elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ge",
"In",
"S"
] | 5 | A2B2C | Ge2InS2 | In1 Ge2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
3.45065683,
-0.00000142,
0.00000204
],
[
-1.72532906,
4.15914136,
0.89027949
],
[
0.00000521,
3.31902992,
9.34861362
]
] | agm005958214 | [
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0
],
[
1.725331843702882,
4.844511235040066,
4.714852990150279
],
[
0.0000011362971177191552,
2.6336586249599336,
5.524042159849722
],
[
1.7253329931020343,
1.4064237095022278,
2.3574241892909087
],
[
0.000001712227025804483,
6.07174199... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"In",
"Ge",
"Ge",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.3787476,
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0.00000178
],
[
-0.000001,
1.7187289,
0.11163119
],
[
0.00000178,
0.11163132,
1.5003097
]
] | -21.041984 | [
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[
0,
-0.0029856,
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[
0,
0.0029856,
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[
0,
-0.00103246,
0.00344952
],
[
0,
0.00103246,
-0.00344952
]
] | 0 | 1.033697 | pbe | true | 61fb23d074db92166f63b6c15145c8a8_12_In1Ge2S2 |
[
"Ge",
"In",
"Sr"
] | 4 | A2BC | GeIn2Sr | Sr1 In2 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
4.6831255,
0,
0
],
[
2.34156275,
4.05570565,
0
],
[
2.34156275,
1.35190189,
6.26025556
]
] | agm001925951 | [
[
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[
0,
0,
0
],
[
2.3415651149783776,
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1.082216325899982
],
[
7.024685885021623,
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5.1780392341000185
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Ge",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.4842675,
0,
0
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[
0,
2.4842675,
0
],
[
0,
0,
2.4075835
]
] | -12.573355 | [
0,
0,
0,
0
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0,
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0
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[
0,
0,
0
],
[
0,
0,
0.00041043
],
[
0,
0,
-0.00041043
]
] | -0.000013 | 1.415055 | pbe | true | 0b4c7eab8f9f91945906e4ed343e6af6_166_Sr1In2Ge1 |
[
"Ir",
"P"
] | 4 | A3B | IrP3 | P3 Ir1 | 2 | [
1,
1,
1
] | 3 | [
[
3.78932688,
0,
0
],
[
0,
4.4579348,
-0.02196281
],
[
0,
2.23299849,
3.85885327
]
] | agm004314524 | [
[
0,
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[
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3.078591704572257
],
[
0,
3.345466645,
1.9184452300000001
],
[
1.89466344,
1.3224140180082056,
0.7582987554277429
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ir",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
1.3828528,
0,
0
],
[
0,
1.2639436,
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],
[
0,
-0.16741127,
1.3177437
]
] | -25.409083 | [
0,
0,
0,
0
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0,
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[
0,
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],
[
0,
0,
0
],
[
0,
-0.0001993,
0.00025971
]
] | 0.000002 | 0.944187 | pbe | true | 8dd4eaf195644f5fd9f71c5a686729e4_65_P3Ir1 |
[
"Ir",
"Pa"
] | 4 | A3B | IrPa3 | Pa3 Ir1 | 2 | [
1,
1,
1
] | 3 | [
[
5.24383159,
0,
0
],
[
0,
3.1811001,
0
],
[
0,
0,
5.24381335
]
] | agm001828683 | [
[
2.621915795,
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0
],
[
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1.856134498612824,
2.621906675
],
[
0,
0.265652174233953,
2.621906675
],
[
0,
1.855190952512163,
0
]
] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Pa",
"Pa",
"Pa",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
2.7444048,
0,
0
],
[
0,
2.789721,
0
],
[
0,
0,
2.7573438
]
] | -38.651617 | [
0,
0,
0,
0
] | [
[
0,
0.00242063,
0
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[
0,
-0.00207684,
0
],
[
0,
-0.00223049,
0
],
[
0,
0.00188669,
0
]
] | 0.000013 | 7.310222 | pbe | true | 2811e96ff71f440cb4cafa76baecbd08_123_Pa3Ir1 |
[
"La",
"Re"
] | 4 | A3B | LaRe3 | La1 Re3 | 2 | [
1,
1,
1
] | 3 | [
[
4.84286507,
0,
0
],
[
0,
4.84286507,
0
],
[
0,
0,
4.84286507
]
] | agm004341281 | [
[
0,
0,
0
],
[
0,
0,
2.421432535
],
[
0,
2.421432535,
0
],
[
2.421432535,
0,
0
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
"La",
"Re",
"Re",
"Re"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
7.0747085,
0,
0
],
[
0,
7.0747085,
0
],
[
0,
0,
7.0747085
]
] | -25.639036 | [
-0.015,
0.764,
0.764,
0.764
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.592652 | 7.343088 | pbe | true | cd4ae948ea61465383b4919749b691c8_221_La1Re3 |
[
"Lu",
"Rh"
] | 4 | AB | LuRh | Lu2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
3.33933215,
0,
0
],
[
0,
4.54289405,
0
],
[
-1.66966608,
0,
5.17013606
]
] | agm002180766 | [
[
1.6696660713950888,
1.1357235125,
3.727576691254459
],
[
-1.3950883845867686e-9,
3.4071705375,
1.4425593687455407
],
[
1.669666090788785,
1.1357235125,
0.9387685408230725
],
[
-2.0788784808001122e-8,
3.4071705375,
4.231367519176928
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Lu",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
5.8021984,
0,
0
],
[
0,
5.8809958,
0
],
[
0,
0,
5.734988
]
] | -27.343521 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00684439
],
[
0,
0,
-0.00684439
],
[
0,
0,
-0.00504861
],
[
0,
0,
0.00504861
]
] | -0.000122 | 1.326092 | pbe | true | bf99ce2fe4704fdbfe679610e4db97d2_63_Lu2Rh2 |
[
"La",
"Nb",
"O",
"Te"
] | 36 | A6BCD | LaNbO6Te | La4 Nb4 O24 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
6.68736112,
0.00978145,
1.54923357
],
[
-0.29291708,
7.3737333,
1.34810099
],
[
-0.01181794,
-0.01293084,
10.90005329
]
] | mp-557784 | [
[
4.828699232889281,
6.347559747985151,
7.730096814329101
],
[
4.266507395287808,
5.275894557966521,
3.701920486674602
],
[
1.55392686711072,
1.0230241620148481,
6.0672910356709
],
[
2.116118704712193,
2.0946893520334786,
10.0954673633254
],
[
5.29... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"La",
"La",
"La",
"La",
"Nb",
"Nb",
"Nb",
"Nb",
"Te",
"Te",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-03-06 05:14:51 | [
0.1111111111111111,
0.1111111111111111,
0.6666666666666666,
0.1111111111111111
] | [] | -278.426432 | [
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0,
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0,
0,
0,
0,
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 3.773248 | pbe | true | d5fe3e1b1aaa167a4eb5dcce9155877d_2_La4Nb4Te4O24 |
[
"La",
"Nb",
"Os",
"Ta"
] | 5 | A2BCD | LaNbOs2Ta | La1 Ta1 Nb1 Os2 | 4 | [
1,
1,
1
] | 3 | [
[
4.43140101,
0,
0
],
[
0,
4.43140101,
0
],
[
-2.21570051,
-2.21570051,
5.4238199
]
] | agm005022667 | [
[
0,
0,
0
],
[
-2.4999999848063226e-9,
2.2157005025,
2.71190995
],
[
2.2157005025,
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2.71190995
],
[
2.2157004816374943,
2.2157004816374943,
1.307684225368577
],
[
1.8362506235552456e-8,
1.8362506235552456e-8,
4.116135... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}] | [
"La",
"Ta",
"Nb",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
7.8678384,
0,
-1e-8
],
[
0,
7.8678384,
0
],
[
-1e-8,
0,
8.139871
]
] | -50.606841 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01355571
],
[
0,
0,
0.01355571
]
] | 0.000003 | 3.343144 | pbe | true | c5c0768871fac46562ae2608830ad79a_119_La1Ta1Nb1Os2 |
[
"Mg",
"Ti"
] | 5 | A4B | MgTi4 | Mg1 Ti4 | 2 | [
1,
1,
1
] | 3 | [
[
4.7426921,
0,
0
],
[
0,
4.7426921,
0
],
[
0,
0,
4.7426921
]
] | agm006182012 | [
[
2.37134605,
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2.37134605
],
[
0,
0,
0
],
[
2.37134605,
0,
2.37134605
],
[
0,
2.37134605,
2.37134605
],
[
2.37134605,
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0
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Mg",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
] | [
[
2.8065622,
0,
0
],
[
0,
2.8065622,
0
],
[
0,
0,
2.8065622
]
] | -26.514981 | [
0.039,
1.082,
0.412,
0.412,
0.412
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.261412 | 9.053848 | pbe | true | 663d693237b42f41946d6ad89eb52e3f_221_Mg1Ti4 |
[
"Ge",
"La",
"Pu"
] | 8 | A2BC | Ge2LaPu | La2 Pu2 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
4.03411514,
0,
0
],
[
0,
5.9928257,
0
],
[
0,
0,
8.41315391
]
] | agm005770531 | [
[
0,
0.8214171420154749,
5.737533883942817
],
[
0,
5.171408557984525,
1.5309569289428162
],
[
2.01705757,
2.1823930722438343,
2.6706990882036856
],
[
2.01705757,
3.8104326277561658,
6.877276043203686
],
[
0,
3.675013284767579,
4.49059131756... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"La",
"La",
"Pu",
"Pu",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.8569744,
0,
0
],
[
0,
1.6605521,
0
],
[
0,
0,
1.6610471
]
] | -61.85062 | [
0.209,
0.209,
5.499,
5.499,
-0.02,
-0.02,
-0.003,
-0.003
] | [
[
0,
0.00269806,
0.00253573
],
[
0,
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0.00253573
],
[
0,
0.00170728,
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],
[
0,
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[
0,
0.00139977,
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],
[
0,
-0.00139977,
-0.00858414
],
[
0,
0.00221717,
... | 13.136004 | 21.57155 | pbe | true | 8651ec16f30086857dc187966a57a8b4_26_La2Pu2Ge4 |
[
"Ge",
"La",
"Rb"
] | 8 | A2BC | GeLa2Rb | Rb2 La4 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
9.24976947,
0,
0
],
[
0,
9.24976947,
0
],
[
4.62488474,
4.62488474,
3.67942538
]
] | agm002833880 | [
[
4.624884735,
4.624884735,
0
],
[
4.6248847375,
9.2497694725,
1.83971269
],
[
0,
0,
0
],
[
9.2497694725,
4.6248847375,
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],
[
6.3215026118103586,
2.31244236875,
0.919856345
],
[
2.9282668606896416,
6.93732710375,
0... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Ge",
"Ge",
"Rb",
"Rb",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
0.6291622,
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0
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[
0,
0.6291622,
0
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[
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0,
0.71457815
