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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"C",
"N",
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] | 22 | A6B4C | C4NTh6 | Th12 C8 N2 | 3 | [
1,
1,
1
] | 3 | [
[
7.4694103,
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0.01815333
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[
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[
0.08090859,
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]
] | agm006061605 | [
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1.4424688939238224
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[
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5.176966340448494
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... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": n... | [
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"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
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"N"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
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[
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0.0... | -0.000005 | 13.116856 | pbe | true | f5e89c283535c1f5c19134cee2b9d213_167_Th12C8N2 |
[
"C",
"Ni",
"Sm"
] | 8 | A4B3C | C4NiSm3 | Sm3 Ni1 C4 | 3 | [
1,
1,
1
] | 3 | [
[
3.66494424,
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[
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] | agm002139717 | [
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[
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-0.78505085259... | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "C", "attached":... | [
"Ni",
"C",
"C",
"C",
"C",
"Sm",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.5,
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0.375
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0.02580688,
0.01429875,
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[
0.00554208,
0.00372963,
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],
... | 0 | 5.332757 | pbe | true | 268dd12fe1c1d6f10011c8a8be162adc_2_Sm3Ni1C4 |
[
"C",
"Ni",
"Sn"
] | 5 | A2B2C | C2Ni2Sn | Ni2 Sn1 C2 | 3 | [
1,
1,
1
] | 3 | [
[
3.73365917,
0,
0
],
[
0,
3.73365917,
0
],
[
1.86682959,
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] | agm002913828 | [
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[
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3.1525115658883203
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[
0,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "C", "attached":... | [
"Ni",
"Ni",
"C",
"C",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
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[
0,
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0
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[
0,
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]
] | -30.161457 | [
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[
0,
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[
0,
0,
0.00071111
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[
0,
0,
0
]
] | 0.000086 | 2.762861 | pbe | true | 6a6e19949a01e0bcaaaaa5fe4f946f73_139_Ni2Sn1C2 |
[
"C",
"Np",
"Pb"
] | 8 | A2BC | CNp2Pb | Np4 Pb2 C2 | 3 | [
1,
1,
1
] | 3 | [
[
3.30718097,
0,
0
],
[
-1.65359048,
2.86410273,
0
],
[
0,
0,
17.71809251
]
] | agm002258795 | [
[
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[
1.6535905032025715,
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16.251450825345987
],
[
-1.32025715596942e-8,
1.9094018295470092,
1.4666416846540151
... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "C", "attached":... | [
"Np",
"Np",
"Np",
"Np",
"Pb",
"Pb",
"C",
"C"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
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[
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[
0,
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0
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[
0,
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]
] | -76.457783 | [
3.313,
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3.313,
3.313,
-0.058,
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[
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[
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 13.58482 | 23.307682 | pbe | true | b7ad7290aa159b56f82b3c5bc568d1b2_194_Np4Pb2C2 |
[
"C",
"O",
"Zr"
] | 8 | A2BC | CO2Zr | Zr2 C2 O4 | 3 | [
1,
1,
1
] | 3 | [
[
6.31447846,
0,
0
],
[
0,
6.31447846,
0
],
[
3.15723923,
3.15723923,
4.58901794
]
] | agm002807329 | [
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3.15723923,
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0
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3.15723923,
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[
6.00428766189536,
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1.147254485
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[
4.735858845,
3.4674300281046406,
3.441763455
],
[
7.8930980749... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "C", "attached": n... | [
"C",
"C",
"O",
"O",
"O",
"O",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.1447921,
0,
0
],
[
0,
1.1447921,
0
],
[
0,
0,
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]
] | -58.724461 | [
0.957,
0.96,
0.019,
0.021,
0.016,
0.017,
-0.001,
-0.001
] | [
[
0,
0,
0
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[
0,
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[
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[
0.00303295,
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[
0,
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0
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[
0,
-0.00303295,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4 | 2.407076 | pbe | true | dbcb5eb06d5dccd9b3de1d32c4738bc6_122_Zr2C2O4 |
[
"C",
"Os",
"Sm"
] | 20 | A2B2C | C2OsSm2 | Sm8 Os4 C8 | 3 | [
1,
1,
1
] | 3 | [
[
5.2988541,
0,
0
],
[
0,
6.51660138,
0
],
[
0,
0,
10.02941969
]
] | agm005941939 | [
[
3.974140575,
4.507088221003773,
5.509664715527406
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[
1.324713525,
5.2678138489962265,
0.49495487052740694
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[
1.324713525,
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4.519754974472592
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[
3.974140575,
1.2487875310037737,
9.534464819472593
],
[
3.974140575,
0.13... | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "C", "attached":... | [
"Sm",
"Sm",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Os",
"Os",
"Os",
"Os",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
0.1836506,
0,
0
],
[
0,
0.16673042,
0
],
[
0,
0,
0.2172566
]
] | -162.384271 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
0,
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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,
-0.00006024,
... | 0.000005 | 8.105083 | pbe | true | d277a9114a1c327a3c362aec0ccd2850_62_Sm8Os4C8 |
[
"C",
"Os",
"Rb"
] | 5 | A3BC | C3OsRb | Rb1 Os1 C3 | 3 | [
1,
1,
1
] | 3 | [
[
4.11693703,
0,
0
],
[
0,
4.11693703,
0
],
[
0,
0,
4.11693703
]
] | agm002427620 | [
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[
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2.058468515,
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0
],
[
0,
0,
0
],
[
2.058468515,
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2.058468515
]
] | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"C",
"C",
"Os",
"Rb"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.5380884,
0,
0
],
[
0,
0.5380884,
0
],
[
0,
0,
0.5380884
]
] | -31.451204 | [
0.357,
0.563,
0.21,
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0.046
] | [
[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.912377 | 2.578356 | pbe | true | 4deb99554d673a1d8b11aae4b8a074b3_221_Rb1Os1C3 |
[
"C",
"Pb",
"Sn"
] | 8 | A2BC | CPbSn2 | Sn4 Pb2 C2 | 3 | [
1,
1,
1
] | 3 | [
[
3.33690483,
0,
0
],
[
0,
7.41406702,
0
],
[
0,
0,
10.16905646
]
] | agm002050214 | [
[
0,
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0,
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],
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[
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[
1.668452415,
2.120438440698061,
5.514081987881539
],
[
1.668452415,
5.293628579301939,
... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "C", "attached":... | [
"Pb",
"Pb",
"C",
"C",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -35.410123 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
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[
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[
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[
0,
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0.00355222
