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{
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{
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{
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"structure_string": "Mg12 Ti4 Ni8\n1.0\n0.000000 5.813347 5.813347\n5.813347 0.000000 5.813347\n5.813347 5.813347 0.000000\nMg Ti Ni\n12 4 8\ndirect\n0.807388 0.807388 0.192612 Mg\n0.192612 0.192612 0.807388 Mg\n0.807388 0.192612 0.807388 Mg\n0.192612 0.807388 0.192612 Mg\n0.192612 0.807388 0.807388 Mg\n0.807388 0.192612 0.192612 Mg\n0.442612 0.442612 0.057388 Mg\n0.057388 0.057388 0.442612 Mg\n0.442612 0.057388 0.442612 Mg\n0.057388 0.442612 0.057388 Mg\n0.057388 0.442612 0.442612 Mg\n0.442612 0.057388 0.057388 Mg\n0.125000 0.625000 0.625000 Ti\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.625000 0.625000 0.625000 Ti\n0.741535 0.419488 0.419488 Ni\n0.419488 0.741535 0.419488 Ni\n0.419488 0.419488 0.741535 Ni\n0.419488 0.419488 0.419488 Ni\n0.508465 0.830512 0.830512 Ni\n0.830512 0.508465 0.830512 Ni\n0.830512 0.830512 0.508465 Ni\n0.830512 0.830512 0.830512 Ni\n",
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{
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"created_at": "2022-09-04T14:42:53.647716Z",
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{
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"structure_string": "Pr2 Cu1 Ag1\n1.0\n3.721320 0.000000 0.000000\n0.000000 3.721320 0.000000\n0.000000 0.000000 7.439168\nPr Cu Ag\n2 1 1\ndirect\n0.500000 0.500000 0.263706 Pr\n0.500000 0.500000 0.736294 Pr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "mp-1185399",
"created_at": "2022-09-04T14:39:14.005191Z",
"structure_string": "Li1 Pm2 Sn1\n1.0\n0.000000 3.792102 3.792102\n3.792102 0.000000 3.792102\n3.792102 3.792102 0.000000\nLi Pm Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-1188245",
"created_at": "2022-09-04T14:43:18.585348Z",
"structure_string": "Nb2 S4 Cl9 O5\n1.0\n0.000000 0.000000 7.638682\n7.582043 0.000000 0.000000\n-3.791021 8.700580 -3.819342\nNb S Cl O\n2 4 9 5\ndirect\n0.118524 0.118524 0.237047 Nb\n0.881476 0.881476 0.762953 Nb\n0.823642 0.131749 0.000000 S\n0.176358 0.131749 0.000000 S\n0.176358 0.868251 0.000000 S\n0.823642 0.868251 0.000000 S\n0.893549 0.175084 0.350168 Cl\n0.106451 0.824916 0.649832 Cl\n0.456619 0.175084 0.350168 Cl\n0.543381 0.824916 0.649832 Cl\n0.162296 0.455959 0.324592 Cl\n0.837704 0.131367 0.675408 Cl\n0.162296 0.868633 0.324592 Cl\n0.837704 0.544041 0.675408 Cl\n0.500000 0.500000 0.000000 Cl\n0.382973 0.582625 0.765945 O\n0.617027 0.816679 0.234055 O\n0.382973 0.183321 0.765945 O\n0.617027 0.417375 0.234055 O\n0.000000 0.500000 0.000000 O\n",
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{
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{
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{
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{
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{
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"volume_molar": 14.01944593107832,
"formula_full": "Cu5 Sn2 Se7",
"formula_reduced": "Cu5Sn2Se7",
"formula_anonymous": "A2B5C7",
"energy": -60.24236235,
"energy_per_atom": -4.303025882142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.93836234999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003818,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.254000Z",
"spacegroup": 5
}
]
}