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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-9801",
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"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-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",
"nsites": 16,
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"volume": 259.8068352354585,
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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",
"nsites": 14,
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"elements": [
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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-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",
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"formula_full": "Mg2 Co4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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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",
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"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-42930",
"created_at": "2022-09-04T14:38:10.792219Z",
"updated_at": "2022-09-04T14:38:10.792252Z",
"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-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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"formula_full": "V4 Fe2 O12",
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{
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"created_at": "2022-09-04T14:38:10.787709Z",
"updated_at": "2022-09-04T14:38:10.787733Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256743 -0.000251 1.001800\n1.174942 8.644123 4.554686\n0.030786 0.049527 9.411794\nPb Se Br\n4 1 6\ndirect\n-0.008620 0.008964 0.005333 Pb\n0.230513 0.547126 0.988879 Pb\n0.500421 0.530607 0.465712 Pb\n0.738583 0.019597 0.500097 Pb\n0.027093 0.690449 0.252465 Se\n0.363555 0.090385 0.179614 Br\n0.636301 0.844047 0.880365 Br\n0.107772 0.183822 0.597559 Br\n0.875114 0.423724 0.823059 Br\n0.313817 0.770854 0.598406 Br\n0.694063 0.372107 0.236807 Br\n",
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{
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"created_at": "2022-09-04T14:38:10.781646Z",
"updated_at": "2022-09-04T14:38:10.781670Z",
"structure_string": "Yb4 V4 O14\n1.0\n6.094993 -0.000000 3.518946\n2.031665 5.746414 3.518946\n-0.000000 -0.000000 7.037891\nYb V O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.000001 Yb\n-0.000000 0.499999 0.000002 Yb\n0.000000 0.000000 0.500001 Yb\n0.500001 0.499999 0.500001 V\n0.500001 0.499999 0.000002 V\n-0.000000 0.499999 0.500000 V\n0.500000 0.000000 0.500000 V\n0.566100 0.183901 0.566100 O\n0.183901 0.566099 0.183900 O\n0.183899 0.183901 0.566100 O\n0.874999 0.874999 0.875003 O\n0.433900 0.433899 0.816101 O\n0.816100 0.433899 0.433901 O\n0.433900 0.816100 0.433901 O\n0.816100 0.433899 0.816101 O\n0.433900 0.816100 0.816101 O\n0.566100 0.566099 0.183901 O\n0.816099 0.816100 0.433901 O\n0.124999 0.125000 0.125001 O\n0.566100 0.183901 0.183900 O\n0.183901 0.566099 0.566101 O\n",
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{
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"structure_string": "K2 Li8 Cr2 O10\n1.0\n5.544533 -0.010260 0.007481\n-2.755481 5.067325 -0.032409\n-1.185305 -0.900496 8.055575\nK Li Cr O\n2 8 2 10\ndirect\n0.396522 0.251118 0.590719 K\n0.603476 0.748880 0.409281 K\n0.439006 0.640276 0.914509 Li\n0.330371 -0.000378 0.874628 Li\n0.899540 0.614496 0.914628 Li\n0.115637 0.669644 0.623611 Li\n0.884361 0.330354 0.376389 Li\n0.100458 0.385502 0.085372 Li\n0.669627 0.000377 0.125372 Li\n0.560993 0.359722 0.085491 Li\n0.136159 0.909523 0.220976 Cr\n0.863840 0.090475 0.779024 Cr\n0.224441 0.267050 0.913507 O\n0.748870 0.232433 0.940666 O\n0.487708 0.833939 0.726355 O\n0.942342 0.824851 0.729939 O\n0.911056 0.275297 0.617418 O\n0.088943 0.724702 0.382582 O\n0.057656 0.175147 0.270061 O\n0.512290 0.166059 0.273646 O\n0.251128 0.767565 0.059334 O\n0.775557 0.732948 0.086493 O\n",
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],
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"formula_full": "K2 Li8 Cr2 O10",
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"formula_anonymous": "ABC4D5",
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},
{
"id": "jvasp-76973",
"created_at": "2022-09-04T14:38:10.777090Z",
"updated_at": "2022-09-04T14:38:10.777114Z",
"structure_string": "Zn2 Cu1 Rh1\n1.0\n-8.289637 -0.000000 -4.786025\n-8.452063 -0.087956 5.067354\n-5.539104 8.151136 0.021960\nZn Cu Rh\n2 1 1\ndirect\n0.753350 -0.000000 -0.000000 Zn\n0.246651 -0.000000 -0.000000 Zn\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Rh\n",
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}
]
}