],
[
0,
0.00109325,
0.00355222
],
[
0,
-0.00... | 0 | 2.363232 | pbe | true | 9a19c1a760cf55ea7d8016c3f5244e25_38_Sn4Pb2C2 |
[
"C",
"Pm",
"Se"
] | 10 | A5B4C | CPm5Se4 | Pm5 C1 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
4.07470819,
0,
-0.57424872
],
[
-0.08092843,
4.07390412,
-0.57424872
],
[
0.03868905,
0.03946452,
15.0181406
]
] | agm006091345 | [
[
0.33883469075375877,
0.3456323699316528,
2.404289795940581
],
[
1.99688988,
2.03695206,
-0.57424872
],
[
3.693634119246241,
3.767736270068347,
11.46535336405942
],
[
1.2026828905213582,
1.2268110352079904,
8.533897350085255
],
[
2.829785919478641... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "C", "attached":... | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"C",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.1,
0.5,
0.4
] | [
[
0.01798985,
0.00022811,
0.00158678
],
[
0.00022811,
0.01799891,
0.00161861
],
[
0.00158678,
0.00161861,
0.02902553
]
] | -61.768998 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00015788,
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],
[
0,
0,
0
],
[
-0.00015788,
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[
0.00036273,
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],
[
-0.00036273,
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-0.00257384
],
[
0,
0,
0
],
[
-0.00011065,
-0.00... | -0.000026 | 3.978035 | pbe | true | 8f22f06c57b93caccbd983fe0a6eeede_139_Pm5C1Se4 |
[
"C",
"Re",
"Rh"
] | 4 | A2BC | CRe2Rh | Re2 Rh1 C1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.9571954,
2.9571954
],
[
2.9571954,
0,
2.9571954
],
[
2.9571954,
2.9571954,
0
]
] | agm002654444 | [
[
1.4785977,
1.4785977,
1.4785977
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[
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[
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] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "C", "attached":... | [
"Re",
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] | 2023-11-16 06:57:59 | [
0.25,
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] | -36.618383 | [
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[
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] | -0.000001 | 2.947655 | pbe | true | 26e97723a287304fe1cf4166c34dee16_225_Re2Rh1C1 |
[
"C",
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] | 5 | A3BC | CRh3U | U1 Rh3 C1 | 3 | [
1,
1,
1
] | 3 | [
[
4.2208501,
0,
0
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[
0,
4.2208501,
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[
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] | agm002202670 | [
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] | [{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "C", "attached": n... | [
"Rh",
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0.2,
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] | -43.109261 | [
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] | 2.753251 | 6.071451 | pbe | true | d8ae8556f5876ddcd250ad912a688175_221_U1Rh3C1 |
[
"C",
"Sm",
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1,
1,
1
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[
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[
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4.416... | [{"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"]}, {"mass": null, "name": "C", "attached":... | [
"Sm",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
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"Sn",
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] | 2023-11-16 06:57:59 | [
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[... | -0.000006 | 4.90621 | pbe | true | 9b13d11dc56b8cd0e500e8abdda4060d_65_Sm7Sn3C2 |
[
"C",
"Sn",
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] | 8 | A2BC | CSnYb2 | Yb4 Sn2 C2 | 3 | [
1,
1,
1
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0,
0
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[
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[
... | [{"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "C", "attached":... | [
"C",
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] | 2023-11-16 06:57:59 | [
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] | -31.679904 | [
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] | 2.473319 | 4.562243 | pbe | true | 3e2711b371cc98443ffbb2f259bee2c5_194_Yb4Sn2C2 |
[
"C",
"Sr",
"Ta"
] | 5 | A3BC | CSr3Ta | Sr3 Ta1 C1 | 3 | [
1,
1,
1
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[
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0,
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[
0,
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "C", "attached":... | [
"Sr",
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] | 2023-11-16 06:57:59 | [
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[
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] | -15.141287 | [
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[
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[
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] | 0.857786 | 8.079625 | pbe | true | e7467ca8e0d18568d6555eac398bb436_221_Sr3Ta1C1 |
[
"C",
"Ta",
"Tl"
] | 12 | A3B2C | C2Ta3Tl | Ta6 Tl2 C4 | 3 | [
1,
1,
1
] | 3 | [
[
3.15495659,
0,
0
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[
-1.5774783,
2.73227256,
0
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[
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[
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11.35732125684283... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "C", "attached":... | [
"Tl",
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"C",
"C",
"C",
"C",
"Ta",
"Ta",
"Ta",
"Ta",
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] | 2023-11-16 06:57:59 | [
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... | -0.000002 | 3.108984 | pbe | true | 49cb387d9a765ed6351016650257d358_194_Ta6Tl2C4 |
[
"C",
"Te",
"Zn"
] | 5 | A2B2C | CTe2Zn2 | Zn2 Te2 C1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.12376588,
0
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[
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] | agm002913877 | [
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[
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[
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] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "C", "attached":... | [
"Zn",
"Zn",
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"Te",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4
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[
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[
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] | -12.227801 | [
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[
0,
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[
0,
0,
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] | 1.999968 | 2.86865 | pbe | true | dcc338eff727c5a1f849e36329b33710_139_Zn2Te2C1 |
[
"Ca",
"Cd",
"Sr"
] | 12 | A4BC | CaCdSr4 | Sr8 Ca2 Cd2 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
-2.69723315,
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0
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[
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] | agm003751174 | [
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[
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"Sr",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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] | -20.011838 | [
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[
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-0.000... | 0.001405 | 14.008966 | pbe | true | efb47c79f56ef78be50c35e12c1f9fdf_15_Sr8Ca2Cd2 |
[
"Ca",
"Cd",
"Y"
] | 4 | A2BC | CaCdY2 | Ca1 Y2 Cd1 | 3 | [
1,
1,
1
] | 3 | [
[
6.82406544,
-0.00884332,
0.00479088
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[
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3.61752072,
0.00479088
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[
2.24333268,
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5.02456793
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] | agm003173202 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Ca",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
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] | -16.333466 | [
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[
0,
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[
0,
0,
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] | 0.000012 | 5.177398 | pbe | true | 3ff3e1296cd78d96a7ea85df6fe4018c_71_Ca1Y2Cd1 |
[
"Ca",
"Ce",
"Zn"
] | 12 | A10BC | CaCeZn10 | Ca1 Ce1 Zn10 | 3 | [
1,
1,
1
] | 3 | [
[
4.26219392,
0,
0
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[