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] | -30.20162 | [
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[
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[
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[
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[
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[
0,
0.00725255,
0
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[
0,
-0.00725255,
0
]
] | 0.000399 | 10.24353 | pbe | true | dd52b32c64273e058ae306aeb3cb4268_122_Rb2La4Ge2 |
[
"Mo",
"V"
] | 4 | A3B | Mo3V | V1 Mo3 | 2 | [
1,
1,
1
] | 3 | [
[
4.41501377,
0,
0
],
[
2.20750688,
3.82351408,
0
],
[
2.20750688,
1.27450469,
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]
] | agm002245507 | [
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[
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[
2.2075068825,
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[
6.6225206475,
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Mo",
"Mo",
"Mo",
"V"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
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[
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[
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-1e-8
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[
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] | -42.02077 | [
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[
0,
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[
0,
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[
0,
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0
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] | -0 | 2.065074 | pbe | true | 9c7f1e720870c1a26b68eb60a6954f7b_225_V1Mo3 |
[
"Mo",
"W"
] | 4 | A3B | Mo3W | Mo3 W1 | 2 | [
1,
1,
1
] | 3 | [
[
2.76792357,
0,
0
],
[
-1.38396179,
2.39709213,
0
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[
0,
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] | agm003877141 | [
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[
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[
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Mo",
"Mo",
"Mo",
"W"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
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[
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[
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[
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] | -43.725872 | [
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[
0,
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[
0,
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[
0,
0,
0
]
] | -0 | 4.496002 | pbe | true | e3e403074eab3673423abbd11b241e55_187_Mo3W1 |
[
"N",
"Sm"
] | 4 | AB | NSm | Sm2 N2 | 2 | [
1,
1,
1
] | 3 | [
[
4.6800406,
0,
0
],
[
0,
4.00030209,
0
],
[
0,
0,
16.59001039
]
] | agm2000006394 | [
[
3.1388027031479115,
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[
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[
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[
0.798809500582986,
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] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Sm",
"Sm",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
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[
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0,
0
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[
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0.01019124
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[
0,
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] | -29.695003 | [
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[
0,
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[
0,
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[
0,
-0.0014568,
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],
[
0,
0.0014568,
0.00062655
]
] | -0.000002 | 0.635835 | pbe | true | 4f7e924709bd474c3ec92e2dd3519137_59_Sm2N2 |
[
"N",
"Ta"
] | 3 | A2B | NTa2 | N1 Ta2 | 2 | [
1,
1,
1
] | 3 | [
[
1.55191023,
-2.68798679,
0
],
[
1.55191023,
2.68798679,
0
],
[
0,
0,
4.89035539
]
] | mp-10196 | [
[
1.5519102300000003,
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[
1.5519102300000003,
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[
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] | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"Ta",
"Ta",
"N"
] | 2023-03-11 06:13:55 | [
0.3333333333333333,
0.6666666666666666
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[
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[
0,
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[
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] | -34.46974 | [
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[
0,
0,
0.00016318
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[
0,
0,
-0.00016318
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[
0,
0,
0
]
] | 0 | 7.467141 | pbe | true | d45092864403e753bf28a74af4be44ac_164_Ta2N1 |
[
"Ge",
"La",
"S"
] | 4 | A2BC | GeLaS2 | La1 Ge1 S2 | 3 | [
1,
1,
1
] | 3 | [
[
2.42176491,
0,
8.19785296
],
[
-1.21088246,
2.09730993,
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],
[
-1.21088246,
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]
] | agm002780033 | [
[
0,
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[
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[
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[
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12.296779440000002
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"Ge",
"S",
"S",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
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[
0,
2.8297453,
0
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[
0,
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2.7818317
]
] | -21.835928 | [
0,
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0
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[
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[
0,
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-0.0037341
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[
0,
0,
0.0037341
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[
0,
0,
0
]
] | 0.000001 | 1.97934 | pbe | true | 3bd743f927adf5a90aa8e913bdf27487_166_La1Ge1S2 |
[
"N",
"Tb"
] | 4 | AB | NTb | Tb2 N2 | 2 | [
1,
1,
1
] | 3 | [
[
3.93506394,
-0.00168457,
0
],
[
0.00197804,
4.61949546,
0
],
[
0,
0,
16.45790405
]
] | agm2000011474 | [
[
0.08675629638518019,
0.6610408683484184,
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[
2.0552426064849465,
2.9699183340469926,
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[
2.0544445057240246,
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Tb",
"Tb",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.09998479,
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0
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[
-0.00000287,
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0
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[
0,
0,
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]
] | -29.90276 | [
0,
0,
0,
0
] | [
[
-0.00210025,
9e-7,
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[
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9e-7,
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[
0.00210025,
-9e-7,
-0.00300019
],
[
0.00210025,
-9e-7,
0.00300019
]
] | 0 | 0.448481 | pbe | true | 416495204d414185f167d87a575e88fc_59_Tb2N2 |
[
"Ge",
"La",
"Sr"
] | 4 | A2BC | Ge2LaSr | Sr1 La1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
3.7796661,
0,
0
],
[
0,
5.38652171,
0
],
[
0,
0,
5.38652171
]
] | agm001241839 | [
[
1.88983305,
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2.693260855
],
[
0,
0,
2.693260855
],
[
0,
2.693260855,
0
],
[
1.88983305,
0,
0
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Ge",
"Ge",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.3530831,
0,
0
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[
0,
1.0948788,
0
],
[
0,
0,
1.0948788
]
] | -17.950718 | [
0,
0,
0,
0
] | [
[
0,
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0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.29603 | pbe | true | 832e230339842fd4f4be223a976b392f_123_Sr1La1Ge2 |
[
"N",
"Te"
] | 3 | A2B | N2Te | Te1 N2 | 2 | [
1,
1,
1
] | 3 | [
[
2.86807734,
-0.16485907,
-1.06236994
],
[
-0.2780632,
2.81910603,
-1.16781118
],
[
-1.86453462,
-1.71637091,
11.68291665
]
] | agm005541634 | [
[
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[
1.3491083264201118,
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],
[
-0.8173932817244647,
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5.129734515494715
]
] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Te",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
0.37193516,
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[
-0.13515155,
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],
[
-0.47060144,
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1.2148628
]
] | -19.468667 | [
0,
0,
0
] | [
[
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[
0.00423326,
0.0041805,
0.00954131
],
[
-0.00473289,
-0.00335731,
-0.00947056
]
] | 0 | 0.610039 | pbe | true | 1774e41e951a23b8b5a0b66d23ab3770_5_Te1N2 |
[
"Ge",
"La",
"Sr"
] | 4 | A2BC | Ge2LaSr | Sr1 La1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
5.36707722,
0,
0
],
[
2.68353861,
4.64802522,
0
],
[
2.68353861,
1.54934174,
4.3822002
]
] | agm002277334 | [
[
8.05061583,
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3.28665015
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[
0,
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0
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[
5.36707722,
3.09868348,
2.1911001
],
[
2.68353861,
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1.09555005
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Ge",
"Ge",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
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0
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[
0,
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]
] | -17.898174 | [
0,
