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{
"id": "jvasp-44616",
"created_at": "2022-09-04T14:38:10.788273Z",
"updated_at": "2022-09-04T14:38:10.788308Z",
"structure_string": "V4 Fe2 O12\n1.0\n6.707612 -0.026745 -0.081926\n-0.714288 6.669526 0.081926\n-1.443673 1.302527 5.432910\nV Fe O\n4 2 12\ndirect\n0.203249 0.609420 0.760719 V\n0.390580 0.796751 0.260719 V\n0.609420 0.203249 0.739281 V\n0.796751 0.390580 0.239281 V\n0.084274 0.084274 0.750000 Fe\n0.915726 0.915727 0.250000 Fe\n0.807142 0.032077 0.859141 O\n0.622790 0.344019 0.436187 O\n0.627999 0.914598 0.270373 O\n0.655981 0.377210 0.936187 O\n0.344019 0.622790 0.063813 O\n0.192858 0.967923 0.140859 O\n0.377210 0.655981 0.563813 O\n0.914597 0.628000 0.229627 O\n0.085403 0.372001 0.770373 O\n0.032078 0.807143 0.640859 O\n0.372000 0.085403 0.729627 O\n0.967922 0.192857 0.359141 O\n",
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{
"id": "jvasp-42930",
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"structure_string": "Fe5 O4 F8\n1.0\n4.621104 -0.030762 0.000000\n-0.293981 4.611847 0.000000\n0.000000 0.000000 8.485976\nFe O F\n5 4 8\ndirect\n0.000000 0.000000 0.358788 Fe\n0.000000 0.000000 0.974545 Fe\n0.500000 0.500001 0.166667 Fe\n0.500000 0.500001 0.841362 Fe\n0.500000 0.500001 0.491970 Fe\n0.695486 0.695487 -0.000084 O\n0.695486 0.695487 0.333419 O\n0.304513 0.304514 -0.000084 O\n0.304513 0.304514 0.333419 O\n0.776746 0.223254 0.499794 F\n0.191375 0.808625 0.166667 F\n0.223254 0.776747 0.499794 F\n0.223254 0.776747 0.833540 F\n0.307899 0.307899 0.666667 F\n0.692101 0.692102 0.666667 F\n0.776746 0.223254 0.833540 F\n0.808624 0.191376 0.166667 F\n",
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{
"id": "jvasp-45257",
"created_at": "2022-09-04T14:38:10.792235Z",
"updated_at": "2022-09-04T14:38:10.792260Z",
"structure_string": "Sr6 Cd2 Pt2 O12\n1.0\n6.831430 0.035789 -0.047679\n-0.048262 6.831354 -0.047679\n0.035351 0.035789 6.831505\nSr Cd Pt O\n6 2 2 12\ndirect\n0.750000 0.386512 0.113488 Sr\n0.113488 0.750000 0.386512 Sr\n0.386512 0.113488 0.750000 Sr\n0.886512 0.250000 0.613488 Sr\n0.250000 0.613488 0.886513 Sr\n0.613488 0.886512 0.250000 Sr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.948161 0.082960 0.285402 O\n0.582960 0.448161 0.785402 O\n0.214599 0.417040 0.551839 O\n0.551839 0.214599 0.417040 O\n0.417040 0.551839 0.214599 O\n0.917040 0.714598 0.051839 O\n0.051839 0.917040 0.714599 O\n0.714598 0.051839 0.917040 O\n0.785402 0.582960 0.448161 O\n0.448161 0.785401 0.582960 O\n0.285402 0.948160 0.082960 O\n0.082960 0.285401 0.948161 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 6.940646693866062,
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"volume": 318.84709900634977,
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"formula_full": "Sr6 Cd2 Pt2 O12",
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"formula_anonymous": "ABC3D6",
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{
"id": "jvasp-10055",
"created_at": "2022-09-04T14:38:10.796492Z",
"updated_at": "2022-09-04T14:38:10.796510Z",
"structure_string": "Mg2 Co4 O8\n1.0\n5.764526 0.001760 0.000617\n-0.001785 5.764558 -0.000731\n-2.881791 -2.882605 4.076172\nMg Co O\n2 4 8\ndirect\n0.125004 0.875010 0.250006 Mg\n0.874998 0.124991 0.749994 Mg\n0.000000 0.500001 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.500001 0.000000 0.000000 Co\n0.500001 0.500000 0.000000 Co\n0.735849 0.264154 0.028284 O\n0.735846 0.707558 0.471712 O\n0.735869 0.264150 0.471715 O\n0.707566 0.735874 0.971717 O\n0.264133 0.735851 0.528285 O\n0.264156 0.292443 0.528289 O\n0.292436 0.264128 0.028284 O\n0.264153 0.735847 0.971716 O\n",
"nsites": 14,
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"volume": 135.4490917368714,
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{
"id": "jvasp-12217",
"created_at": "2022-09-04T14:38:10.809650Z",
"updated_at": "2022-09-04T14:38:10.809674Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.002616 0.000000 2.888261\n1.667538 4.716511 2.888261\n0.000000 0.000000 5.776523\nZn Fe O\n2 4 8\ndirect\n0.875001 0.875000 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.500001 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.000000 0.500000 0.500000 Fe\n0.500001 0.500000 -0.000000 Fe\n0.736637 0.290091 0.736635 O\n0.736637 0.736636 0.736635 O\n0.263364 0.263364 0.709909 O\n0.263364 0.709909 0.263363 O\n0.263364 0.263364 0.263363 O\n0.736637 0.736636 0.290090 O\n0.290091 0.736636 0.736635 O\n0.709910 0.263364 0.263363 O\n",