0,
5.35696701,
0
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[
0,
0,
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] | agm005594561 | [
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[
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[
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0,
4.661803... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ca",
"Ce",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
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0.8333333333333334
] | [
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[
0,
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[
0,
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] | -23.498354 | [
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0,
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[
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[
0,
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[
0,
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],
... | 0.645802 | 8.728567 | pbe | true | 8d97ce60eb3f77dd01acaeed4978dbe4_47_Ca1Ce1Zn10 |
[
"Ca",
"Cl",
"Li"
] | 4 | A2BC | CaClLi2 | Li2 Ca1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.36993355,
0,
0
],
[
0,
3.36993355,
0
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[
0,
0,
8.72022723
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] | agm003946458 | [
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2.1800568075
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[
0,
0,
8.036282978312547
],
[
0,
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5.044057866687455
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached"... | [
"Ca",
"Cl",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
-0.08314771,
0
],
[
0,
0,
0.31167746
]
] | -10.300566 | [
0,
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0,
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] | [
[
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0.00363591
]
] | 0.000126 | 2.722989 | pbe | true | fab9036aef1c07e3ca1172f7b57644f2_123_Li2Ca1Cl1 |
[
"Ca",
"Co",
"Pb"
] | 8 | A2BC | CaCoPb2 | Ca2 Co2 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
4.99757977,
0,
0
],
[
0,
4.99757977,
0
],
[
2.49878988,
2.49878988,
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]
] | agm002811312 | [
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4.154649083571189,
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[
6.24697470875,
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[
2.498789885,
2.49... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ca", "attached"... | [
"Pb",
"Pb",
"Pb",
"Pb",
"Ca",
"Ca",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.0155225,
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[
0,
4.0155225,
0
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[
0,
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2.5266428
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] | -30.461807 | [
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0.001,
0.003,
0.003,
0.004,
1.512,
1.496
] | [
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[
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[
0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | 3.013739 | 17.877962 | pbe | true | a0c733d37628b63bef4404d6e1dc63eb_122_Ca2Co2Pb4 |
[
"Ca",
"Co",
"Pt"
] | 4 | A2BC | Ca2CoPt | Ca2 Co1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80305286,
0,
0
],
[
2.40152643,
4.15956579,
0
],
[
2.40152643,
1.38652193,
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] | agm004090314 | [
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[
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[
4.80305286,
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1.96083812
],
[
7.204579290000001,
4.15956579,
2.94125718
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pt", "attached"... | [
"Ca",
"Ca",
"Co",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.011864,
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0
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[
0,
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[
0,
0,
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] | -17.18266 | [
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1.37,
0.093
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.061474 | 7.119117 | pbe | true | fc9f3a35866b5bdb7f350610efe6ecec_216_Ca2Co1Pt1 |
[
"Ca",
"Dy",
"Nd"
] | 13 | A8B4C | CaDy4Nd8 | Ca1 Nd8 Dy4 | 3 | [
1,
1,
1
] | 3 | [
[
5.06006656,
-0.0000046,
1.05757888
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[
2.83304416,
5.57640875,
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],
[
-0.79789147,
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16.45173364
]
] | agm006052560 | [
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[
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Nd", "attached"... | [
"Ca",
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"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Dy",
"Dy",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.07692307692307693,
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0.6153846153846154
] | [
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[
0.0047175,
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0.31261474
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] | -58.076441 | [
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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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[
-0.0003544,
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0.00169566
],
[... | 0.000001 | 19.252108 | pbe | true | 5bf39af3bb4fe14920569e1d24e0399f_12_Ca1Nd8Dy4 |
[
"Ca",
"Fe",
"P"
] | 4 | A2BC | CaFe2P | Ca1 Fe2 P1 | 3 | [
1,
1,
1
] | 3 | [
[
3.93205585,
-0.01732273,
0.02857447
],
[
1.98110505,
3.39655503,
0.02857447
],
[
1.9368845,
1.10688391,
5.10611382
]
] | agm004187422 | [
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1.9626313370349489,
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[
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[
3.9191172009635036,
2.239683251085395,
3.4828341033791843
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "P", "attached":... | [
"Ca",
"Fe",
"Fe",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.6012504,
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[
-0.06502058,
3.677869,
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],
[
-0.11460922,
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3.5497596
]
] | -25.848555 | [
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2.04,
1.524,
-0.001
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[
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[
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[
0.00284561,
0.0016262,
-0.00773085
],
[
-0.00153274,
-0.00087592,
0.0035585
]
] | 3.352092 | 3.692138 | pbe | true | e9cb601181b97a78772ebf81c4fc3b7e_160_Ca1Fe2P1 |
[
"Ca",
"Ga",
"Hg"
] | 7 | A4B2C | Ca4Ga2Hg | Ca4 Ga2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.83456631,
0,
0
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[
0,
5.83456631,
0
],
[
2.91728315,
2.91728315,
7.29505881
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] | agm001074966 | [
[
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4.273029413694065
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[
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[
0,
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[
2.9172831249274376,
2.9172831249274376,
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ga", "attached"... | [
"Ca",
"Ca",
"Ca",
"Ca",
"Hg",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
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[
0,
1.4146054,
0
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[
0,
0,
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]
] | -15.267443 | [
0,
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0,
0,
0
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[
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[
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[
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[
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[
0,
0,
0
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[
0,
0,
0.00191834
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[
0,
0,
-0.00191834
]
] | -0 | 7.171866 | pbe | true | b6b2a6392f621dd420e4785b4999bf0d_139_Ca4Ga2Hg1 |
[
"Ca",
"Ga",
"Li"
] | 5 | A2B2C | CaGa2Li2 | Li2 Ca1 Ga2 | 3 | [
1,
1,
1
] | 3 | [
[
4.04382706,
0,
0
],
[
0,
4.04382706,
0
],
[
2.02191353,
2.02191353,
6.41918384
]
] | agm002928598 | [
[
0,
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0
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[
2.02191353,
