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{
"id": "mp-2994",
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"structure_string": "Co8 Ge12 Te12\n1.0\n6.209840 -6.208714 0.000000\n6.209840 6.208714 0.000000\n0.002251 0.000000 8.781244\nCo Ge Te\n8 12 12\ndirect\n0.245139 0.245139 0.245139 Co\n0.754861 0.754861 0.754861 Co\n0.745835 0.248750 0.748065 Co\n0.248750 0.748065 0.745835 Co\n0.748065 0.745835 0.248750 Co\n0.254165 0.751250 0.251935 Co\n0.751250 0.251935 0.254165 Co\n0.251935 0.254165 0.751250 Co\n0.319122 0.996587 0.167654 Ge\n0.996587 0.167654 0.319122 Ge\n0.167654 0.319122 0.996587 Ge\n0.680878 0.003413 0.832346 Ge\n0.003413 0.832346 0.680878 Ge\n0.832346 0.680878 0.003413 Ge\n0.819092 0.500774 0.331646 Ge\n0.500774 0.331646 0.819092 Ge\n0.331646 0.819092 0.500774 Ge\n0.180908 0.499226 0.668354 Ge\n0.499226 0.668354 0.180908 Ge\n0.668354 0.180908 0.499226 Ge\n0.344064 0.999198 0.851567 Te\n0.999198 0.851567 0.344064 Te\n0.851567 0.344064 0.999198 Te\n0.655936 0.000802 0.148433 Te\n0.000802 0.148433 0.655936 Te\n0.148433 0.655936 0.000802 Te\n0.844471 0.504213 0.647964 Te\n0.504213 0.647964 0.844471 Te\n0.647964 0.844471 0.504213 Te\n0.155529 0.495787 0.352036 Te\n0.495787 0.352036 0.155529 Te\n0.352036 0.155529 0.495787 Te\n",
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],
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"formula_full": "Co8 Ge12 Te12",
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"updated_at": "2021-11-28T01:34:27.902000Z",
"spacegroup": 148
},
{
"id": "mp-5094",
"created_at": "2022-09-04T14:40:36.866099Z",
"structure_string": "Co8 Ge12 Se12\n1.0\n5.926842 -5.920897 0.000000\n5.926842 5.920897 0.000000\n0.011886 0.000000 8.377609\nCo Ge Se\n8 12 12\ndirect\n0.250792 0.250792 0.250792 Co\n0.749208 0.749208 0.749208 Co\n0.753243 0.251842 0.253488 Co\n0.251842 0.253488 0.753243 Co\n0.253488 0.753243 0.251842 Co\n0.746512 0.246757 0.748158 Co\n0.246757 0.748158 0.746512 Co\n0.748158 0.746512 0.246757 Co\n0.999603 0.329228 0.841728 Ge\n0.329228 0.841728 0.999603 Ge\n0.841728 0.999603 0.329228 Ge\n0.000397 0.670772 0.158272 Ge\n0.670772 0.158272 0.000397 Ge\n0.158272 0.000397 0.670772 Ge\n0.498363 0.827927 0.658784 Ge\n0.827927 0.658784 0.498363 Ge\n0.658784 0.498363 0.827927 Ge\n0.501637 0.172073 0.341216 Ge\n0.172073 0.341216 0.501637 Ge\n0.341216 0.501637 0.172073 Ge\n0.997657 0.656243 0.850838 Se\n0.656243 0.850838 0.997657 Se\n0.850838 0.997657 0.656243 Se\n0.002343 0.343757 0.149162 Se\n0.343757 0.149162 0.002343 Se\n0.149162 0.002343 0.343757 Se\n0.499297 0.155498 0.652128 Se\n0.155498 0.652128 0.499297 Se\n0.652128 0.499297 0.155497 Se\n0.500703 0.844503 0.347872 Se\n0.844503 0.347872 0.500703 Se\n0.347872 0.500703 0.844503 Se\n",
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"formula_full": "Co8 Ge12 Se12",
"formula_reduced": "Co2(GeSe)3",
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"updated_at": "2021-11-28T01:34:58.880000Z",
"spacegroup": 148
},
{
"id": "mp-2956",
"created_at": "2022-09-04T14:39:44.436063Z",
"structure_string": "Co8 Ge12 S12\n1.0\n5.702171 -5.694711 0.000000\n5.702171 5.694711 0.000000\n0.014911 0.000000 8.058801\nCo Ge S\n8 12 12\ndirect\n0.258964 0.253485 0.755930 Co\n0.741036 0.746515 0.244070 Co\n0.755930 0.258964 0.253485 Co\n0.244070 0.741036 0.746515 Co\n0.253485 0.755930 0.258964 Co\n0.756209 0.756209 0.756209 Co\n0.746515 0.244070 0.741036 Co\n0.243791 0.243791 0.243791 Co\n0.998387 0.334217 0.848157 Ge\n0.001613 0.665783 0.151843 Ge\n0.500464 0.165361 0.348600 Ge\n0.348600 0.500464 0.165361 Ge\n0.165361 0.348600 0.500464 Ge\n0.848157 0.998387 