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"volume": 136.29644436591857,
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"formula_full": "Zn2 Fe4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-12326",
"created_at": "2022-09-04T14:38:10.814778Z",
"updated_at": "2022-09-04T14:38:10.814804Z",
"structure_string": "Pb4 F12\n1.0\n5.369683 0.000000 0.000000\n0.000000 5.369683 -0.000000\n0.000000 0.000000 9.010591\nPb F\n4 12\ndirect\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.750000 Pb\n0.000000 0.000000 0.250000 Pb\n0.203413 0.204251 0.592177 F\n0.796586 0.795748 0.592177 F\n0.204251 0.796586 0.407823 F\n0.795748 0.203413 0.407823 F\n0.282609 0.282609 0.250000 F\n0.282609 0.717390 0.750000 F\n0.717390 0.282609 0.750000 F\n0.717390 0.717390 0.250000 F\n0.796586 0.204251 0.092177 F\n0.204251 0.203413 0.907823 F\n0.795748 0.796586 0.907823 F\n0.203413 0.795748 0.092177 F\n",
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"volume": 259.8068352354585,
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{
"id": "jvasp-9801",
"created_at": "2022-09-04T14:38:10.821065Z",
"updated_at": "2022-09-04T14:38:10.821098Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n5.912843 -0.000000 -3.104319\n-1.629806 5.683789 -3.104319\n-0.273322 -0.362714 6.662700\nMg Sb O\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 0.000000 0.500000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.750426 0.751282 0.500853 O\n0.750429 0.249574 0.999146 O\n0.248719 0.249574 0.999147 O\n0.249573 0.248719 0.499146 O\n0.249573 0.750429 0.499146 O\n0.249570 0.750427 0.000853 O\n0.750427 0.249571 0.500853 O\n0.751281 0.750427 0.000853 O\n",
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{
"id": "jvasp-18021",
"created_at": "2022-09-04T14:38:10.824710Z",
"updated_at": "2022-09-04T14:38:10.824734Z",
"structure_string": "Ce2 Pt2\n1.0\n3.622780 0.000000 -1.297453\n0.000000 4.402872 -0.000000\n0.057745 -0.000000 5.867771\nCe Pt\n2 2\ndirect\n0.863765 0.250000 0.727533 Ce\n0.136233 0.750000 0.272467 Ce\n0.596599 0.250000 0.193199 Pt\n0.403399 0.750000 0.806800 Pt\n",
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{
"id": "jvasp-59274",
"created_at": "2022-09-04T14:38:10.826541Z",
"updated_at": "2022-09-04T14:38:10.826566Z",
"structure_string": "Sr2 Li2 Ta4 O12 F2\n1.0\n7.440554 -0.036316 -0.013273\n3.688827 6.461866 -0.013273\n3.698956 2.135594 6.040369\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.625000 0.124999 0.625001 Sr\n0.125000 0.625000 0.625001 Sr\n0.625000 0.625000 0.125001 Li\n0.625000 0.624999 0.625001 Li\n0.625000 0.124999 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.813255 0.813255 0.186746 O\n0.809422 0.189411 0.806078 O\n0.809421 0.189411 0.195090 O\n0.189412 0.809421 0.806078 O\n0.196753 0.196752 0.803248 O\n0.436744 0.436744 0.063256 O\n0.189412 0.809421 0.195090 O\n0.440579 0.060588 0.054911 O\n0.060588 0.440579 0.443923 O\n0.053248 0.053247 0.446753 O\n0.060588 0.440579 0.054911 O\n0.440579 0.060588 0.443923 O\n0.724146 0.724145 0.775855 F\n0.525854 0.525854 0.474146 F\n",
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{
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"structure_string": "Sm2 Tl1 Zn1\n1.0\n-0.000000 3.746897 3.746897\n3.746897 -0.000000 3.746897\n3.746897 3.746897 -0.000000\nSm Tl Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250001 0.250001 0.250001 Tl\n0.750002 0.750002 0.750002 Zn\n",
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{
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"updated_at": "2022-09-04T14:38:10.830496Z",
"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n-0.037951 4.172356 4.172356\n4.172356 -0.037951 4.172356\n4.172356 4.172356 -0.037951\nLi Ti Fe O\n2 3 1 8\ndirect\n0.119910 0.119910 0.119910 Li\n0.500032 0.500032 0.500032 Li\n0.498432 0.008323 0.498432 Ti\n0.498432 0.498432 0.008323 Ti\n0.008323 0.498432 0.498432 Ti\n0.882354 0.882354 0.882354 Fe\n0.259007 0.259007 0.259007 O\n0.712696 0.251535 0.251535 O\n0.251535 0.712696 0.251535 O\n0.251535 0.251535 0.712696 O\n0.746522 0.746522 0.281484 O\n0.746522 0.281484 0.746522 O\n0.281484 0.746522 0.746522 O\n0.743224 0.743224 0.743224 O\n",
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{
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}
]
}