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1.3208915067164
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[
4.04382706,
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[
4.04382706,
2.02191353,
3.20959192
],
[
2.02191353,
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3.20959192
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ga", "attached"... | [
"Ca",
"Ga",
"Ga",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
0.87067527,
0,
0
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[
0,
0.87067527,
0
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[
0,
0,
2.5167844
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] | -13.297101 | [
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0,
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] | [
[
0,
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[
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.737407 | pbe | true | 39f5958c4d4069fd360f54cfaf362095_139_Li2Ca1Ga2 |
[
"Ca",
"Ge",
"Li"
] | 10 | A3BC | CaGe3Li | Li2 Ca2 Ge6 | 3 | [
1,
1,
1
] | 3 | [
[
3.96863506,
0,
0
],
[
0,
4.21936466,
0
],
[
0,
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12.92976985
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] | agm003728706 | [
[
0.992158765,
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[
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[
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[
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[
0.99215876... | [{"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": "Ca", "attached"... | [
"Li",
"Li",
"Ca",
"Ca",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.926192,
0,
0
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[
0,
1.7762591,
0
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[
0,
0,
1.7501913
]
] | -38.856712 | [
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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,
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[
0,
0,
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[
0,... | 0 | 3.826716 | pbe | true | 6e0eec61ec9cfb629a678faf9085e667_63_Li2Ca2Ge6 |
[
"Ca",
"H",
"Pm"
] | 6 | A4BC | CaH4Pm | Ca1 Pm1 H4 | 3 | [
1,
1,
1
] | 3 | [
[
3.80058572,
0.00004109,
-0.00143797
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[
-0.00008872,
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],
[
0.00226452,
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5.44653743
]
] | agm003751404 | [
[
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2.711040759074654
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[
1.9074297484090936,
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[
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1.3443880853135963
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[
1.9068511392473577,
3.7930003904015237,
4.0758775792329605
],
... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pm", "attached": ... | [
"Ca",
"Pm",
"H",
"H",
"H",
"H"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
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[
0.00347034,
8.168341,
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[
-0.00573783,
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8.051218
]
] | -23.760705 | [
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] | [
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[
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[
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[
-0.00027213,
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0.00284421
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[
0.00021819,
-0.00... | 0.000032 | 1.651129 | pbe | true | 334aa422f06e8b52c385bb46724b555d_123_Ca1Pm1H4 |
[
"Ca",
"H",
"Ta"
] | 6 | ABC | CaHTa | Ca2 Ta2 H2 | 3 | [
1,
1,
1
] | 3 | [
[
6.69317603,
0.00491107,
0.0208516
],
[
-0.07053927,
4.91665472,
0.01245711
],
[
-0.23729656,
0.14127958,
3.05740268
]
] | agm003071181 | [
[
4.794115024357977,
3.954336908134182,
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[
1.689501507696728,
1.0017273989474127,
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[
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[
4.468381859578307,
2.300394028549839,
2.7077641402721855
],
[... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": ... | [
"H",
"H",
"Ca",
"Ca",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.497034,
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[
1.6585652,
6.569052,
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],
[
0.25464404,
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3.1783204
]
] | -33.348355 | [
0,
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] | [
[
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[
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[
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[
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[
-0.00481624,
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0.01837618
],
[
0.0154656,
0.00344... | 0 | 1.313833 | pbe | true | 43d2558cc3018baab25eff039c1a2ded_1_Ca2Ta2H2 |
[
"Ca",
"Hf",
"Y"
] | 10 | A2B2C | CaHf2Y2 | Ca2 Y4 Hf4 | 3 | [
1,
1,
1
] | 3 | [
[
9.22752664,
0,
0
],
[
0,
9.22752664,
0
],
[
0,
0,
3.40887314
]
] | agm002967456 | [
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0
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[
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0
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[
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0.... | -0 | 8.480632 | pbe | true | 81490a6e0a0aaac3995b1fd7d8deb800_127_Ca2Y4Hf4 |
[
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1,
1,
1
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[
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[
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1,
1,
1
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-0.001... | 0.0004 | 7.161549 | pbe | true | 5a3018187c8a856387f36e470130c647_71_Ca8In2Si1 |
[
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1,
1,
1
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0
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[
-1.90350432,
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[
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] | 4.125482 | 3.973532 | pbe | true | 82e3a2b1f0772fb6e9bcc60aa7a8b60d_156_K1Ca1Mn1 |
[
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1,
1,
1
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] | 1.597063 | 11.53859 | pbe | true | b8ba750352c7fc5a7f441db75917f48d_216_K1Ca1Sc4 |
[
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1,
1,
1
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... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "N", "attached":... | [
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] | 0.000224 | 8.805104 | pbe | true | 0d2a73513362dd7ecb580635c78b2ee4_122_Ca2La4N2 |
[
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1,
1,
1
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[
0,
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... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Os", "attached"... | [
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] | 1.042018 | 9.553257 | pbe | true | 8b534a86a707bf4fc043e127b6580a4c_122_Li2Ca4Os2 |
[
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1,
1,
1
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0,
0
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[
0,
2.98745422,
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[
0,
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] | agm004313509 | [
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] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached"... | [
"Ca",
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] | 0.000005 | 4.226104 | pbe | true | bdd8a7049f9f828937e73189a8a7d34a_6_Li1Ca2Re1 |
[
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1,
1,
1
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[
0,
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] | agm003720810 | [
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[
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached"... | [
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[
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-0.0051... | -0 | 5.700589 | pbe | true | e945c5af5191a8ec845c6e63e3962920_14_Li12Ca4Sn4 |
[
"Ca",
"Mg",
"Pb"
] | 17 | A10B6C | Ca6MgPb10 | Ca6 Mg1 Pb10 | 3 | [
1,
1,
1
] | 3 | [
[
6.81268375,
0,
0
],
[
0,
8.15277341,
-4.70700614
],
[
0,
9.2e-7,
9.41401221
]
] | agm006096866 | [
[
4.718290973687537,
3.0209059278868464,
1.7441207083506218
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[
4.718290973687537,
5.791058036e-7,