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] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.464026 | pbe | true | 6013d630ab500dc9efad0848eae31ff0_225_Sr1La1Ge2 |
[
"Na",
"P"
] | 4 | A3B | Na3P | Na3 P1 | 2 | [
1,
1,
1
] | 3 | [
[
6.10279812,
0.01971753,
0
],
[
-2.16144112,
2.88496978,
0
],
[
0,
0,
19.27589196
]
] | agm2000005930 | [
[
0.233087831650154,
2.87146107884948,
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[
1.3121434623960642,
1.4274961737836827,
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[
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],
[
3.2840024803874592,
2.881461950999147,
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]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"Na",
"Na",
"Na"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
0.09236805,
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[
0.07016012,
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[
-0.00053062,
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]
] | -9.431395 | [
0,
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0
] | [
[
0.00001602,
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[
0.00057187,
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[
0.00064512,
0.00002592,
0.00882827
],
[
-0.00123301,
-0.00104331,
0.00017719
]
] | 0.000002 | 0.956357 | pbe | true | 4f867974a367c9d9e479f9e5935460bd_47_Na3P1 |
[
"Ni",
"Ta"
] | 4 | AB | NiTa | Ni1 Ta1 | 2 | [
1,
1,
1
] | 3 | [
[
4.409057,
0,
0
],
[
0,
2.804727,
0
],
[
0,
0,
4.637019
]
] | oqmd-4120704 | [
[
1.1022600000000002,
0,
0.840569999999999
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[
3.3067900000000003,
0,
3.796450000000001
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[
3.3067900000000003,
1.4023599999999994,
1.3623099999999992
],
[
1.1022600000000002,
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3.2747100000000007
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"Ni",
"Ni",
"Ta",
"Ta"
] | 2024-11-01 00:00:00 | [
0.5,
0.5
] | [
[
2.60153,
0,
0
],
[
0,
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0
],
[
0,
0,
19.19115
]
] | -35.4807 | [
0.03,
0.03,
0.046,
0.046
] | [
[
0,
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[
0,
0,
0.003259
],
[
0,
0,
0.057872
],
[
0,
0,
-0.057872
]
] | 0.183699 | null | pbe | true | 4db7e4c99cac13395389f5e1bf950754_51_Ta2Ni2 |
[
"La",
"Nd",
"Pr",
"Y"
] | 20 | A6B2CD | La2Nd6PrY | La4 Pr2 Nd12 Y2 | 4 | [
1,
1,
1
] | 3 | [
[
9.61014772,
-2.2386862,
-2.32325088
],
[
0.70990695,
8.72573536,
-2.06518426
],
[
0.70990695,
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8.64320234
]
] | agm004977610 | [
[
5.488490425230793,
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3.3919817625282858
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[
0.7363973347692072,
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3.272015806965812
],
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"La",
"La",
"La",
"La",
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"Pr",
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"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
1.0656041,
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],
[
-0.0095355,
1.0455111,
0.00490405
],
[
-0.0098957,
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1.045875
]
] | -97.321975 | [
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0,
0,
0,
0,
0,
0,
0,
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] | [
[
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[
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[
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[
0,
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[
0,
-0.00024728,
0.00023828... | 0.000025 | 30.325499 | pbe | true | 7127fce2ba739212a99d2808db2eb63f_15_La4Pr2Nd12Y2 |
[
"Ge",
"La",
"V"
] | 4 | A2BC | Ge2LaV | La1 V1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.46667781,
3.46667781
],
[
3.46667781,
0,
3.46667781
],
[
3.46667781,
3.46667781,
0
]
] | agm002748533 | [
[
1.733338905,
1.733338905,
1.733338905
],
[
5.200016715,
5.200016715,
5.200016715
],
[
3.46667781,
3.46667781,
3.46667781
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ge",
"Ge",
"La",
"V"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.348258,
0,
0
],
[
0,
4.348258,
0
],
[
0,
0,
4.348258
]
] | -24.121007 | [
-0.013,
-0.013,
0.037,
2.374
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.923987 | 1.508786 | pbe | true | a43be3a15b82dc803c76ec9a348c3162_225_La1V1Ge2 |
[
"Ge",
"Li",
"S"
] | 5 | A3BC | GeLi3S | Li3 Ge1 S1 | 3 | [
1,
1,
1
] | 3 | [
[
4.55476306,
0,
0
],
[
0,
4.55476306,
0
],
[
0,
0,
4.55476306
]
] | agm002516175 | [
[
2.27738153,
2.27738153,
2.27738153
],
[
0,
0,
0
],
[
0,
2.27738153,
0
],
[
0,
0,
2.27738153
],
[
2.27738153,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Ge",
"S",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.7623544,
0,
0
],
[
0,
1.7623544,
0
],
[
0,
0,
1.7623544
]
] | -16.643892 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 2.771049 | pbe | true | 3e97e73d12b671a72a1c18af110b7957_221_Li3Ge1S1 |
[
"Ge",
"La",
"Zn"
] | 5 | A3BC | Ge3LaZn | La1 Zn1 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
5.72299738,
0,
0
],
[
0,
5.72299738,
0
],
[
0,
0,
5.72299738
]
] | agm002627232 | [
[
0,
2.86149869,
0
],
[
0,
0,
2.86149869
],
[
2.86149869,
0,
0
],
[
2.86149869,
2.86149869,
2.86149869
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Ge",
"Ge",
"Ge",
"Zn",
"La"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.4817526,
0,
0
],
[
0,
0.4817526,
0
],
[
0,
0,
0.4817526
]
] | -15.104279 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 5.232552 | pbe | true | f26d2c866459f24e71cb2ef18a10c7f0_221_La1Zn1Ge3 |
[
"Be",
"Cr",
"Ir"
] | 5 | A3BC | BeCr3Ir | Be1 Cr3 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.7020121,
0,
0
],
[
0,
4.7020121,
0
],
[
0,
0,
4.7020121
]
] | agm002414385 | [
[
0,
2.35100605,
0
],
[
0,
0,
2.35100605
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[
2.35100605,
0,
0
],
[
0,
0,
0
],
[
2.35100605,
2.35100605,
2.35100605
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Cr",
"Cr",
"Cr",
"Ir",
"Be"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
2.9730003,
0,
0
],
[
0,
2.9730003,
0
],
[
0,
0,
2.9730003
]
] | -33.836663 | [
3.195,
2.737,
3.464,
-0.26,
-0.082
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 9.763912 | 5.791839 | pbe | true | 7153790c268bd9dc809030d1ad07dae6_221_Be1Cr3Ir1 |
[
"Cs",
"N"
] | 8 | A3B | Cs3N | Cs6 N2 | 2 | [
1,
1,
1
] | 3 | [
[
17.26513185,
0,
0
],
[
-8.63256593,
14.95204278,
0
],
[
0,
0,
7.57931936
]
] | agm1000019342 | [
[
6.27733113494602,
6.342393540843499,
0.20611398129887362
],
[
4.315922290638512,
9.740178426967274,
0.20656282859137282
],
[
2.3547944386238524,
6.343796191976691,
0.20762279640386883
],
[
2.3597499623331832,
8.616249070839592,
3.9973233289352192
],
... | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
-0.08683531,
0.00136401,
0.00253542
],
[
0.00136401,
-0.08896816,
0.0007515
],
[
0.00253542,
0.0007515,
0.03399895
]
] | -17.849262 | [
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.304,
0.303
] | [
[
0.00077589,
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-0.00002432
],
[
0.00102216,
0.00168976,
-0.00020518
],
[
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-0.00074433
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[
-0.00174808,
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-0.0014065
],
[
0.00053879,
-0.00118469,
-0.00122901
],
[
0.00152414,
0.00... | 0.437044 | 9.868397 | pbe | true | 9b0591dd236d1b7545450d756d2c135a_174_Cs6N2 |
[
"La",
"Nd",
"Tb",
"Tm"
] | 12 | A2B2CD | LaNdTb2Tm2 | La2 Tb4 Nd2 Tm4 | 4 | [
1,
1,
1
] | 3 | [
[
3.57307961,
0,
0
],
[
0,
16.07435175,
0
],
[
0,
0,
7.00256715
]
] | agm004741038 | [
[
0,
0,
0
],
[
1.786539805,
8.037175875,
3.501283575
],
[
1.786539805,
13.50644271295159,
1.760799851459133
],
[
1.786539805,
2.567909037048413,
5.241767298540867
],
[
0,
10.605084912048413,
5.2620834264591325
],
[
0,
5.46926683... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"La",
"La",
"Tb",
"Tb",
"Tb",
"Tb",
"Nd",
"Nd",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.3333333333333333
] | [
[
0.682666,
0,
0
],
[
0,
0.72670144,
0
],
[
0,
0,
0.68799484
]
] | -53.667495 | [
0,
0,
0.001,
0.001,
0.001,
0.001,
0,
0,
0.001,
0.001,
0.001,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00726705,
-0.00249405
],
[
0,
0.00726705,
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[
0,
0.00726705,
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[
0,
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0.00249405
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,... | 0.011843 | 19.479156 | pbe | true | 26157e03a7d27539d187886eaa902066_58_La2Tb4Nd2Tm4 |
[
"Be",
"I",
"Mg"
] | 5 | A3BC | BeIMg3 | Mg3 Be1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
5.62134766,
0,
0
],
[
0,
5.62134766,
0
],
[
0,
0,
5.62134766
]
] | agm002423988 | [
[
0,
0,
0
],
[
2.81067383,
2.81067383,
2.81067383
],
[
0,
2.81067383,
0
],
[
0,
0,
2.81067383
],
[
2.81067383,
0,
0
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"Be",
"Mg",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.018488,
0,
0
],
[
0,
1.018488,
0
],
[
0,
0,
1.018488
]
] | -4.441682 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 7.022196 | pbe | true | 4e27dfd271d1bfee31570f21778382e2_221_Mg3Be1I1 |
[
"Be",
"Cr",
"Mn"
] | 10 | A2B2C | Be2CrMn2 | Mn4 Be4 Cr2 | 3 | [
1,
1,
1
] | 3 | [
[
5.83087604,
0,
0
],
[
0,
5.83087604,
0
],
[
0,
0,
2.80098506
]
] | agm002960457 | [
[
0,
0,
0
],
[
2.91543802,
2.91543802,
0
],
[
1.0230381632649552,
3.938476183264955,
1.40049253
],
[
3.938476183264955,
4.807837876735045,
1.40049253
],
[
4.807837876735045,
1.8923998567350446,
1.40049253
],
[
1.8923998567350446,
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Cr",
"Cr",
"Mn",
"Mn",
"Mn",
"Mn",
"Be",
"Be",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
12.457722,
0,
0
],
[
0,
12.457722,
0
],
[
0,
0,
9.612365
]
] | -71.189235 | [
0,
0,
0.001,
-0.001,
-0.001,
0.001,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0.0027731,
0.0027731,
0
],
[
