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{
"id": "jvasp-56650",
"created_at": "2022-09-04T14:38:12.864515Z",
"updated_at": "2022-09-04T14:38:12.864544Z",
"structure_string": "Na12 Fe4 O12\n1.0\n5.749903 -0.014267 2.163919\n2.518242 7.926131 1.816706\n-0.021276 0.031049 8.512584\nNa Fe O\n12 4 12\ndirect\n0.381456 0.251573 0.207354 Na\n0.517298 0.350087 0.826104 Na\n0.881456 0.207354 0.251574 Na\n0.968344 0.721313 0.771838 Na\n0.222819 0.021436 0.961482 Na\n0.001873 0.060181 0.633828 Na\n0.468344 0.771837 0.721314 Na\n0.722819 0.961482 0.021437 Na\n0.501874 0.633828 0.060181 Na\n0.948410 0.437113 0.523579 Na\n0.448410 0.523579 0.437114 Na\n0.017299 0.826103 0.350088 Na\n0.455906 0.877415 0.354624 Fe\n0.531463 0.123089 0.599112 Fe\n0.031463 0.599112 0.123090 Fe\n0.955906 0.354623 0.877415 Fe\n0.686807 0.688381 0.228006 O\n0.121259 0.398539 0.011142 O\n0.703067 0.282518 0.533123 O\n0.621259 0.011141 0.398539 O\n0.186807 0.228005 0.688382 O\n0.203067 0.533123 0.282519 O\n0.252665 0.787392 0.543074 O\n0.632410 0.969481 0.773231 O\n0.132411 0.773230 0.969481 O\n0.768774 0.217439 0.012432 O\n0.752664 0.543073 0.787392 O\n0.268774 0.012432 0.217439 O\n",
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{
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"formula_full": "V2 Rh2 O8",
"formula_reduced": "VRhO4",
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{
"id": "jvasp-109734",
"created_at": "2022-09-04T14:38:12.872620Z",
"updated_at": "2022-09-04T14:38:12.872648Z",
"structure_string": "In1 Cu1 Ge1 S4\n1.0\n5.026793 0.043496 -4.028562\n-1.132208 4.897820 -4.028562\n-0.034282 -0.043496 6.441799\nIn Cu Ge S\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Ge\n0.373916 0.369749 0.469804 S\n0.899944 0.904113 0.530196 S\n0.630250 0.100056 0.004168 S\n0.095888 0.626083 0.995832 S\n",
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"volume": 157.1667998303774,
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"formula_full": "In1 Cu1 Ge1 S4",
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"spacegroup": 82
},
{
"id": "jvasp-58570",
"created_at": "2022-09-04T14:38:12.875196Z",
"updated_at": "2022-09-04T14:38:12.875216Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n2.925529 0.000000 -0.000000\n-1.462764 4.826364 -0.000000\n0.000000 -0.000000 9.418841\nZn Cu O\n2 4 8\ndirect\n0.391272 0.782542 0.750000 Zn\n0.608729 0.217457 0.250000 Zn\n0.868232 0.736463 0.069798 Cu\n0.131769 0.263536 0.930202 Cu\n0.868232 0.736463 0.430202 Cu\n0.131769 0.263536 0.569798 Cu\n0.221619 0.443237 0.387140 O\n0.778382 0.556762 0.612860 O\n0.778382 0.556762 0.887140 O\n0.221619 0.443237 0.112860 O\n0.958532 0.917061 0.250000 O\n0.041470 0.082938 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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"elements": [
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"volume": 132.99090641952336,
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"formula_full": "Zn2 Cu4 O8",
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{
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"created_at": "2022-09-04T14:38:12.881119Z",
"updated_at": "2022-09-04T14:38:12.881150Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.007200 -0.012049 -2.880943\n-3.329213 4.720397 -0.015238\n-0.008757 0.012118 5.776886\nZn Fe O\n2 4 8\ndirect\n0.250054 0.125029 0.875003 Zn\n0.749947 0.874971 0.124998 Zn\n0.500001 0.000000 0.500001 Fe\n0.499999 0.500000 0.500000 Fe\n0.000001 0.500001 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.026726 0.736645 0.263376 O\n0.473257 0.736642 0.709906 O\n0.473241 0.736601 0.263356 O\n0.973277 0.709911 0.736638 O\n0.526761 0.263400 0.736646 O\n0.526743 0.263358 0.290095 O\n0.026721 0.290089 0.263363 O\n0.973276 0.263357 0.736627 O\n",