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[
4.718290973687537,
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[
2.0943927763124623,
5.131868402113154,
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[
2... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached"... | [
"Ca",
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"Ca",
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"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.35294117647058826,
0.058823529411764705,
0.5882352941176471
] | [
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[
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4.086049,
3.8e-7
],
[
0,
3.8e-7,
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] | -55.926905 | [
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] | [
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[
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... | 0 | 6.722376 | pbe | true | 7571da3c686c2b2e3fe861b9e37a7b4c_162_Ca6Mg1Pb10 |
[
"Ca",
"Mn",
"Si"
] | 4 | A2BC | CaMnSi2 | Ca1 Mn1 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
2.98363882,
-0.00047128,
0
],
[
0.0004723,
2.98363882,
0
],
[
0,
0,
6.96582736
]
] | agm003892278 | [
[
1.49205556,
1.4915837699999999,
1.74145684
],
[
1.49205556,
1.4915837699999999,
5.22437052
],
[
0,
0,
6.4863585264622445
],
[
0,
0,
3.962382513537755
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached"... | [
"Ca",
"Mn",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0824399,
3.7e-7,
0
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[
3.7e-7,
1.0824399,
0
],
[
0,
0,
1.6522148
]
] | -23.074223 | [
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[
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[
0,
0,
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],
[
0,
0,
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]
] | 0.000014 | 1.55137 | pbe | true | eb8b5f3d99ba0c6f54f599a5ee64f197_123_Ca1Mn1Si2 |
[
"Ca",
"Mg",
"Zn"
] | 18 | A4B3C2 | Ca2Mg3Zn4 | Ca4 Mg6 Zn8 | 3 | [
1,
1,
1
] | 3 | [
[
6.08338329,
0,
0
],
[
0,
7.60086,
0
],
[
-3.04169165,
0,
8.61866171
]
] | agm003335586 | [
[
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4.5687893080842,
1.6723207321005935
],
[
3.0416916713870905,
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6.946340977899406
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[
2.6387090705775975e-8,
0.7683593080841999,
6.946340977899406
],
[
3.0416916136129095,
6.8325006919158,
1.6723207321005935
],
... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ca",
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"Mg",
"Mg",
"Mg",
"Mg",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
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0.4444444444444444
] | [
[
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[
0,
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0
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[
0,
0,
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] | -30.637723 | [
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[
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[
0,
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[
0,
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[
0,
0,
0.00664... | -0 | 9.017204 | pbe | true | 826be1b72e6bb260373f153cdbfef45e_64_Ca4Mg6Zn8 |
[
"Ca",
"Mo",
"P"
] | 3 | ABC | CaMoP | Ca1 Mo1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
4.36408111,
0,
0
],
[
2.18204055,
3.7794051,
0
],
[
2.18204055,
1.2598017,
3.5632573
]
] | agm003905069 | [
[
0,
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0
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[
4.364081105,
2.5196034,
1.78162865
],
[
6.5461216575,
3.7794051,
2.672442975
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "P", "attached":... | [
"Ca",
"Mo",
"P"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.986523,
0,
0
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[
0,
1.986523,
0
],
[
0,
0,
1.986523
]
] | -18.148905 | [
0,
0.016,
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] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.018793 | 4.275587 | pbe | true | fd9e7633810aa800f4c3dba459d913be_216_Ca1Mo1P1 |
[
"Ca",
"Mo",
"Zn"
] | 10 | A2B2C | CaMo2Zn2 | Ca2 Zn4 Mo4 | 3 | [
1,
1,
1
] | 3 | [
[
8.05464524,
0,
0
],
[
0,
8.05464524,
0
],
[
0,
0,
2.7834854
]
] | agm002967512 | [
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0.8843136210085747,
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[
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[
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[
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[
0,
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[
4... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Zn", "attached"... | [
"Mo",
"Mo",
"Mo",
"Mo",
"Ca",
"Ca",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
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0,
0
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[
0,
4.1822834,
0
],
[
0,
0,
2.880107
]
] | -49.58857 | [
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0,
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0,
0,
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0
] | [
[
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[
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[
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[
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[
0,
0,
0
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[
0.00420838,
0.00420838,
0
],
[
0.00420838,
... | 0 | 7.865388 | pbe | true | 85767aed4873f579fd8555eed7239e29_127_Ca2Zn4Mo4 |
[
"Ca",
"Ni",
"Y"
] | 4 | A2BC | Ca2NiY | Ca2 Y1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
9.97668289,
0.03148075,
0.01867844
],
[
9.1938286,
3.8741074,
0.01867844
],
[
9.1938286,
1.87304904,
3.39127474
]
] | agm004161643 | [
[
22.127304780323097,
4.507972542718156,
2.6747097445055674
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[
14.061103099480654,
2.8646537534546668,
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[
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],
[
6.266802266384351,
1.2767290380808893,
0.7575200529480414
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Ni",
"Ca",
"Ca"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
0.01019497,
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],
[
0.00604897,
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-1.3620298
]
] | -16.464199 | [
0,
0,
0,
0
] | [
[
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[
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[
0.00266459,
0.00054285,
0.00032209
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[
0.00387872,
0.00079021,
0.00046885
]
] | -0.000005 | 4.46972 | pbe | true | a5195488fad44c13f4ea6d664c1dc7a0_160_Ca2Y1Ni1 |
[
"Ca",
"O",
"Sc"
] | 6 | ABC | CaOSc | Ca2 Sc2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
4.13398374,
0,
0
],
[
0,
4.13398374,
0
],
[
0,
0,
8.37744833
]
] | agm001005222 | [
[
2.06699187,
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3.6135993521005885
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[
0,
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[
2.06699187,
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[
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[
2.06699187,
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached": ... | [
"O",
"O",
"Ca",
"Ca",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
[
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0,
0
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[
0,
0.3945888,
0
],
[
0,
0,
0.42091167
]
] | -37.433366 | [
0,
0,
0,
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] | [
[
0,
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[
0,
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[
0,
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],
[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 4.403928 | pbe | true | 43f5075fe2b6454e4af9e418ed7d5a3a_129_Ca2Sc2O2 |
[
"Ca",
"Pb",
"Te"
] | 3 | ABC | CaPbTe | Ca1 Te1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.3074454,
0,
0
],
[
2.6537227,
4.59638254,
0
],
[
2.6537227,
1.53212751,
4.33351102
]
] | agm004244105 | [
[
0,
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[
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4.596382537499999,
3.2501332650000005
],
[
5.3074454,
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2.16675551
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Te", "attached"... | [
"Pb",
"Ca",
"Te"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
[
2.028307,
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0
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[
0,
2.028307,
0
],
[
0,
0,
2.028307
]