0.0027731,
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0
],
[
-0.0027731,
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0
],
[
-0.0027731,
0.0027731,
0
],
[
0.00909655,
0.00909655,
0
],
[
0.00909655,
-0.00... | -0.00002 | 10.576092 | pbe | true | eab3e21b58aa2cfece793e308b5161b7_127_Mn4Be4Cr2 |
[
"Np",
"Pd"
] | 5 | A4B | NpPd4 | Np1 Pd4 | 2 | [
1,
1,
1
] | 3 | [
[
4.95384059,
0,
0
],
[
0,
4.95384059,
0
],
[
0,
0,
4.95384059
]
] | agm006185998 | [
[
2.476920295,
2.476920295,
2.476920295
],
[
0,
0,
0
],
[
2.476920295,
0,
2.476920295
],
[
0,
2.476920295,
2.476920295
],
[
2.476920295,
2.476920295,
0
]
] | [{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Np",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
] | [
[
5.683456,
0,
0
],
[
0,
5.683456,
0
],
[
0,
0,
5.683456
]
] | -28.857361 | [
3.453,
0.006,
-0.051,
-0.051,
-0.051
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.511847 | 8.348196 | pbe | true | d553ddbee36bfa10406ee02923abeaaf_221_Np1Pd4 |
[
"La",
"Ni",
"O",
"Re"
] | 50 | A16B5C3D | La5NiO16Re3 | La10 Ni2 O32 Re6 | 4 | [
1,
1,
1
] | 3 | [
[
-7.96207288,
-0.00792808,
0.68415277
],
[
-0.0105174,
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0.02458069
],
[
3.96819981,
-4.01137564,
9.91521153
]
] | mp-698001 | [
[
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5.478336000059364
],
[
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[
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[
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0.0... | 3.59 | 7.529054 | pbe | true | 1a07d0c4d5822608542fa9440b3ce561_2_La10Re6Ni2O32 |
[
"La",
"Ni",
"O",
"Se"
] | 20 | A12B4C3D | LaNi3O12Se4 | La1 Ni3 Se4 O12 | 4 | [
1,
1,
1
] | 3 | [
[
6.717467,
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[
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[
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[
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2.93636014... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
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"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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] | -104.199149 | [
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[
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... | 5.576744 | 5.910779 | pbe | true | ede7de419e0cac84e51df0f2b208d1ba_155_La1Ni3Se4O12 |
[
"Ge",
"Li",
"Mg"
] | 7 | A4B2C | GeLi2Mg4 | Li2 Mg4 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.10850869,
0
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[
2.55425434,
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]
] | agm001076058 | [
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[
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... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Ge",
"Mg",
"Mg",
"Mg",
"Mg",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
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[
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[
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]
] | -13.253665 | [
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[
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[
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0
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[
0,
0,
0.00450149
],
[
0,
0,
-0.00450149
]
] | -0.000001 | 3.837758 | pbe | true | a070d390ace51128a80728a252418e64_139_Li2Mg4Ge1 |
[
"La",
"Ni",
"Os",
"Si"
] | 5 | A2BCD | LaNiOsSi2 | La1 Si2 Ni1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.07125485,
0,
0
],
[
0,
4.07125485,
0
],
[
-2.03562742,
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] | agm005018759 | [
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[
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[
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[
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2.0356274275,
2.6... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"La",
"Si",
"Si",
"Ni",
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] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
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0,
0
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[
0,
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0
],
[
0,
0,
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] | -36.395694 | [
0,
0,
0,
0,
0
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[
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0
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[
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[
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000085 | 1.769926 | pbe | true | 6e60b5260203e76d8f6fe36c94365856_119_La1Si2Ni1Os1 |
[
"Be",
"Cr",
"Sb"
] | 4 | A2BC | BeCr2Sb | Be1 Cr2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.02882098,
3.02882098
],
[
3.02882098,
0,
3.02882098
],
[
3.02882098,
3.02882098,
0
]
] | agm002644171 | [
[
3.02882098,
3.02882098,
3.02882098
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[
0,
0,
0
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[
1.51441049,
1.51441049,
1.51441049
],
[
4.54323147,
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4.54323147
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Sb",
"Be",
"Cr",
"Cr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
8.779998,
0
],
[
0,
0,
8.779998
]
] | -25.511425 | [
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2.092,
2.092
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.460864 | 2.699226 | pbe | true | 6bf8fc7605d84156c39112d8c3adcf28_225_Be1Cr2Sb1 |
[
"O",
"Rb"
] | 4 | AB | ORb | Rb2 O2 | 2 | [
1,
1,
1
] | 3 | [
[
4.26725602,
0,
0
],
[
2.13362801,
4.69450978,
0.04729928
],
[
2.13362801,
0.74516723,
4.63523301
]
] | agm002170258 | [
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6.4008840299999985,
2.2218161411543695,
2.9198165169806978
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[
2.13362801,
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[
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1.2116000792519812
],
[
4.26725602,
4.032166567307211,
3.4709322107480194
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"O",
"O",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.2844136,
0,
0
],
[
0,
1.6959544,
0.2903386
],
[
0,
0.2903386,
1.608596
]
] | -15.830049 | [
0,
0,
0,
0
] | [
[
0,
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0.0007482
],
[
0,
0.00064405,
-0.0007482
],
[
0,
-0.00161981,
-0.00139435
],
[
0,
0.00161981,
0.00139435
]
] | 0 | 0 | pbe | true | 59b372451104c45fb4e8777a6e733956_71_Rb2O2 |
[
"Pb",
"Rb"
] | 4 | AB | PbRb | Rb2 Pb2 | 2 | [
1,
1,
1
] | 3 | [
[
4.80152921,
0,
0
],
[
0,
6.35225826,
0
],
[
-2.40076461,
-3.17612913,
5.79230596
]
] | agm003294239 | [
[
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4.76419051887087,
1.1162203374022233
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[
2.4007622001989315,
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[
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1.5880677728904216,
1.9581376272250044
],
[
0.0000023734472512362527,
1.5880613571095792,
3.8341683327... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Rb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
2.478664,
0,
0
],
[
0,
2.3330524,
0
],
[
0,
0,
2.297978
]
] | -9.916387 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0.00098442
],
[
0,
0,
-0.00454584
],
[
0,
0,
0.00454584
]
] | -0 | 1.877064 | pbe | true | 01acf17923282dada874df0ac2a6acb1_74_Rb2Pb2 |
[
"Ge",
"Ir",
"S"
] | 5 | A2B2C | Ge2Ir2S | Ge2 Ir2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
-2.290883252,
2.290883252,
4.195377286
],
[
2.290883252,
-2.290883252,
4.195377286
],
[
2.290883252,
2.290883252,
-4.195377286
]
] | oqmd-6295626 | [
[
-2.16914645971134e-17,
2.16914645971134e-17,
2.76608
],
[
-6.256953613595126e-17,
6.256953613595126e-17,
5.62467
],
[
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2.0731276809104145e-17
],
[
2.29088,
1.0184233846617154e-16,
2.0731276809104145e-17
],
[
0,
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"Ge",
"Ge",
"Ir",
"Ir",
"S"
] | 2024-11-01 00:00:00 | [
0.4,
0.4,
0.2
] | [
[
46.62949951,
0,
0
],
[
0,
46.62949951,
0
],
[
0,
0,
0.68160688
]
] | -28.8918 | [
0,
0,
0.001,
0.001,
0
] | [
[
0,
0,
-0.051116
],
[
0,
0,
0.051116
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000325 | null | pbe | true | 26ed20c4dc88f110d2f9ed753f4c6604_139_Ge2Ir2S1 |
[
"Be",
"In",
"Te"
] | 4 | A2BC | BeInTe2 | Be1 In1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
3.3040627,
0,
0
],
[
0,
3.3040627,
0
],
[
0,
0,
9.82551355
]
] | agm004074518 | [
[
0,
0,
4.569596194530017
],
[
0,
0,
9.648588082138673
],
[
1.65203135,
1.65203135,
3.4738725111032713
],
[
1.65203135,
1.65203135,
6.871727087228039
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Be",
"Te",
"Te",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.10274607,
0,
0
],
[
0,
0.10274607,
0
],
[
0,
0,
0.37387744
]
] | -11.493242 | [
0,
0,
0,
0
] | [
[
0,
0,
0.01212399
],
[
0,
0,
-0.00077097
],
[
0,
0,
-0.00112145
],
[
0,
0,
-0.01023156
]
] | 0 | 2.901368 | pbe | true | 025195e8acedf2a431b6c385bd8a1f11_99_Be1In1Te2 |
[
"Ge",
"Ir",
"Sr"
] | 4 | A2BC | Ge2IrSr | Ge2 Ir1 Sr1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.432332201,
3.432332201
],
[
3.432332201,
0,
3.432332201
],
[
3.432332201,
3.432332201,
0
]
] | oqmd-5571686 | [
[
0,
0,
0
],
[
5.148500000000004,
5.148500000000004,
5.148500000000004
],
[
1.7161700000000035,
1.7161700000000035,
1.7161700000000035
],
[
3.432329999999999,
3.432329999999999,
3.432329999999999
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Ge",
"Ge",
"Ir",
"Sr"
] | 2024-11-01 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
10.21379847,
0,
0
],
[
0,
10.21379847,
0
],
[
0,
0,
10.21379847
]
] | -19.1743 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.001146 | null | pbe | true | ddec90ab4d9fc55adb10914e0d3c9157_216_Sr1Ge2Ir1 |
[
"In",
"Li",
"Mg"
] | 4 | A2BC | In2LiMg | Li1 Mg1 In2 | 3 | [
1,
1,
1
] | 3 | [
[
4.46879277,
0,
0
],
[
0,
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[