0.334217 Ge\n0.499536 0.834639 0.651400 Ge\n0.651400 0.499536 0.834639 Ge\n0.665783 0.151843 0.001613 Ge\n0.334217 0.848157 0.998387 Ge\n0.151843 0.001613 0.665783 Ge\n0.834639 0.651400 0.499536 Ge\n0.996621 0.654226 0.851742 S\n0.351168 0.500063 0.844651 S\n0.345774 0.148258 0.003379 S\n0.851742 0.996621 0.654226 S\n0.654226 0.851742 0.996621 S\n0.648832 0.499937 0.155349 S\n0.155349 0.648832 0.499937 S\n0.500063 0.844651 0.351168 S\n0.499937 0.155349 0.648832 S\n0.148258 0.003379 0.345774 S\n0.844651 0.351168 0.500063 S\n0.003379 0.345774 0.148258 S\n",
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"elements": [
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"S"
],
"chemical_system": "Co-Ge-S",
"density": 5.482287071629849,
"density_atomic": 0.06114171620864032,
"volume": 523.3742522176353,
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"formula_full": "Co8 Ge12 S12",
"formula_reduced": "Co2(GeS)3",
"formula_anonymous": "A2B3C3",
"energy": -181.48224903,
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"updated_at": "2021-11-28T01:34:44.568000Z",
"spacegroup": 148
},
{
"id": "mp-23857",
"created_at": "2022-09-04T14:42:42.122641Z",
"structure_string": "Co8 Cu8 H144 N48 Cl40\n1.0\n13.658963 0.000000 7.886005\n4.552987 12.877793 7.886005\n0.000000 0.000000 15.772011\nH N Cl Co Cu\n144 48 40 8 8\ndirect\n0.942641 0.054645 0.155331 H\n0.445355 0.344669 0.152617 H\n0.152617 0.557359 0.445355 H\n0.445355 0.152617 0.557359 H\n0.344669 0.557359 0.152617 H\n0.344669 0.152617 0.445355 H\n0.152617 0.344669 0.557359 H\n0.155331 0.942641 0.054645 H\n0.054645 0.155331 0.942641 H\n0.347383 0.942641 0.155331 H\n0.054645 0.347383 0.155331 H\n0.347383 0.054645 0.942641 H\n0.155331 0.054645 0.347383 H\n0.942641 0.155331 0.347383 H\n0.942641 0.347383 0.054645 H\n0.152617 0.445355 0.344669 H\n0.557359 0.152617 0.344669 H\n0.557359 0.445355 0.152617 H\n0.445355 0.557359 0.344669 H\n0.344669 0.445355 0.557359 H\n0.557359 0.344669 0.445355 H\n0.155331 0.347383 0.942641 H\n0.347383 0.155331 0.054645 H\n0.054645 0.942641 0.347383 H\n0.057359 0.945355 0.844669 H\n0.554645 0.655331 0.847383 H\n0.847383 0.442641 0.554645 H\n0.554645 0.847383 0.442641 H\n0.655331 0.442641 0.847383 H\n0.655331 0.847383 0.554645 H\n0.847383 0.655331 0.442641 H\n0.844669 0.057359 0.945355 H\n0.945355 0.844669 0.057359 H\n0.652617 0.057359 0.844669 H\n0.945355 0.652617 0.844669 H\n0.652617 0.945355 0.057359 H\n0.844669 0.945355 0.652617 H\n0.057359 0.844669 0.652617 H\n0.057359 0.652617 0.945355 H\n0.847383 0.554645 0.655331 H\n0.442641 0.847383 0.655331 H\n0.442641 0.554645 0.847383 H\n0.554645 0.442641 0.655331 H\n0.655331 0.554645 0.442641 H\n0.442641 0.655331 0.554645 H\n0.844669 0.652617 0.057359 H\n0.652617 0.844669 0.945355 H\n0.945355 0.057359 0.652617 H\n0.001759 0.926842 0.183685 H\n0.573158 0.316315 0.112286 H\n0.112286 0.498241 0.573158 H\n0.573158 0.112286 0.498241 H\n0.316315 0.498241 0.112286 H\n0.316315 0.112286 0.573158 H\n0.112286 0.316315 0.498241 H\n0.183685 0.001759 0.926842 H\n0.926842 0.183685 0.001759 H\n0.387714 0.001759 0.183685 H\n0.926842 0.387714 0.183685 H\n0.387714 0.926842 0.001759 H\n0.183685 0.926842 0.387714 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"nsites": 248,
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"formula_full": "Co8 Cu8 H144 N48 Cl40",
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"updated_at": "2021-11-28T01:35:57.055000Z",
"spacegroup": 228
},
{
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{
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{
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}