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{
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"structure_string": "Rb12 Fe4 S12\n1.0\n12.786297 0.000000 0.000000\n-0.000000 6.324883 4.772149\n-0.000000 0.043940 10.245245\nRb Fe S\n12 4 12\ndirect\n0.925193 0.639338 0.612385 Rb\n0.425193 0.360662 0.887615 Rb\n0.074807 0.360662 0.387615 Rb\n0.574807 0.639338 0.112385 Rb\n0.635840 0.611934 0.514276 Rb\n0.135840 0.388065 0.985724 Rb\n0.364161 0.388065 0.485724 Rb\n0.864161 0.611934 0.014276 Rb\n0.810875 0.126769 0.576747 Rb\n0.310875 0.873230 0.923252 Rb\n0.189125 0.873230 0.423253 Rb\n0.689125 0.126769 0.076748 Rb\n0.945075 0.939003 0.148692 Fe\n0.445075 0.060997 0.351308 Fe\n0.054925 0.060997 0.851307 Fe\n0.554925 0.939003 0.648692 Fe\n0.110495 0.866882 0.117003 S\n0.610495 0.133117 0.382997 S\n0.889506 0.133117 0.882996 S\n0.389506 0.866882 0.617003 S\n0.052260 0.882207 0.746304 S\n0.552260 0.117793 0.753696 S\n0.947740 0.117793 0.253696 S\n0.447740 0.882207 0.246304 S\n0.660045 0.652740 0.801817 S\n0.160045 0.347260 0.698182 S\n0.339956 0.347260 0.198182 S\n0.839956 0.652740 0.301818 S\n",
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},
{
"id": "jvasp-113006",
"created_at": "2022-09-04T14:38:44.750798Z",
"updated_at": "2022-09-04T14:38:44.750831Z",
"structure_string": "Sm4 Zn2 Pt2 O12\n1.0\n5.842721 0.000000 0.000000\n-0.000000 4.457508 3.090971\n0.000000 0.008080 9.443554\nSm Zn Pt O\n4 2 2 12\ndirect\n0.424622 0.228667 0.749385 Sm\n0.575378 0.771333 0.250615 Sm\n0.924622 0.771333 0.750614 Sm\n0.075378 0.228667 0.249385 Sm\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n0.808575 0.254399 0.054817 O\n0.191424 0.745601 0.945183 O\n0.800510 0.875755 0.442688 O\n0.199490 0.124245 0.557311 O\n0.300510 0.124245 0.057311 O\n0.960049 0.636629 0.248577 O\n0.460049 0.363371 0.251422 O\n0.539951 0.636629 0.748577 O\n0.691424 0.254399 0.554816 O\n0.039951 0.363371 0.751422 O\n0.699490 0.875755 0.942688 O\n0.308575 0.745601 0.445183 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Zn",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sm-Zn",
"density": 8.879691092122709,
"density_atomic": 0.08136637984873743,
"volume": 245.80176772249925,
"volume_molar": 7.401264221408575,
"formula_full": "Sm4 Zn2 Pt2 O12",
"formula_reduced": "Sm2ZnPtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.981241055,
"spacegroup": 14
},
{
"id": "jvasp-116792",
"created_at": "2022-09-04T14:38:44.801794Z",
"updated_at": "2022-09-04T14:38:44.801811Z",
"structure_string": "K8 Co4 O8\n1.0\n6.462618 0.074026 -0.000020\n-3.117953 6.061410 -0.000002\n-0.000038 -0.000009 9.527650\nK Co O\n8 4 8\ndirect\n0.743677 0.357575 0.235801 K\n0.256322 0.142419 0.735800 K\n0.743671 0.857576 0.264203 K\n0.256331 0.642428 0.764201 K\n0.213324 0.394932 0.412114 K\n0.786677 0.105070 0.912113 K\n0.786683 0.605123 0.587882 K\n0.213320 0.894879 0.087884 K\n0.695881 0.591355 0.932578 Co\n0.304118 0.908647 0.432577 Co\n0.695890 0.091409 0.567422 Co\n0.304112 0.408592 0.067422 Co\n0.492223 0.199207 0.482220 O\n0.492220 0.699156 0.017782 O\n0.507779 0.300794 0.982219 O\n0.507783 0.800847 0.517783 O\n0.952603 0.776982 0.850415 O\n0.047391 0.723014 0.350414 O\n0.047380 0.222991 0.149585 O\n0.952624 0.277013 0.649586 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 2.992311359876349,
"density_atomic": 0.05327342846178602,
"volume": 375.4216797656708,
"volume_molar": 11.304210999522565,
"formula_full": "K8 Co4 O8",
"formula_reduced": "K2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0661027800000005,
"spacegroup": 14
}
]
}