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"updated_at": "2022-09-04T14:38:12.885538Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
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"volume": 75.07304307677907,
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"formula_full": "Np1 Mn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-17998",
"created_at": "2022-09-04T14:38:12.895561Z",
"updated_at": "2022-09-04T14:38:12.895586Z",
"structure_string": "Dy2 Ag2 Sn2\n1.0\n2.356451 -4.081494 0.000000\n2.356451 4.081494 0.000000\n0.000000 0.000000 7.387103\nDy Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.275690 Dy\n0.000000 0.000000 0.775690 Dy\n0.666667 0.333333 0.461075 Ag\n0.333333 0.666667 0.961074 Ag\n0.333333 0.666667 0.555234 Sn\n0.666667 0.333333 0.055235 Sn\n",
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{
"id": "jvasp-51101",
"created_at": "2022-09-04T14:38:12.899554Z",
"updated_at": "2022-09-04T14:38:12.899579Z",
"structure_string": "Sr1 Cr1 W2\n1.0\n-0.000000 3.262741 3.262741\n3.262741 0.000000 3.262741\n3.262741 3.262741 0.000000\nSr Cr W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n",
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{
"id": "jvasp-1393",
"created_at": "2022-09-04T14:38:12.905029Z",
"updated_at": "2022-09-04T14:38:12.905049Z",
"structure_string": "Ga1 P1\n1.0\n3.367722 0.000000 1.944355\n1.122574 3.175118 1.944355\n0.000000 0.000000 3.888710\nGa P\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 P\n",
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{
"id": "jvasp-12475",
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"updated_at": "2022-09-04T14:38:12.909441Z",
"structure_string": "Bi4 Te7 Pb1\n1.0\n2.238824 -3.877755 0.000000\n2.238824 3.877755 -0.000000\n-0.000000 0.000000 24.574039\nBi Te Pb\n4 7 1\ndirect\n0.666666 0.333332 0.416931 Bi\n0.333332 0.666666 0.836608 Bi\n0.666666 0.333332 0.163392 Bi\n0.333332 0.666666 0.583069 Bi\n0.000000 0.000000 0.500000 Te\n0.333332 0.666666 0.346995 Te\n0.666666 0.333332 0.653005 Te\n0.000000 0.000000 0.232842 Te\n0.000000 0.000000 0.767158 Te\n0.666666 0.333332 0.919912 Te\n0.333332 0.666666 0.080088 Te\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:12.912373Z",
"updated_at": "2022-09-04T14:38:12.912407Z",
"structure_string": "Cd6 I12\n1.0\n4.286538 0.000000 -0.000000\n-2.143269 3.712251 -0.000000\n-0.000000 0.000000 41.267601\nCd I\n6 12\ndirect\n0.333333 0.666667 0.874962 Cd\n0.333333 0.666667 0.708356 Cd\n0.666667 0.333333 0.041678 Cd\n0.333333 0.666667 0.374968 Cd\n0.333333 0.666667 0.541665 Cd\n0.666667 0.333333 0.208308 Cd\n-0.000000 -0.000000 0.832946 I\n0.666667 0.333333 0.750363 I\n0.666667 0.333333 0.583679 I\n0.000000 0.000000 -0.000359 I\n0.666667 0.333333 0.416971 I\n-0.000000 -0.000000 0.666335 I\n-0.000000 -0.000000 0.332935 I\n0.333333 0.666667 0.250312 I\n-0.000000 -0.000000 0.166289 I\n0.333333 0.666667 0.083678 I\n0.666667 0.333333 0.916969 I\n-0.000000 -0.000000 0.499645 I\n",
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{
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"updated_at": "2022-09-04T14:38:12.913007Z",
"structure_string": "Lu2 S2 Br2\n1.0\n5.262178 0.000000 0.000000\n0.000000 3.943033 0.000000\n0.000000 0.000000 7.990013\nLu S Br\n2 2 2\ndirect\n0.750000 0.750000 0.636589 Lu\n0.250000 0.250000 0.363411 Lu\n0.750000 0.250000 0.408556 S\n0.250000 0.750000 0.591444 S\n0.250000 0.750000 0.123763 Br\n0.750000 0.250000 0.876237 Br\n",
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}