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{
"id": "jvasp-45563",
"created_at": "2022-09-04T14:37:13.437007Z",
"updated_at": "2022-09-04T14:37:13.437033Z",
"structure_string": "Ti8 O16\n1.0\n5.183303 0.000000 0.000000\n0.000000 5.987251 0.000000\n0.000000 0.000000 9.893183\nTi O\n8 16\ndirect\n0.493217 0.500000 0.736237 Ti\n0.493217 0.500000 0.263763 Ti\n0.506783 0.000000 0.763762 Ti\n0.506783 0.000000 0.236237 Ti\n0.000000 0.250000 0.750000 Ti\n0.000000 0.750000 0.250000 Ti\n0.000000 0.750000 0.750000 Ti\n0.000000 0.250000 0.250000 Ti\n0.333055 0.751088 0.348190 O\n0.333055 0.248912 0.651810 O\n0.333055 0.248912 0.348190 O\n0.333055 0.751088 0.651810 O\n0.666945 0.748912 0.151810 O\n0.666945 0.251088 0.848190 O\n0.832949 0.000000 0.345533 O\n0.166607 0.000000 0.150512 O\n0.167051 0.500000 0.154466 O\n0.167051 0.500000 0.845533 O\n0.666945 0.748912 0.848190 O\n0.166607 0.000000 0.849488 O\n0.833392 0.500000 0.349488 O\n0.833392 0.500000 0.650511 O\n0.832949 0.000000 0.654466 O\n0.666945 0.251088 0.151810 O\n",
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{
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"structure_string": "Pt1 S2 Cl6\n1.0\n4.897811 -0.271387 -0.050607\n-0.781546 6.010423 -0.023445\n-0.994963 -1.774351 7.779418\nPt S Cl\n1 2 6\ndirect\n0.500000 0.500000 0.500000 Pt\n0.207954 0.218718 0.286405 S\n0.792046 0.781281 0.713596 S\n0.560684 0.034942 0.738501 Cl\n0.174544 0.392823 0.672439 Cl\n0.825455 0.607177 0.327561 Cl\n0.218556 0.308321 0.054769 Cl\n0.781443 0.691678 0.945231 Cl\n0.439317 -0.034942 0.261499 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:16.010287Z",
"structure_string": "Li3 Cr1 O4\n1.0\n0.000000 4.889451 0.007681\n2.881599 0.000000 0.000000\n0.000000 -1.453409 -4.668549\nLi Cr O\n3 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Cr\n0.728522 0.000000 0.228509 O\n0.725150 0.500000 0.774837 O\n0.271478 0.000000 0.771491 O\n0.274849 0.500000 0.225163 O\n",
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"volume": 65.74505842239098,
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"formula_full": "Li3 Cr1 O4",
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"spacegroup": 65
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{
"id": "jvasp-109854",
"created_at": "2022-09-04T14:38:17.815546Z",
"updated_at": "2022-09-04T14:38:17.815570Z",
"structure_string": "K2 Y1 Ag1 F6\n1.0\n5.557927 -0.000000 3.208871\n1.852642 5.240064 3.208871\n-0.000000 -0.000000 6.417741\nK Y Ag F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.737261 0.262739 0.262739 F\n0.262739 0.262739 0.737261 F\n0.262739 0.737260 0.737261 F\n0.262739 0.737260 0.262739 F\n0.737261 0.262739 0.737260 F\n0.737261 0.737260 0.262739 F\n",
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"volume": 186.90960338793562,
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"formula_full": "K2 Y1 Ag1 F6",
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{
"id": "jvasp-10191",
"created_at": "2022-09-04T14:37:04.392893Z",
"updated_at": "2022-09-04T14:37:04.392918Z",
"structure_string": "Li6 Te1 O6\n1.0\n5.048219 0.008027 -0.984431\n-1.196435 4.904399 -0.984431\n0.006294 0.008027 5.143305\nLi Te O\n6 1 6\ndirect\n0.696835 0.917064 0.402557 Li\n0.597444 0.303166 0.082937 Li\n0.082937 0.597444 0.303165 Li\n0.303165 0.082937 0.597443 Li\n0.402557 0.696835 0.917063 Li\n0.917064 0.402558 0.696834 Li\n0.000000 0.000000 0.000000 Te\n0.773500 0.680606 0.068647 O\n0.931353 0.226501 0.319394 O\n0.319395 0.931353 0.226501 O\n0.226500 0.319395 0.931352 O\n0.068647 0.773500 0.680605 O\n0.680606 0.068648 0.773499 O\n",
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"elements": [
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"volume": 127.46949366519522,
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{
"id": "jvasp-68893",
"created_at": "2022-09-04T14:35:56.658867Z",
"updated_at": "2022-09-04T14:35:56.658894Z",
"structure_string": "Ca1 Be2 Cu1\n1.0\n2.969719 -0.000000 0.000000\n-0.000000 2.969719 0.000000\n-0.000000 -0.000000 6.629185\nCa Be Cu\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.666374 Be\n0.000000 0.000000 0.333627 Be\n0.500000 0.500000 0.500000 Cu\n",
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"spacegroup": 123
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{
"id": "jvasp-48179",
"created_at": "2022-09-04T14:36:15.606898Z",
"updated_at": "2022-09-04T14:36:15.606922Z",