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] | agm003192376 | [
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] | 0 | 1.497261 | pbe | true | 717c4664dfca04cc528966f5eb7bc984_123_Li1Mg1In2 |
[
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1,
1
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4.41523337858289... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
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[
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-0.002365... | 0.626757 | 10.411711 | pbe | true | b13a91646fb8852db4d5617e64a7f12d_225_Sr2La1Pd1O6 |
[
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1,
1,
1
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[
3.52857725,
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[
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] | 0 | 0.860464 | pbe | true | ea590fc28623b61afb2aa56adea638fb_2_Si2Pt2 |
[
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1,
1,
1
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] | 0.000666 | 2.431375 | pbe | true | b62bc3492a4768c43d83bf9c50de3731_123_Zr1Be2In1 |
[
"In",
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1,
1,
1
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[
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[
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0.008292... | 0 | 5.548463 | pbe | true | 380ea408d77e34c3b108cde08fa329ec_1_In4Sn3O12 |
[
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1,
1,
1
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[
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[
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"Re",
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] | -0 | 1.476066 | pbe | true | 6b267f26ec0d54042c7b2fdd56faaa8f_71_Zn3Re1 |
[
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1,
1,
1
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0
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[
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[
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[
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-0.0000015... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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[
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[
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[
"In",
"Rh",
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] | 4 | A2BC | In2RhV | V1 In2 Rh1 | 3 | [
1,
1,
1
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[
0,
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[
3.27375369,
0,
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[
3.27375369,
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] | agm002749154 | [
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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[
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] | -22.25851 | [
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2.257
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[
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[
0,
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] | 2.602262 | 2.003734 | pbe | true | 98d3c5dfa7da1f73920993d8580d08c1_225_V1In2Rh1 |
[
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"K",
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] | 5 | A3BC | GeK3Rh | K3 Ge1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.85545976,
0
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[
0,
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] | agm002500084 | [
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ge",
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] | 2023-11-16 06:57:59 | [
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[
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] | -11.225045 | [
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[
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[
0,
0,
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[
0,
0,
0
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] | 2.185172 | 2.16571 | pbe | true | 071e858084f2ba37a98f81896edc2198_221_K3Ge1Rh1 |
[
"Cs",
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] | 11 | A8B3 | Cs3Rb8 | Cs3 Rb8 | 2 | [
1,
1,
1
] | 3 | [
[
7.41673704,
-0.00000148,
0.00000558
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[
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[
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] | agm005536128 | [
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[
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3.7009369... | [{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
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"Rb",
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] | 2023-11-16 06:57:59 | [
0.2727272727272727,
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[
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[
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] | -10.262024 | [
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0,
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[
0,
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... | -0.000001 | 10.287549 | pbe | true | f17d909bc11aab79d457b7936b004648_12_Cs3Rb8 |
[
"Cs",
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] | 5 | A4B | CsRh4 | Cs1 Rh4 | 2 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.87662323,
0
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[
0,
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] | agm006186633 | [
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[
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1
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[
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[
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[
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1
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1
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[
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[
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0.00... | -0.00007 | 13.286178 | pbe | true | 87007f27698dcf09227236af0704c5a6_217_Si8Rh8 |
[
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1
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[
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0
],
[
0,
0,
0
],
[
0,
0,
-0.0070923
],
[
0,
0,
0.0070923
]
] | 0.000005 | 4.555662 | pbe | true | 6e9d58b7db0107f9bdccf2ec730875d4_187_Rh1W3 |
[
"Lu",
"Rh",
"Sb"
] | 4 | A2BC | LuRh2Sb | Lu1 Sb1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.65342707,
0,
0
],
[
2.32671354,
4.02998606,
0
],
[
2.32671354,
1.34332869,
3.79950729
]
] | agm003162460 | [
[
0,
0,
0
],
[
4.653427075,
2.686657375,
1.899753645
],
[
2.3267135375,
1.3433286875,
0.9498768225
],
[
6.9801406125000005,
4.0299860625,
2.8496304675
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Sb",
"Lu",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.7747517,
0,
0
],
[
0,
6.7747517,
0
],
[
0,
0,
6.7747517
]
] | -26.453972 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000129 | 4.77383 | pbe | true | 85f2ff6938b47f09ae13a5653a00b565_225_Lu1Sb1Rh2 |
[
"Sm",
"Sr"
] | 4 | AB | SmSr | Sr2 Sm2 | 2 | [
1,
1,
1
] | 3 | [
[
3.89096096,
0.05432662,
0
],
[
-0.15665648,
11.16125428,
0
],
[
0,
0,
3.89145429
]
] | agm001417404 | [
[
0.8707937813437232,
7.243716802983375,
0.9728635725
],
[
2.863510698656277,
3.9718640970166255,
2.9185907175
],
[
0.9572909971754832,
1.1254685548856325,
0.9728635725
],
[
2.777013482824517,
10.090112345114369,
2.9185907175
]
] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.97477376,
-0.00049901,
0
],
[
-0.00049913,
1.0925095,
0
],
[
0,
0,
0.9631471
]
] | -12.459591 | [
0,
0,
0,
0
] | [
[
0.00029728,
0.00482382,
0
],
[
-0.00029728,
-0.00482382,
0
],
[
-0.00008295,
-0.00397382,
0
],
[
0.00008295,
0.00397382,
0
]
] | 0.000033 | 5.219039 | pbe | true | d95ec24dddb5459dc10fb968457f6b4a_129_Sr2Sm2 |
[
"Sm",
"Tc"
] | 4 | A3B | Sm3Tc | Sm3 Tc1 | 2 | [
1,
1,
1
] | 3 | [
[
3.67998091,
0,
0
],
[
0,
5.52326267,
0
],
[
-1.83999046,
-2.76163134,
5.4619877
]
] | agm001283399 | [
[
1.8399904499999997,
2.1147744224029505,
5.4619877
],
[
-0.0000018246061654942027,
2.3664184969284774,
3.294250243727469
],
[
-5.00000019165725e-9,
-0.4038031428702449,
5.4619877
],
[
1.8399922746061652,
-0.3952183603029627,
2.167737456272531
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Tc",
"Sm",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
1.7604872,
0,
0
],
[
0,
1.5820646,
0
],
[
0,
0,
1.832529
]
] | -24.130732 | [
0,
0,
0,
0
] | [
[
0,
0.00040395,
0
],
[
0,
-0.00073822,
-0.00399501
],
[
0,
0.00107248,
0
],
[
0,
-0.00073822,
0.00399501
]
] | 0.000001 | 5.251076 | pbe | true | 2e3310eafa8b722a2fab08803f5bd2fe_44_Sm3Tc1 |
[
"Lu",
"Rh",
"Sc"
] | 4 | A2BC | Lu2RhSc | Lu2 Sc1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.40922692,
0,
0
],
[
0,
3.40922692,
0
],
[
0,
0,
8.04852522
]
] | agm001145163 | [
[
1.70461346,
1.70461346,
4.02426261
],
[
0,
0,
6.445952940020469
],
[
0,
0,
1.6025722799795314
],
[
1.70461346,
1.70461346,
0
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Sc",
"Lu",
"Lu",
"Rh"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.4452906,
0,
0
],
[
0,
3.4452906,
0
],
[
0,
0,
3.6384838
]
] | -24.55592 | [
-0.317,
-0.078,
-0.078,
-0.044
] | [
[
0,
0,
0
],
[
0,
0,
0.0001102
],
[
0,
0,
-0.0001102
],
[
0,
0,
0
]
] | -0.793285 | 4.95372 | pbe | true | f96df2ef49aaff3e2fe6da9c1366b033_123_Lu2Sc1Rh1 |
[
"Sm",
"W"
] | 5 | A4B | Sm4W | Sm4 W1 | 2 | [
1,
1,
1
] | 3 | [
[
5.57108151,
0,
0
],
[
0,
5.57108151,
0
],
[
0,
0,
5.57108151
]
] | agm006185686 | [
[
0,
0,
0
],
[
2.785540755,
0,
2.785540755
],
[
0,
2.785540755,
2.785540755
],
[
2.785540755,
2.785540755,
0
],
[
2.785540755,
2.785540755,
2.785540755
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sm",
"Sm",
"Sm",
"Sm",
"W"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
] | [
[
1.450653,
0,
0
],
[
0,
1.450653,
0
],
[
0,
0,
1.450653
]
] | -29.107988 | [
0.001,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00228 | 7.522169 | pbe | true | fb02472dd504fee4c8fab8270c1845f0_221_Sm4W1 |
