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{
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{
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{
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"structure_string": "Cs2 Ni2 Cl6\n1.0\n3.652362 -6.326076 0.000000\n3.652362 6.326076 0.000000\n0.000000 0.000000 5.981958\nCs Ni Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Cs\n0.333333 0.666667 0.750000 Cs\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.850175 0.700349 0.750000 Cl\n0.149825 0.850175 0.250000 Cl\n0.700349 0.850175 0.250000 Cl\n0.299651 0.149825 0.750000 Cl\n0.149825 0.299651 0.250000 Cl\n0.850175 0.149825 0.750000 Cl\n",
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{
"id": "mp-1173233",
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"structure_string": "Sr3 La1 Cu2 Bi4 O12\n1.0\n4.558769 -0.041384 -0.207344\n0.002276 4.664429 -1.439195\n0.897325 2.819086 15.936619\nSr La Cu Bi O\n3 1 2 4 12\ndirect\n0.991788 0.120239 0.650192 Sr\n0.491588 0.629105 0.653063 Sr\n0.498831 0.319642 0.347461 Sr\n0.013027 0.824814 0.358572 La\n0.008969 0.468033 0.496956 Cu\n0.495047 0.976092 0.499326 Cu\n0.480174 0.181853 0.855596 Bi\n0.530390 0.775787 0.143303 Bi\n0.026020 0.277508 0.143105 Bi\n0.981592 0.681089 0.855252 Bi\n0.991143 0.608461 0.723341 O\n0.326941 0.293308 0.550143 O\n0.169530 0.793113 0.536804 O\n0.481040 0.683705 0.859158 O\n0.479669 0.114623 0.724336 O\n0.547997 0.845266 0.278203 O\n0.830805 0.150093 0.452442 O\n0.673065 0.657648 0.446372 O\n0.527052 0.274818 0.141352 O\n0.980313 0.183575 0.859282 O\n0.029358 0.775036 0.141055 O\n0.007660 0.368193 0.278687 O\n",
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{
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"structure_string": "Mn12 O2 F22\n1.0\n16.220877 0.000000 0.000000\n0.000000 4.964305 0.000000\n0.000000 4.891443 5.887994\nMn O F\n12 2 22\ndirect\n0.668445 0.846471 0.143670 Mn\n0.495953 0.159591 0.829293 Mn\n0.329099 0.831722 0.187088 Mn\n0.001060 0.825241 0.169235 Mn\n0.828120 0.153469 0.832836 Mn\n0.167930 0.175515 0.830245 Mn\n0.832070 0.175515 0.330245 Mn\n0.171880 0.153469 0.332836 Mn\n0.504047 0.159591 0.329293 Mn\n0.331555 0.846471 0.643670 Mn\n0.670901 0.831722 0.687088 Mn\n0.998940 0.825241 0.669235 Mn\n0.718133 0.880550 0.910468 O\n0.281867 0.880550 0.410468 O\n0.557216 0.666120 0.109748 F\n0.891664 0.659867 0.105668 F\n0.223139 0.672609 0.114632 F\n0.384502 0.875024 0.874270 F\n0.058033 0.881414 0.889710 F\n0.393914 0.340104 0.391690 F\n0.556722 0.109102 0.608119 F\n0.720082 0.348521 0.392124 F\n0.890641 0.131024 0.602684 F\n0.061198 0.330097 0.391358 F\n0.228488 0.113556 0.617164 F\n0.442784 0.666120 0.609748 F\n0.615498 0.875024 0.374270 F\n0.776861 0.672609 0.614632 F\n0.108336 0.659867 0.605668 F\n0.941967 0.881414 0.389710 F\n0.443278 0.109102 0.108119 F\n0.771512 0.113556 0.117164 F\n0.606086 0.340104 0.891690 F\n0.279918 0.348521 0.892124 F\n0.109359 0.131024 0.102684 F\n0.938802 0.330097 0.891358 F\n",
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{
"id": "mp-581942",
"created_at": "2022-09-04T14:45:29.654064Z",
"structure_string": "Ce4 Cu24\n1.0\n10.104341 0.000000 0.000000\n0.000000 5.027011 0.000000\n0.000000 0.138753 8.063467\nCe Cu\n4 24\ndirect\n0.435250 0.743238 0.259325 Ce\n0.064750 0.743238 0.759325 Ce\n0.935250 0.256762 0.240675 Ce\n0.564750 0.256762 0.740675 Ce\n0.143484 0.751996 0.146428 Cu\n0.643484 0.248004 0.353572 Cu\n0.405641 0.232523 0.438497 Cu\n0.743703 0.750995 0.317311 Cu\n0.806732 0.496747 0.565751 Cu\n0.484194 0.250182 0.100359 Cu\n0.515806 0.749818 0.899641 Cu\n0.306732 0.503253 0.934249 Cu\n0.693268 0.496747 0.065751 Cu\n0.984194 0.749818 0.399641 Cu\n0.809777 0.007156 0.562781 Cu\n0.856516 0.248004 0.853572 Cu\n0.094359 0.232523 0.938497 Cu\n0.905641 0.767477 0.061503 Cu\n0.356516 0.751996 0.646428 Cu\n0.015806 0.250182 0.600359 Cu\n0.256297 0.249005 0.682689 Cu\n0.193268 0.503253 0.434249 Cu\n0.190223 0.992844 0.437219 Cu\n0.756297 0.750995 0.817311 Cu\n0.594359 0.767477 0.561503 Cu\n0.690223 0.007156 0.062781 Cu\n0.309777 0.992844 0.937219 Cu\n0.243703 0.249005 0.182689 Cu\n",
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"volume": 89.50578607231793,
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"formula_full": "P4 W2",
"formula_reduced": "P2W",
"formula_anonymous": "AB2",
"energy": -49.83205763000001,
"energy_per_atom": -8.305342938333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.83205763000001,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0042506,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.101000Z",
"spacegroup": 36
}
]
}