"structure_string": "Li2 V2 P2 O8\n1.0\n-2.781763 4.637982 0.000000\n2.781763 0.000000 5.694044\n2.781763 4.637982 0.000000\nLi V P O\n2 2 2 8\ndirect\n0.800613 0.250000 0.800613 Li\n0.550614 0.749999 0.550613 Li\n0.436179 0.250000 0.436179 V\n0.186179 0.749999 0.186179 V\n0.123123 0.250000 0.123123 P\n0.873123 0.749999 0.873122 P\n0.784344 0.104273 0.269910 O\n0.306549 0.098330 0.154281 O\n0.752610 0.598330 0.208219 O\n0.874183 0.604273 0.680071 O\n0.154281 0.401669 0.306549 O\n0.269910 0.395727 0.784343 O\n0.680071 0.895726 0.874182 O\n0.208219 0.901669 0.752609 O\n",
"nsites": 14,
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"volume": 146.92645478863676,
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"formula_full": "Li2 V2 P2 O8",
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"spacegroup": 43
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{
"id": "jvasp-107350",
"created_at": "2022-09-04T14:36:55.000471Z",
"updated_at": "2022-09-04T14:36:55.000481Z",
"structure_string": "Co1 Ni1 P2 S6\n1.0\n5.736928 0.000571 0.836621\n-3.049855 4.859087 0.836621\n0.040878 0.073929 6.438612\nCo Ni P S\n1 1 2 6\ndirect\n0.666846 0.333154 -0.000000 Co\n0.332650 0.667350 -0.000000 Ni\n0.061029 0.061033 0.820545 P\n0.938967 0.938972 0.179454 P\n0.069643 0.427887 0.763803 S\n0.437985 0.089234 0.764831 S\n0.910767 0.562016 0.235169 S\n0.572113 0.930358 0.236196 S\n0.730527 0.720525 0.764244 S\n0.279475 0.269474 0.235755 S\n",
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"formula_full": "Co1 Ni1 P2 S6",
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"spacegroup": 5
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{
"id": "jvasp-115037",
"created_at": "2022-09-04T14:38:44.748645Z",
"updated_at": "2022-09-04T14:38:44.748708Z",
"structure_string": "Na1 Ge1 Se1\n1.0\n6.402071 -1.141321 0.000000\n-0.412282 3.677120 0.000000\n0.000000 0.000000 3.637422\nNa Ge Se\n1 1 1\ndirect\n0.411842 0.084459 0.000000 Na\n-0.201305 -0.221852 0.000000 Ge\n0.061491 0.409421 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:37:03.671445Z",
"updated_at": "2022-09-04T14:37:03.671469Z",
"structure_string": "Mg3 As2\n1.0\n2.137778 -3.702740 -0.000000\n2.137778 3.702740 0.000000\n-0.000000 -0.000000 6.763840\nMg As\n3 2\ndirect\n0.666668 0.333334 0.641343 Mg\n0.333334 0.666668 0.358657 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.231787 As\n0.333334 0.666668 0.768213 As\n",
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{
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"created_at": "2022-09-04T14:36:02.588542Z",
"updated_at": "2022-09-04T14:36:02.588559Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.629960 -0.127524 0.000000\n-3.425419 5.677950 0.000000\n0.000000 0.000000 4.895008\nCe Mg Nb\n1 6 1\ndirect\n0.202535 0.297466 0.250000 Ce\n0.183636 0.824121 0.250000 Mg\n0.675879 0.316365 0.250000 Mg\n0.663976 0.836025 0.250000 Mg\n0.325046 0.679959 0.750000 Mg\n0.820042 0.174955 0.750000 Mg\n0.823503 0.676497 0.750000 Mg\n0.305384 0.194616 0.750000 Nb\n",
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{
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"created_at": "2022-09-04T14:36:15.456151Z",
"updated_at": "2022-09-04T14:36:15.456174Z",
"structure_string": "Rb4 Fe4 P8 O28\n1.0\n7.511184 0.007102 0.000000\n-2.234084 8.025736 0.000000\n0.000000 0.000000 10.055144\nRb Fe P O\n4 4 8 28\ndirect\n0.816331 0.455193 0.811058 Rb\n0.816332 0.955193 0.688942 Rb\n0.183668 0.044807 0.311058 Rb\n0.183669 0.544807 0.188942 Rb\n0.764713 0.738361 0.098530 Fe\n0.235287 0.761639 0.598530 Fe\n0.235287 0.261639 0.901470 Fe\n0.764713 0.238361 0.401470 Fe\n0.862259 0.665794 0.407469 P\n0.137741 0.834206 0.907468 P\n0.862259 0.165794 0.092531 P\n0.137741 0.334206 0.592531 P\n0.438821 0.187289 0.635721 P\n0.438821 0.687290 0.864279 P\n0.561179 0.812711 0.364279 P\n0.561179 0.312711 0.135721 P\n0.364780 0.274123 0.080591 O\n0.635219 0.225877 0.580590 O\n0.635220 0.725878 0.919409 O\n0.364781 0.774123 0.419409 O\n0.912182 0.236266 0.232638 O\n0.087818 0.263734 0.732638 O\n0.554380 0.263508 0.283235 O\n0.659021 0.687380 0.443103 O\n0.445620 0.236492 0.783235 O\n0.445620 0.736492 0.716765 O\n0.554380 0.763508 0.216764 O\n-0.004744 0.273066 0.991830 O\n0.004744 0.226935 0.491830 O\n0.004745 0.726935 0.008171 O\n-0.004743 0.773066 0.508170 O\n0.679791 0.487519 0.104714 O\n0.912182 0.736267 0.267362 O\n0.320209 0.012481 0.604714 O\n0.679791 0.987520 0.395286 O\n0.848777 0.982029 0.082949 O\n0.151224 0.517971 0.582948 O\n0.151224 0.017971 0.917051 O\n0.848776 0.482029 0.417051 O\n0.659021 0.187380 0.056897 O\n0.340979 0.312620 0.556897 O\n0.340979 0.812620 0.943103 O\n0.320209 0.512481 0.895286 O\n0.087818 0.763734 0.767362 O\n",
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"formula_full": "Rb4 Fe4 P8 O28",
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}
]
}