] | -10.065984 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 | 2.176283 | pbe | true | e3d01451b846d307d93603ac6b96727e_216_Ca1Te1Pb1 |
[
"Ca",
"P",
"Zn"
] | 10 | A2B2C | Ca2P2Zn | Ca4 Zn2 P4 | 3 | [
1,
1,
1
] | 3 | [
[
7.2590459,
0,
0
],
[
0,
7.2590459,
0
],
[
0,
0,
4.05702529
]
] | agm003006315 | [
[
2.446685448036929,
6.07620839803693,
0
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[
6.07620839803693,
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0
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[
4.8123604519630705,
1.182837501963071,
0
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[
1.182837501963071,
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0
],
[
0,
0,
0
],
[
3.62952295,
3.62952295,
0
]... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"P",
"P",
"P",
"Zn",
"Zn",
"Ca",
"Ca",
"Ca",
"Ca"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
1.0488138,
0,
0
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[
0,
1.0488138,
0
],
[
0,
0,
0.9461198
]
] | -38.755507 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0
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[
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0
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[
0.00073494,
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[
0.00073494,
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[
0,
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[
0,
0,
0
],
[
-0.00240697,
-0.00240697,
0
],
[
-0.00240697... | 0.000051 | 5.907801 | pbe | true | a76745e9964f4b22789d065beec57601_127_Ca4Zn2P4 |
[
"Ca",
"Re",
"Te"
] | 10 | A3BC | CaReTe3 | Ca2 Re2 Te6 | 3 | [
1,
1,
1
] | 3 | [
[
4.33238835,
1e-8,
0
],
[
-3.1e-7,
12.81987068,
0
],
[
0,
0,
19.18292154
]
] | agm2000103174 | [
[
-5.8964793100000004e-8,
2.438454910370827,
9.591460578170784
],
[
2.1661939610352103,
8.848390127172118,
9.591460578170784
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[
4.332388156848488,
6.1960349103132515,
9.591460578170784
],
[
2.166193783524605,
12.605970245313252,
9.591460961829215
],
... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Te", "attached"... | [
"Ca",
"Ca",
"Re",
"Re",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.3619984,
-1e-8,
0
],
[
-1e-8,
0.34284163,
0
],
[
0,
0,
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]
] | -49.417503 | [
0.01,
0.01,
0.403,
0.403,
0.046,
0.046,
0.046,
0.046,
-0.013,
-0.013
] | [
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[
0,
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[
0,
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[
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[
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[
0,
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-0.00188377
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[
0,
0.00787134,
0.00188377
],
[
0,
0.007... | 1.37777 | 7.277041 | pbe | true | 6fa434536959c0260e8a588d224456d8_38_Ca2Re2Te6 |
[
"Co",
"H",
"Ni"
] | 3 | ABC | CoHNi | Co1 Ni1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
2.56045465,
0,
0
],
[
-1.28022733,
2.21741877,
0
],
[
0,
0,
4.19611173
]
] | agm001278565 | [
[
-1.6135606669545375e-8,
1.478279187391396,
2.4845524571770072
],
[
0,
0,
0.2993145662184393
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[
1.2802273361356067,
0.7391395826086041,
1.4122447066045538
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": ... | [
"Ni",
"Co",
"H"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
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[
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[
0,
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] | -16.181402 | [
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[
0,
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[
0,
0,
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] | 1.970686 | 2.909102 | pbe | true | f12133ee29f83d3d41bda1358af3fe05_156_Co1Ni1H1 |
[
"Ca",
"Ru",
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] | 4 | A2BC | Ca2RuW | Ca2 Ru1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.52117703,
3.52117703
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[
3.52117703,
0,
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[
3.52117703,
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] | agm002655837 | [
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[
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[
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ca", "attached": ... | [
"Ru",
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"Ca",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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] | -21.739146 | [
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[
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] | 3.422771 | 4.670519 | pbe | true | 509e565203b5a5ebb2d22ab3586ef383_225_Ca2Ru1W1 |
[
"Ca",
"Sb",
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] | 5 | A3BC | CaSbZr3 | Ca1 Zr3 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.0659436,
0,
0
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[
0,
5.0659436,
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[
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] | agm002443509 | [
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached"... | [
"Sb",
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"Zr",
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] | 2023-11-16 06:57:59 | [
0.2,
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] | -24.872074 | [
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[
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[
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] | 1.564154 | 6.177129 | pbe | true | b940d1a06824a7cec601f67fd598cb6a_221_Ca1Zr3Sb1 |
[
"Ca",
"Tc",
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] | 3 | ABC | CaTcTe | Ca1 Tc1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
5.00112541,
0,
0
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[
2.50056271,
4.33110165,
0
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[
2.50056271,
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] | agm004233617 | [
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Te", "attached"... | [
"Ca",
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] | 2023-11-16 06:57:59 | [
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] | 3.560866 | 6.988459 | pbe | true | 456c6eb9ccc6b298144d242ff3324b65_216_Ca1Tc1Te1 |
[
"Cd",
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] | 16 | A12B3C | CdGa12Ho3 | Ho3 Cd1 Ga12 | 3 | [
1,
1,
1
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[
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0
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[
0,
4.27700197,
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] | agm005884017 | [
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[
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8.5... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ga", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
"Cd",
"Ce",
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] | 6 | A4BC | Cd4CeLi | Li1 Ce1 Cd4 | 3 | [
1,
1,
1
] | 3 | [
[
5.90014974,
0,
0
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[
2.95007487,
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] | agm001178481 | [
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[
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Li", "attached"... | [
"Li",
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] | 2023-11-16 06:57:59 | [
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] | -12.195776 | [
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[
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] | 1.442335 | 11.973729 | pbe | true | dfe8ffeb4929be7723e6d0b54830e889_216_Li1Ce1Cd4 |
[
"Cd",
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] | 7 | A4B2C | CdCu2Er4 | Er4 Cd1 Cu2 | 3 | [
1,
1,
1
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[
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0,
1.48001886
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[
2.13741717,
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[
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] | agm006006046 | [
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[
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Cu", "attached"... | [
"Cd",
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] | 2023-11-16 06:57:59 | [
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] | -28.270661 | [
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[
... | -0.000004 | 5.89028 | pbe | true | cf785af38977176b2105999ceffe4fa8_166_Er4Cd1Cu2 |
[
"Cd",
"Cu",
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] | 10 | A5B4C | Cd4CuTb5 | Tb5 Cd4 Cu1 | 3 | [