[
"Tc",
"Tl"
] | 4 | A3B | TcTl3 | Tl3 Tc1 | 2 | [
1,
1,
1
] | 3 | [
[
3.21149969,
0.00181923,
0
],
[
-0.00236948,
3.21149933,
0
],
[
0,
0,
9.47744623
]
] | agm004323819 | [
[
0,
0,
0
],
[
1.604565105,
1.6066592800000001,
7.548015311042039
],
[
0,
0,
4.738723115
],
[
1.604565105,
1.6066592800000001,
1.9294309189579613
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Tc",
"Tl",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
5.232271,
0.02043732,
0
],
[
0.02043732,
5.232324,
0
],
[
0,
0,
5.2408266
]
] | -15.297473 | [
1.536,
-0.01,
-0.021,
-0.01
] | [
[
0,
0,
0
],
[
0,
0,
0.0064204
],
[
0,
0,
0
],
[
0,
0,
-0.0064204
]
] | 1.58626 | 2.554289 | pbe | true | 5433da3bb3ad1b1ba15326f516aa89b3_123_Tl3Tc1 |
[
"Lu",
"Th",
"Tm"
] | 4 | A2BC | LuTh2Tm | Tm1 Lu1 Th2 | 3 | [
1,
1,
1
] | 3 | [
[
3.54533024,
0,
0
],
[
0,
3.54533024,
0
],
[
0,
0,
9.90004583
]
] | agm001162287 | [
[
1.77266512,
1.77266512,
0
],
[
1.77266512,
1.77266512,
4.950022915
],
[
0,
0,
7.4348070047401675
],
[
0,
0,
2.465238825259832
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Tm",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.14032234,
0,
0
],
[
0,
0.14032234,
0
],
[
0,
0,
0.48789522
]
] | -23.695829 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00788769
],
[
0,
0,
-0.00788769
]
] | 0.000001 | 5.178638 | pbe | true | e2c2777b38d0289db264669f3cd2223b_123_Tm1Lu1Th2 |
[
"Ac",
"As",
"Sr"
] | 3 | ABC | AcAsSr | Sr1 Ac1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
5.29474295,
0,
0
],
[
2.64737148,
4.5853819,
0
],
[
2.64737148,
1.52846063,
4.32313952
]
] | agm001239882 | [
[
5.294742955,
3.0569212649999997,
2.16156976
],
[
0,
0,
0
],
[
2.6473714775,
1.5284606324999999,
1.08078488
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"Sr",
"Ac",
"As"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.7597639,
0,
0
],
[
0,
0.7597639,
0
],
[
0,
0,
0.7597639
]
] | -12.554763 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00004 | 3.528076 | pbe | true | 025f915f30d4d2aa946fa50a32ac433a_216_Sr1Ac1As1 |
[
"La",
"P",
"Ru",
"V"
] | 5 | A2BCD | LaP2RuV | La1 V1 P2 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.06015611,
0,
0
],
[
0,
4.06015611,
0
],
[
-2.03007805,
-2.03007805,
5.40287305
]
] | agm005020398 | [
[
0,
0,
0
],
[
2.0300780575,
2.4999999848063226e-9,
2.701436525
],
[
2.030078076675547,
2.030078076675547,
1.4855372883199907
],
[
-1.667554663030265e-8,
-1.667554663030265e-8,
3.9173357616800097
],
[
2.4999999848063226e-9,
2.0300780575,
2.... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"La",
"V",
"P",
"P",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.9644773,
0,
0
],
[
0,
2.9644773,
0
],
[
0,
0,
2.4068801
]
] | -38.972784 | [
0.056,
1.468,
-0.034,
-0.034,
0.147
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00158308
],
[
0,
0,
0.00158308
],
[
0,
0,
0
]
] | 1.866798 | 3.46135 | pbe | true | a343353fd815e5416faafab995b54f85_119_La1V1P2Ru1 |
[
"Ge",
"La",
"Ni"
] | 10 | A5B3C2 | Ge3La2Ni5 | La2 Ni5 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
4.03196732,
0,
0
],
[
0,
4.03196732,
0
],
[
0,
0,
10.57248797
]
] | agm003343037 | [
[
2.01598366,
0,
2.266161942702364
],
[
0,
2.01598366,
8.306326027297635
],
[
2.01598366,
2.01598366,
0
],
[
0,
0,
0
],
[
2.01598366,
0,
9.164681903134724
],
[
0,
2.01598366,
1.407806066865275
],
[
2.01598366,
2.... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"La",
"La",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.3,
0.2,
0.5
] | [
[
-4.6409183,
0,
0
],
[
0,
-4.6409183,
0
],
[
0,
0,
-4.381827
]
] | -56.433731 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00068813
],
[
0,
0,
-0.00068813
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00634908
],
[
0,
0,
-0.00634908
],
[
0,
0,
0
],
[
0,
0,
-0.00640938
],
[
0,
0,
0.00640938
],
... | -0 | 4.801687 | pbe | true | e874a9d30009ee096954d12cc12a137f_115_La2Ni5Ge3 |
[
"Ac",
"As",
"Tc"
] | 3 | ABC | AcAsTc | Ac1 Tc1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
4.57893559,
0,
0
],
[
0,
4.30717825,
0
],
[
0,
-2.15358912,
3.73012578
]
] | agm001270695 | [
[
0.7629841452664485,
0,
0
],
[
3.0521778909713873,
2.153589148202558,
1.2433752475662472
],
[
0.7637735537621645,
-1.8202558132693007e-8,
2.4867505324337524
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"As",
"Ac",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.8223481,
0,
0
],
[
0,
1.7899683,
0
],
[
0,
0,
1.7899683
]
] | -20.37339 | [
0.008,
0.012,
0.285
] | [
[
0.00041752,
0,
0
],
[
0.00096119,
0,
0
],
[
-0.0013787,
0,
0
]
] | 0.376753 | 3.631352 | pbe | true | 11c1950a4981b03a081d4becc688b2fb_187_Ac1Tc1As1 |
[
"Ac",
"Au",
"B"
] | 3 | ABC | AcAuB | Ac1 Au1 B1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.255674,
3.255674
],
[
3.255674,
0,
3.255674
],
[
3.255674,
3.255674,
0
]
] | oqmd-4181035 | [
[
1.627840000000002,
1.627840000000002,
1.627840000000002
],
[
4.883510000000002,
4.883510000000002,
4.883510000000002
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Ac",
"Au",
"B"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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[
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] | -13.695 | [
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[
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[
0,
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] | 0.117587 | null | pbe | true | 6d85e46bfb573636cdda3952f2522230_216_Ac1B1Au1 |
[
"Ac",
"Ba",
"Hg"
] | 3 | ABC | AcBaHg | Ba1 Ac1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.71923211,
0,
0
],
[
2.85961606,
4.9530003,
0
],
[
2.85961606,
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[
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}] | [
"Ac",
"Hg",
"Ba"
] | 2023-11-16 06:57:59 | [
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[
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] | -6.706585 | [
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[
0,
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[
0,
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]
] | 0.014134 | 4.938598 | pbe | true | 50a354684bed1e761cb49a0354b498f6_216_Ba1Ac1Hg1 |
[
"Be",
"Cu",
"Hf"
] | 10 | A2B2C | Be2CuHf2 | Hf4 Be4 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
7.43563056,
0,
0
],
[
0,
7.43563056,
0
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[
0,
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2.85867901
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] | agm002960553 | [
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[
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6.0... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Be",
"Be",
"Be",
"Be",
"Hf",
"Hf",
"Hf",
"Hf",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
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0.4
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[
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[
0,
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[
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] | -59.328918 | [
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[
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[
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[
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0
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[
-0.01611903,
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0
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[
0.01611903,
0.016... | 0 | 6.440274 | pbe | true | c0d19c30741c38f8bb6e7eaba6fe2106_127_Hf4Be4Cu2 |
[
"Be",
"Cu",
"Li"
] | 12 | A8B3C | Be8Cu3Li | Li1 Be8 Cu3 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
-2.13478016,
3.69754775,
0
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[
0,
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6.93952321
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] | agm005983707 | [
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[
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"Li",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Cu",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.25,
0.08333333333333333
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[
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0
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[
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[
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] | -45.013925 | [
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[
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[
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[
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0.00113014,
-0.0021255... | -0.000001 | 1.936369 | pbe | true | fc28a0f915e6cd0020da20e7488e0bd1_156_Li1Be8Cu3 |
[
"Ac",
"Bi",
"Ta"
] | 3 | ABC | AcBiTa | Ac1 Bi1 Ta1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.842538,
3.842538
],
[
3.842538,
0,
3.842538
],
[
3.842538,
3.842538,
0
]
] | oqmd-3249142 | [
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[
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1.9212700000000031
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[
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] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"Ac",
"Bi",
"Ta"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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0,
0
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[
0,
6.6758,
0
],
[
0,
0,
6.6758
]
] | -16.3949 | [
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.54709 | null | pbe | true | 4712e06b8efcdd2fff93e697d7741050_216_Ac1Ta1Bi1 |
[
"In",
"Rh",
"W"
] | 4 | A2BC | In2RhW | In2 Rh1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
2.94606196,
0,
0
],
[
0,
2.94606196,
0
],
[
0,
0,
8.19155945
]
] | agm003830117 | [
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[
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[
1.47303098,
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],
[
1.47303098,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"In",
"In",
"Rh",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0
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[
0,
9.190964,
0
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[
0,
0,
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]
] | -24.848042 | [
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0,
0,
0
] | [
[
0,
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[
0,
0,
-0.01117743
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0.00001 | 2.733729 | pbe | true | d5bcca32487683017a559e407ab4c766_123_In2Rh1W1 |
[
"La",
"Pd",
"Rh",
"Sb"
] | 6 | A2B2CD | LaPdRh2Sb2 | La1 Sb2 Pd1 Rh2 | 4 | [
1,
1,
1
] | 3 | [
[
5.03012227,
0,
0
],
[
0,
5.03012227,
0
],
[
0,
0,
5.57168142
]
] | agm004750176 | [
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0,
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[
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[
0,
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0
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[
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[
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2.515061135,
4.125535126695626
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[
2.515061135,
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1.446146293304375
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"La",
"Sb",
"Sb",
"Pd",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.3333333333333333
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[
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0,
0
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[
0,
4.872872,
0
],
[
0,
0,
4.6256094
]
] | -34.098509 | [
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0,
0
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[
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[
0,
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[
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[
0,
0,
0
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[
0,
0,
-0.00484139
],
[
0,
0,
0.00484139
]
] | 0.00114 | 5.218096 | pbe | true | 7ae14ad7701fe05c96612a784a43a9b0_123_La1Sb2Pd1Rh2 |
[
"La",
"Pd",
"Sm",
"Sn"
] | 12 | A6B3C2D | La2Pd6SmSn3 | La2 Sm1 Sn3 Pd6 | 4 | [
1,
1,
1
] | 3 | [
[
4.11953522,
0,
0
],
[
0,
4.11953522,
0
],
[
0,
0,
17.98303059
]
] | agm004661250 | [
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2.05976761,
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[
2.05976761,
2.05976761,
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[
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[
0,
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12.745057702486175
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[
0,
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[
0,
... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"La",
"La",
"Sm",
"Sn",
"Sn",
"Sn",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.08333333333333333,
0.25
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[
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0,
0
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[
0,
3.394728,
0
],
[
0,
0,
3.4945164
]
] | -64.309925 | [
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0,
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[
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[
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[
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[
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[
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[
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[
0,
0,
0.00635474
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[
0,
0,
-0.006354... | -0.000006 | 8.340413 | pbe | true | 490c74c308b397a3df00d087e03218da_123_La2Sm1Sn3Pd6 |
[
"La",
"Pd",
"Sn",
"Tb"
] | 12 | A6B3C2D | La2Pd6Sn3Tb | La2 Tb1 Sn3 Pd6 | 4 | [
1,
1,
1
] | 3 | [
[
4.12327558,
0,
0
],
[
0,
4.12327558,
0
],
[
0,
0,
17.82491027
]
] | agm004661257 | [
[
2.06163779,
2.06163779,
3.2959128944851175
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[
2.06163779,
2.06163779,
14.528997375514882
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[
2.06163779,
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5.236700176127084
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[
0,
0,
12.588210093872915
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[
0,
0,
0
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[
0,
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"La",
"La",
"Tb",
"Sn",
"Sn",
"Sn",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.25,
0.08333333333333333
] | [
[
3.8222432,
0,
0
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[
0,
3.8222432,
0
],
[
0,
0,
3.983464
]
] | -64.372124 | [
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0,
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] | [
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[
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[
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[
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[
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[
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[
0,
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[
0,
0,
0.00397618
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[
0,
0,
-0.0039... | -0.000001 | 7.662092 | pbe | true | c8bc3f65c6f54dd8a6f61bd2da1c6f3e_123_La2Tb1Sn3Pd6 |
[
"Be",
"Cu",
"Ru"
] | 4 | A2BC | BeCuRu2 | Be1 Cu1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.4533498,
-0.03284318,
2e-8
],
[
1.4221846,
4.22028365,
2e-8
],
[
-2.93776546,
-2.09371899,
2.61137482
]
] | agm004365491 | [
[
0,
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0
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[
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1.30568743
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[
2.22667577,
-0.016420967500000216,
1.30568743
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[
2.9377671999999997,
2.0937202349999997,
2e-8
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Ru",
"Ru",
"Cu",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-4.16997,
-0.02485764,
-0.00000277
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[
-0.02485764,
-4.152807,
-0.00000197
],
[
-0.00000277,
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-4.1351013
]
] | -25.9974 | [
0,
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0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 3.054037 | pbe | true | bf051a35453c5e8c32234d7b544b6f34_119_Be1Cu1Ru2 |
[
"La",
"Pm",
"Pr",
"Tb"
] | 12 | A2B2CD | LaPm2PrTb2 | La2 Tb4 Pm4 Pr2 | 4 | [
1,
1,
1
] | 3 | [
[
3.57743255,
0,
0
],
[
0,
16.5357873,
0
],
[
0,
0,
7.07747676
]
] | agm004741325 | [
[
0,
0,
0
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[
1.788716275,
8.26789365,
3.53873838
],
[
1.788716275,
2.594150516695554,
1.7691155332329214
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[
0,
10.862044166695553,
1.7696228467670785
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[
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[
0,
5.6737431... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"La",
"La",
"Tb",
"Tb",
"Tb",
"Tb",
"Pm",
"Pm",
"Pm",
"Pm",
"Pr",
"Pr"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
0.3333333333333333
] | [
[
0.728373,
0,
0
],
[
0,
0.69415313,
0
],
[
0,
0,
0.76184446
]
] | -55.077566 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00183673,
0.00219698
],
[
0,
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],
[
0,
0.00183673,
-0.00219698
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[
0,
0.00183673,
0.00219698
],
[
0,
-0.00325701,
-0.00005845
],
[
0,
0.00... | 0.000146 | 18.949226 | pbe | true | f3a1d6882c2d54de1226488075bb3e9f_58_La2Tb4Pm4Pr2 |
[
"La",
"Pm",
"S",
"Te"
] | 5 | A2BCD | LaPmS2Te | La1 Pm1 Te1 S2 | 4 | [
1,
1,
1
] | 3 | [
[
4.58178308,
0,
0
],
[
0,
4.58178308,
0
],
[
-2.29089154,
-2.29089154,
7.11429789
]
] | agm005015449 | [
[
2.2908915422943075e-8,
2.2908915422943075e-8,
1.9977364661546566
],
[
2.290891517091085,
2.290891517091085,
5.057475757009315
],
[
2.2908915629089153,
2.2908915629089153,
0.0000882884368149
],
[
2.29089154,
-7.705247490585521e-17,
3.586654784068986
],
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"La",
"Pm",
"Te",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.29730472,
0,
0
],
[
0,
0.29730472,
0
],
[
0,
0,
0.10266652
]
] | -29.719208 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00199386
],
[
0,
0,
-0.00452238
],
[
0,
0,
0.0038135
],
[
0,
0,
0.00135137
],
[
0,
0,
0.00135137
]
] | 0 | -0.001513 | pbe | true | 73be6d16dcb93f95241d01fd4ddbe9d0_107_La1Pm1Te1S2 |
[
"Be",
"Cu",
"Sc"
] | 4 | A2BC | Be2CuSc | Sc1 Be2 Cu1 | 3 | [
1,
1,
1
] | 3 | [
[
3.74848352,
0.00346428,
-0.00036967
],
[
1.87377748,
3.24655182,
-0.00036967
],
[
1.86497484,
1.0780713,
4.43170263
]
] | agm004048406 | [
[
1.87180896,
1.08202185,
1.1077408225
],
[
1.8656224707926292,
1.078445671675605,
3.7474646599253165
],
[
3.7429702892073706,
2.163669328324395,
2.899719615074684
],
[
5.61542688,
3.24606555,
3.3232224675
]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Be",
"Be",
"Cu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-3.4476924,
-0.1403496,
-0.25402012
],
[
-0.1403496,
-3.2860298,
-0.14683941
],
[
-0.25402045,
-0.1468396,
-3.3830583
]
] | -18.267428 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00034707,
-0.00020063,
-0.00542545
],
[
0.00034707,
0.00020063,
0.00542545
],
[
0,
0,
0
]
] | 0.000115 | 2.787655 | pbe | true | d0f3d27e8952fc10c329729f93fc62bb_166_Sc1Be2Cu1 |
[
"La",
"Pm",
"Se",
"Te"
] | 5 | A2BCD | LaPmSe2Te | La1 Pm1 Te1 Se2 | 4 | [
1,
1,
1
] | 3 | [
[
4.72420489,
0,
0
],
[
0,
4.72420489,
0
],
[
-2.36210245,
-2.36210245,
7.30517022
]
] | agm005015311 | [
[
-1.3503516596015834e-9,
-1.3503516596015834e-9,
1.972909805073275
],
[
2.3621024650212825,
2.3621024650212825,
5.259345538564946
],
[
2.3621024449884147,
2.3621024449884147,
0.016926809916762
],
[
2.362102442480835,
-2.519165307174453e-9,
3.6805864118668... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"La",
"Pm",
"Te",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.8567156,
0,
0
],
[
0,
0.8567156,
0
],
[
0,
0,