1,
1,
1
] | 3 | [
[
3.65326826,
0,
0
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[
0,
3.65326826,
0
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[
0,
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] | agm003641009 | [
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[
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"Tb",
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] | 2023-11-16 06:57:59 | [
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[
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[
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0... | 0.376922 | 10.432672 | pbe | true | ead685911dbf02f23e5a3b4801f62a7a_123_Tb5Cd4Cu1 |
[
"Cd",
"I",
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1,
1,
1
] | 3 | [
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0
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[
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[
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] | agm001253301 | [
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[
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3.5... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "I", "attached":... | [
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[
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] | -164.51607 | [
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[
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[
0,
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[
0,
0,
0
],... | 3.055417 | 65.71392 | pbe | true | 2b6edfd489288ecdcf052de2f11dd71a_230_Cd12In20I48 |
[
"Cd",
"Fe",
"Hg"
] | 3 | ABC | CdFeHg | Cd1 Fe1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
4.55696677,
0,
0
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[
2.27848339,
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[
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] | agm004157924 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Hg", "attached"... | [
"Cd",
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] | 2023-11-16 06:57:59 | [
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[
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] | -7.529537 | [
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[
0,
0,
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[
0,
0,
0
]
] | 3.176999 | 4.096768 | pbe | true | e5371b199090db7f0c53cee912ba378a_216_Cd1Fe1Hg1 |
[
"Cd",
"Fe",
"P"
] | 4 | A2BC | CdFeP2 | Cd1 Fe1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
2.72035216,
0,
0
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[
0,
3.49318531,
0
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[
0,
0,
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] | agm004154793 | [
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached":... | [
"Cd",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0.000233 | 2.404406 | pbe | true | 7f1f5c3e7fc80cdd60da4b9dee70e2ce_25_Cd1Fe1P2 |
[
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"Ge",
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1,
1,
1
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[
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... | -0 | 5.256777 | pbe | true | 712285c78e62f6fce4904f8bbf1ba678_127_Cd4Ge4I2 |
[
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1,
1,
1
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0.00000... | 0.000001 | 3.083728 | pbe | true | 4876813c530ca7a858cd19d211b985ac_160_Pm2Cd3Hg3 |
[
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1,
1
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[
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[
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1,
1,
1
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[... | 0.000636 | 10.512929 | pbe | true | 3733b206d8c87092f5434c41a56c986d_148_La1Ho6Cd1 |
[
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1
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] | 0 | -0.077295 | pbe | true | 17c2b6d471785771db625b872702f805_6_Pd1Cl1F1 |
[
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1,
1,
1
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[... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ir", "attached"... | [
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0.0001895... | 0.000005 | 21.351454 | pbe | true | 4282cadee036ebf3a6c01d4d5b790e34_227_La12Cd12Ir4 |
[
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1,
1,
1
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[
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1,
1
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[
0... | 0 | 5.356762 | pbe | true | 5e5025da5c84378ff5ee7566a9bb0354_25_Li8Mg1Cd4 |
[
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1,
1,
1
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[
3.68170180868321... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached"... | [
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[... | -0 | 7.00758 | pbe | true | ef252d1b59ef7ae22382f2de9da0c75c_12_Na5Cd2Sn12 |
[
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1,
1,
1
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[
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7.484864
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] | mp-5472 | [
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[
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached":... | [
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] | 2019-08-23 22:37:09 | [
0.18181818181818182,
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[
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... | null | 1.001499 | pbe | true | f8212d4c43dcd94c9b16a6b3846792b1_227_Nb4Cd4O14 |
[
"Cd",
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"Pb"
] | 14 | A4B2C | CdO4Pb2 | Cd2 Pb4 O8 | 3 | [
1,
1,
1
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] | agm003449635 | [
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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[
0.00054921,... | 0 | 0.570416 | pbe | true | 5685e852153014a163c999f09a0584d8_66_Cd2Pb4O8 |
[
"Cd",
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"Pu"
] | 3 | ABC | CdOsPu | Cd1 Os1 Pu1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
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3.304241539
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[
3.304241539,
0,
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[
3.304241539,
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] | oqmd-6932911 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pu", "attached"... | [
"Cd",
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] | 2024-11-01 00:00:00 | [
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[
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[
0,
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] | 4.01489 | null | pbe | true | a36281b1792ddb33a96fdc477dc62748_216_Pu1Cd1Os1 |
[
"Cd",
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] | 4 | A2BC | CdPSb2 | Cd1 Sb2 P1 | 3 | [
1,
1,
1
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[
3.94115261,
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[
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[
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"Cd",
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[
0.00150353,
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] | 0 | 1.653745 | pbe | true | f05c5b2f27282ef8cc9e0440cd5a5976_12_Cd1Sb2P1 |
[
"Cd",
"Pb",
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] | 4 | A2BC | Cd2PbPd | Cd2 Pd1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.534994,
3.534994
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[
3.534994,
0,
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[
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pb",
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[
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[
0,
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] | 0 | 1.622476 | pbe | true | 8f040b6b33ac677414aa3008661227e6_225_Cd2Pd1Pb1 |
[
"Cd",
"Pu",
"S"
] | 80 | A12B5C3 | Cd5Pu3S12 | Pu12 Cd20 S48 | 3 | [
1,
1,
1
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[
13.51801015,
0,
0
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12.74490218,
0
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] | agm001253170 | [
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[
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2.759... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pu", "attached": ... | [
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[
0,
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],... | 45.671387 | 121.13721 | pbe | true | cfcfdb280880c5499bc2b6f0f5eed0b2_230_Pu12Cd20S48 |