0.5211827
]
] | -27.26707 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00358948
],
[
0,
0,
-0.00470218
],
[
0,
0,
0.00250412
],
[
0,
0,
-0.0006957
],
[
0,
0,
-0.0006957
]
] | 0.000001 | -0.038854 | pbe | true | 31c82a199ab8b5e87c3ec75bf9396733_107_La1Pm1Te1Se2 |
[
"Ir",
"Nd",
"Ru"
] | 4 | A2BC | IrNd2Ru | Nd2 Ru1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.54901019,
0,
0
],
[
0,
3.54901019,
0
],
[
0,
0,
6.98726076
]
] | agm001121375 | [
[
1.774505095,
1.774505095,
0
],
[
1.774505095,
1.774505095,
3.49363038
],
[
0,
0,
5.253671616147389
],
[
0,
0,
1.733589143852611
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Ru",
"Ir",
"Nd",
"Nd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.2785487,
0,
0
],
[
0,
3.2785487,
0
],
[
0,
0,
3.401901
]
] | -28.899489 | [
0,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00534883
],
[
0,
0,
-0.00534883
]
] | 0.001242 | 2.851165 | pbe | true | 0dfa5da06ab886900b963427b0b9d34d_123_Nd2Ru1Ir1 |
[
"La",
"Pm",
"Sm",
"Y"
] | 20 | A6B2CD | LaPmSm6Y2 | La2 Pm2 Sm12 Y4 | 4 | [
1,
1,
1
] | 3 | [
[
9.14292835,
-1.92490034,
-1.997612
],
[
0.92817073,
8.70077584,
-1.90485951
],
[
0.92817073,
-2.22601284,
8.6242018
]
] | agm004970098 | [
[
3.2139028175,
1.7512212991187017,
3.8286243343215034
],
[
7.785366992500001,
2.798641360881298,
0.8931059556784963
],
[
3.2139028175,
7.751590705952055,
-1.9533358753452132
],
[
7.7853669925,
-3.201728045952055,
6.675066165345213
],
[
1.355295677... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"La",
"La",
"Pm",
"Pm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Y",
"Y",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
[
1.2010024,
-0.00690499,
-0.00716582
],
[
-0.00690511,
1.1863799,
-0.0239177
],
[
-0.00716595,
-0.0239177,
1.1846058
]
] | -99.459039 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00074158,
-0.00071459
],
[
0,
-0.00074158,
0.00071459
],
[
0,
0.00090767,
-0.00087463
],
[
0,
-0.00090767,
0.00087463
],
[
-0.00123253,
-0.00159504,
0.0011211
],
[
0.00123253,
-0.00117944,
0.00155239
],
[
0.00... | 0.000002 | 27.54979 | pbe | true | 655f39292c180bf671d538d3eb8818be_15_La2Pm2Sm12Y4 |
[
"Be",
"Fe",
"Pt"
] | 8 | A2BC | BeFePt2 | Be2 Fe2 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
3.81922915,
0,
0
],
[
0,
3.81922915,
0
],
[
1.90961458,
1.90961458,
8.14056873
]
] | agm002800600 | [
[
1.909614575,
1.909614575,
0
],
[
1.9096145775,
3.8192291525,
4.070284365
],
[
0,
0,
0
],
[
3.8192291525,
1.9096145775,
4.070284365
],
[
2.8227496816099773,
0.95480728875,
2.0351421825
],
[
0.9964794708900225,
2.864421863749999... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Be",
"Be",
"Fe",
"Fe",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.320889,
0,
0
],
[
0,
7.320889,
0
],
[
0,
0,
-1.4344207
]
] | -47.864049 | [
-0.07,
-0.07,
2.901,
2.891,
0.169,
0.17,
0.178,
0.173
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00302905,
0,
0
],
[
-0.00302905,
0,
0
],
[
0,
-0.00302905,
0
],
[
0,
0.00302905,
0
]
] | 6.269326 | 5.706511 | pbe | true | d067401e63e57f6b93e46f326602d1e8_122_Be2Fe2Pt4 |
[
"Be",
"Fe",
"Zn"
] | 4 | A2BC | BeFe2Zn | Be1 Fe2 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.801221,
2.801221
],
[
2.801221,
0,
2.801221
],
[
2.801221,
2.801221,
0
]
] | oqmd-2291681 | [
[
1.4006000000000027,
1.4006000000000027,
1.4006000000000027
],
[
0,
0,
0
],
[
4.2018200000000006,
4.2018200000000006,
4.2018200000000006
],
[
2.8012199999999976,
2.8012199999999976,
2.8012199999999976
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Be",
"Fe",
"Fe",
"Zn"
] | 2024-11-01 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
25.59063,
0,
0
],
[
0,
25.59063,
0
],
[
0,
0,
25.59063
]
] | -21.5176 | [
-0.068,
1.952,
1.974,
-0.049
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.78893 | null | pbe | true | 2e11fb80f4cde93e1317821bfc4b7e91_216_Be1Zn1Fe2 |
[
"Be",
"Ga",
"Sc"
] | 4 | A2BC | BeGaSc2 | Sc2 Be1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
3.25092032,
0,
0
],
[
0,
3.25092032,
0
],
[
0,
0,
6.54130959
]
] | agm001136460 | [
[
0,
0,
5.025062023843045
],
[
0,
0,
1.5162475661569548
],
[
1.62546016,
1.62546016,
0
],
[
1.62546016,
1.62546016,
3.270654795
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Be",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.0483823,
0,
0
],
[
0,
2.0483823,
0
],
[
0,
0,
2.2821364
]
] | -20.815073 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00169275
],
[
0,
0,
0.00169275
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000044 | 2.305394 | pbe | true | 296719c4b258196b2227765715cfe7a9_123_Sc2Be1Ga1 |
[
"La",
"Pm",
"Th",
"Tm"
] | 10 | A2BCD | LaPmThTm2 | La2 Pm2 Tm4 Th2 | 4 | [
1,
1,
1
] | 3 | [
[
5.767795,
0,
0
],
[
0,
5.86391587,
2.35828114
],
[
0,
-0.48880143,
9.61813708
]
] | agm004997417 | [
[
1.44194875,
4.341558748148937,
3.5950837060731153
],
[
4.32584625,
1.033555691851062,
8.381334513926886
],
[
1.44194875,
2.8273663228221046,
7.069905952302311
],
[
4.32584625,
2.547748117177895,
4.906512267697689
],
[
4.32584625,
4.8232217308... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"La",
"La",
"Pm",
"Pm",
"Tm",
"Tm",
"Tm",
"Tm",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.5890394,
0,
0
],
[
0,
0.5680311,
-0.01375835
],
[
0,
-0.01375831,
0.63840264
]
] | -51.542534 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.0037429,
0.00151982
],
[
0,
0.0037429,
-0.00151982
],
[
0,
0.0020887,
-0.00464317
],
[
0,
-0.0020887,
0.00464317
],
[
0,
0.00272157,
-0.00257306
],
[
0,
0.00186964,
0.00294761
],
[
0,
-0.00272157,
0.0... | 0.000002 | 16.03148 | pbe | true | 1323db9a91e6ca3d9902d4353eb67c14_11_La2Pm2Tm4Th2 |
[
"Al",
"Hf",
"Ir"
] | 4 | A2BC | AlHfIr2 | Hf1 Al1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
3.54186112,
0,
0
],
[
0,
4.22452304,
0
],
[
0,
0,
4.22452304
]
] | agm001197140 | [
[
0,
0,
2.11226152
],
[
0,
2.11226152,
0
],
[
1.77093056,
0,
0
],
[
1.77093056,
2.11226152,
2.11226152
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Hf",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.643279,
0,
0
],
[
0,
5.5482326,
0
],
[
0,
0,
5.5482326
]
] | -35.176551 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003 | 2.157748 | pbe | true | a0f9a12f3a0fc0fab5f325afc09179e4_123_Hf1Al1Ir2 |
[
"La",
"Pr",
"Sc",
"Tb"
] | 10 | A2BCD | LaPr2ScTb | La2 Tb2 Pr4 Sc2 | 4 | [
1,
1,
1
] | 3 | [
[
6.75512315,
0,
0
],
[
0,
7.67819084,
1.42142221
],
[
0,
-1.16097237,
6.25721627
]
] | agm004996537 | [
[
2.0462134703650148,
2.9683661425,
5.4036233075
],
[
4.708909679634986,
3.5488523275,
2.2750151725
],
[
4.0231012059297555,
-0.2902430925,
1.5643040675
],
[
2.7320219440702442,
-0.8707292775000001,
4.6929122025
],
[
5.270346406117684,
4.563262... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"La",
"La",
"Tb",
"Tb",
"Pr",
"Pr",
"Pr",
"Pr",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.0314819,
0,
0
],
[
0,
1.152725,
0.0064089
],
[
0,
0.0064089,
1.1167809
]
] | -49.178498 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00483236,
0,
0
],
[
-0.00483236,
0,
0
],
[
-0.00126977,
0,
0
],
[
0.00126977,
0,
0
],
[
0.00463305,
0.00403287,
0.00074658
],
[
0.00463305,
-0.00403287,
-0.00074658
],
[
-0.00463305,
0.00403287,
0.0007465... | 0.000001 | 11.006907 | pbe | true | 8d1c0e5d01a90b32a12b8a86eadb0edc_51_La2Tb2Pr4Sc2 |
[
"Be",
"Gd",
"Os"
] | 4 | A2BC | BeGd2Os | Gd2 Be1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.87048627,
0,
0
],
[
2.43524313,
4.21796484,
0
],
[
2.43524313,
1.40598828,
3.97673538
]
] | agm001087470 | [
[
4.870486265,
2.8119765599999997,
1.98836769
],
[
2.4352431325,
1.4059882799999999,
0.994183845
],
[
7.3057293974999995,
4.21796484,
2.982551535
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Be",
"Gd",
"Gd",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.03572037,
0,
0
],
[
0,
0.03572037,
0
],
[
0,
0,
0.03572037
]
] | -43.143068 | [
-0.024,
7.01,
7.01,
-0.202
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 13.98346 | 3.315909 | pbe | true | 01d46d2616f730268d044dfdd4ef7a96_225_Gd2Be1Os1 |
[
"Ir",
"Ni",
"Pb"
] | 4 | A2BC | Ir2NiPb | Ni1 Ir2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.17183742,
3.17183742
],
[
3.17183742,
0,
3.17183742
],
[
3.17183742,
3.17183742,
0
]
] | agm002715283 | [
[
3.17183742,
3.17183742,
3.17183742
],
[
0,
0,
0
],
[
1.58591871,
1.58591871,
1.58591871
],
[
4.757756130000001,
4.757756130000001,
4.757756130000001
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Pb",
"Ni",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-3.0039613,
0,
0
],
[
0,
-3.0039613,
0
],
[
0,
0,
-3.0039613
]
] | -25.322556 | [
-0.009,
0.614,
0.252,
0.252
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.084801 | 5.580987 | pbe | true | 1107e9a2abbb4db87e7507b66ce6545c_225_Ni1Ir2Pb1 |
[
"Be",
"H",
"Mn"
] | 4 | A2BC | BeHMn2 | Mn2 Be1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
2.47691815,
0,
0
],
[
0,
2.47691815,
0
],
[
0,
0,
5.50657481
]
] | agm001131537 | [
[
1.238459075,
1.238459075,
2.753287405
],
[
0,
0,
4.341373393040602
],
[
0,
0,
1.1652014169593985
],
[
1.238459075,
1.238459075,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}] | [
"Be",
"Mn",
"Mn",
"H"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
13.33241,
0,
0
],
[
0,
13.33241,
0
],
[
0,
0,
13.702682
]
] | -24.469046 | [
-0.067,
1.78,
1.78,
-0.02
] | [
[
0,
0,
0
],
[
0,
0,
0.00992235
],
[
0,
0,
-0.00992235
],
[
0,
0,
0
]
] | 3.552525 | 3.352874 | pbe | true | f9e5a5c88f4db35dea083f2407489111_123_Mn2Be1H1 |
[
"Ir",
"Ni",
"Pt"
] | 3 | ABC | IrNiPt | Ni1 Ir1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
2.72996829,
0,
0
],
[
-1.36498414,
2.36422189,
0
],
[
0,
0,
6.44834838
]
] | agm003159704 | [
[
-1.0316508236692242e-8,
1.5761479345474063,
2.107394535557338
],
[
0,
0,
0.11028565095875338
],
[
1.3649841603165083,
0.7880739554525936,
4.230668129000425
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Ni",
"Ir",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-5.129513,
0,
0
],
[
0,
-5.129513,
0
],
[
0,
0,
-5.1289907
]
] | -20.621409 | [
-0.002,
0,
0
] | [
[
0,
0,
0.00209632
],
[
0,
0,
-0.00338205
],
[
0,
0,
0.00128573
]
] | -0.002111 | 4.518481 | pbe | true | 7d47fdbbf096e199cd3762cb62ae5c13_156_Ni1Ir1Pt1 |