[
"Cd",
"Pu",
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] | 18 | A5B3C | CdPu3Rh5 | Pu6 Cd2 Rh10 | 3 | [
1,
1,
1
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5.76373491,
0,
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[
0,
7.10787163,
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[
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[
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0... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pu", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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... | 28.129986 | 47.322033 | pbe | true | 4266afcc946a0670d1eef77c1745ff38_193_Pu6Cd2Rh10 |
[
"Cd",
"Rb",
"Si"
] | 8 | A2BC | Cd2RbSi | Rb2 Cd4 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
5.93270111,
0,
0
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[
0,
5.93270111,
0
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[
2.96635056,
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] | agm002891946 | [
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[
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Si", "attached"... | [
"Si",
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] | 2023-11-16 06:57:59 | [
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] | -15.012848 | [
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[
0,
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[
0,
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] | 0 | 3.688725 | pbe | true | 3a73aab83f7c739b7a318f2e1f3b87d8_141_Rb2Cd4Si2 |
[
"Cd",
"Sc",
"Tm"
] | 8 | A2BC | CdSc2Tm | Tm2 Sc4 Cd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.3647197,
-0.34726162,
0
],
[
1.0082956,
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0
],
[
1.68235985,
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] | agm003624921 | [
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[... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
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] | 2023-11-16 06:57:59 | [
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[
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] | -36.960323 | [
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[
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[
0,
... | -0.001375 | 9.422243 | pbe | true | 24256fc1da7a6620eb301d7dc6b1a994_63_Tm2Sc4Cd2 |
[
"Cd",
"Sc",
"Y"
] | 12 | A4BC | CdSc4Y | Y2 Sc8 Cd2 | 3 | [
1,
1,
1
] | 3 | [
[
5.6695327,
0.50520939,
0.46919333
],
[
2.39446616,
5.16385219,
0.46919333
],
[
1.78506029,
1.25491296,
10.88343799
]
] | agm003740980 | [
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5.676315659999999
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[
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[
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4.160514326395423,
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[
6.3955189762273505,
2.763460... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
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"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
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"Cd",
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] | 2023-11-16 06:57:59 | [
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] | [
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... | 3.150393 | 22.350674 | pbe | true | 138e8a0220d41a1b22e35151238b5878_15_Y2Sc8Cd2 |
[
"Cd",
"Si",
"Te"
] | 4 | A2BC | CdSiTe2 | Cd1 Si1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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3.01700921,
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] | 0 | 2.042037 | pbe | true | fb4f444d9a7f90886ead602b19c509ee_10_Cd1Si1Te2 |
[
"Cd",
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] | 4 | A2BC | CdTaTe2 | Ta1 Cd1 Te2 | 3 | [
1,
1,
1
] | 3 | [
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0,
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] | 0.000419 | 3.726548 | pbe | true | 93a1f2feb1a4805848f07b11f73b4190_166_Ta1Cd1Te2 |
[
"Cd",
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] | 10 | A2B2C | Cd2Sn2Tm | Tm2 Cd4 Sn4 | 3 | [
1,
1,
1
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[
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0
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11.124872372676577... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tm", "attached"... | [
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[
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[
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] | 6 | A3B2C | CdTl2Tm3 | Tm3 Tl2 Cd1 | 3 | [
1,
1,
1
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[
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0
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
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] | 0.000255 | 5.29564 | pbe | true | 7b87bdf9319a1c3a2c7c7fe9c1c22131_123_Tm3Tl2Cd1 |
[
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] | 19 | A16B2C | Cd16Th2Zn | Th2 Zn1 Cd16 | 3 | [
1,
1,
1
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[
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[
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[
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-0.0006... | -0 | 7.632311 | pbe | true | 3bf21c1a041d81a5b758b226c8c3cccc_160_Th2Zn1Cd16 |
[
"Ce",
"Co",
"Ir"
] | 7 | A4B2C | Ce4CoIr2 | Ce4 Co1 Ir2 | 3 | [
1,
1,
1
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[
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[
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[
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[
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0.51276302631... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ce",
"Ce",
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"Ce",
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] | 2023-11-16 06:57:59 | [
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] | -50.83386 | [
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-... | 1.82556 | 15.942096 | pbe | true | 2748f253b1f50a6c09f586093c9a6df5_10_Ce4Co1Ir2 |
[
"Ce",
"Co",
"Tb"
] | 12 | A10BC | CeCo10Tb | Tb1 Ce1 Co10 | 3 | [
1,
1,
1
] | 3 | [
[
3.97759009,
0,
0
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[
0,
4.8950224,
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[
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"Tb",
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"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
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... | 12.80977 | 17.630695 | pbe | true | e1ab3ff7e877125a35252db8559aced4_47_Tb1Ce1Co10 |
[
"Ce",
"Co",
"Th"
] | 3 | ABC | CeCoTh | Ce1 Th1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
3.75731964,
0,
0
],
[
-1.87865982,
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[
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] | agm001274281 | [
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[
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Th", "attached"... | [
"Co",
"Ce",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0.001893 | 5.311449 | pbe | true | 9bb0f678dfdfe820f33bf12026f88ea7_156_Ce1Th1Co1 |
[
"Ce",
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] | 16 | A14BC | CeDyLa14 | La14 Ce1 Dy1 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
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[
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[
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1.2989691144... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Dy", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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-0.000... | 1.365681 | 31.96381 | pbe | true | 294abf35bf817d46f73d2f7545f664e3_38_La14Ce1Dy1 |
[
"Ce",
"Er",
"Ho"
] | 12 | A7B4C | CeEr7Ho4 | Ce1 Ho4 Er7 | 3 | [
1,
1,
1
] | 3 | [
[
5.76544714,
0,
0
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[
2.88272357,
11.14794781,
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[
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] | agm003670367 | [
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[
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[
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0.0018... | 22.629915 | 24.579508 | pbe | true | 6887803a7e52a864359370cf4a78cc27_127_Ce2Pu4Ge4 |
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0.0070... | 14.839668 | 98.27011 | pbe | true | 5d2f9f1b6dbf1fbacfa45d3a4b980b00_230_Ce20Zr12H48 |
[
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0.00282043... | 4.239114 | 30.868568 | pbe | true | 3cd2bd870cc0b1d2ed1cb214afdc8324_2_Ce8Hg2N2 |
[
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