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{
"id": "jvasp-119609",
"created_at": "2022-09-04T14:38:49.543184Z",
"updated_at": "2022-09-04T14:38:49.543209Z",
"structure_string": "Cr8 B8 Ir4\n1.0\n2.911990 0.000000 0.000000\n0.000000 7.206987 0.000000\n0.000000 -0.000000 9.308523\nCr B Ir\n8 8 4\ndirect\n0.500000 0.810384 0.139383 Cr\n0.500000 0.189616 0.860617 Cr\n-0.000000 0.689616 0.639382 Cr\n-0.000000 0.310384 0.360617 Cr\n0.500000 0.562719 0.859383 Cr\n0.500000 0.437282 0.140617 Cr\n-0.000000 0.937282 0.359383 Cr\n-0.000000 0.062718 0.640617 Cr\n-0.000000 0.626550 0.226919 B\n-0.000000 0.373450 0.773081 B\n0.500000 0.873451 0.726919 B\n0.500000 0.126550 0.273081 B\n0.500000 0.883815 0.537166 B\n-0.000000 0.383815 0.962833 B\n0.500000 0.116186 0.462833 B\n-0.000000 0.616186 0.037167 B\n-0.000000 0.874300 0.895190 Ir\n0.500000 0.625701 0.395190 Ir\n0.500000 0.374300 0.604810 Ir\n-0.000000 0.125701 0.104810 Ir\n",
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{
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"created_at": "2022-09-04T14:38:49.542541Z",
"updated_at": "2022-09-04T14:38:49.542566Z",
"structure_string": "Li8 Cr4 O8\n1.0\n5.468772 0.166204 0.000019\n1.464047 6.344712 0.000015\n-0.000020 -0.000009 5.684857\nLi Cr O\n8 4 8\ndirect\n0.634730 0.326527 0.499998 Li\n0.634731 0.826526 0.750000 Li\n0.634730 0.326527 -0.000003 Li\n0.634731 0.826526 0.250000 Li\n0.365271 0.673472 0.499997 Li\n0.365270 0.173473 0.750000 Li\n0.365271 0.673472 -0.000003 Li\n0.365270 0.173473 0.250000 Li\n0.000000 -0.000000 -0.000029 Cr\n0.000000 0.500000 0.750031 Cr\n0.000000 -0.000000 0.499971 Cr\n0.000000 0.500000 0.250030 Cr\n0.263506 0.400447 0.500023 O\n0.263508 0.900447 0.749978 O\n0.263506 0.400448 0.000023 O\n0.263508 0.900447 0.249978 O\n0.736495 0.599551 0.500023 O\n0.736492 0.099552 0.749979 O\n0.736495 0.599551 0.000023 O\n0.736492 0.099552 0.249979 O\n",
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{
"id": "jvasp-113493",
"created_at": "2022-09-04T14:38:49.538837Z",
"updated_at": "2022-09-04T14:38:49.538864Z",
"structure_string": "Rb2 Cl2\n1.0\n4.637368 -0.000000 -0.000000\n0.000000 4.637368 -0.000000\n0.000000 0.000000 6.581045\nRb Cl\n2 2\ndirect\n0.000000 0.000000 0.250016 Rb\n0.500000 0.500000 0.749984 Rb\n0.000000 0.000000 0.749988 Cl\n0.500000 0.500000 0.250011 Cl\n",
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"elements": [
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"formula_full": "Rb2 Cl2",
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{
"id": "jvasp-117229",
"created_at": "2022-09-04T14:38:49.532002Z",
"updated_at": "2022-09-04T14:38:49.532032Z",
"structure_string": "Ba3 La1 Ta3 O12\n1.0\n5.529967 -0.000578 8.153952\n2.503765 4.930689 8.153952\n-0.000942 -0.000578 9.852282\nBa La Ta O\n3 1 3 12\ndirect\n0.710965 0.710963 0.710962 Ba\n0.287878 0.287877 0.287877 Ba\n0.133079 0.133079 0.133079 Ba\n0.855487 0.855485 0.855484 La\n0.576451 0.576450 0.576449 Ta\n0.423605 0.423604 0.423603 Ta\n0.999618 0.999616 0.999615 Ta\n0.624534 0.124382 0.624532 O\n0.875005 0.378859 0.378859 O\n0.378860 0.378859 0.875003 O\n0.378860 0.875004 0.378858 O\n0.289118 0.795120 0.795119 O\n0.711015 0.208191 0.208191 O\n0.795121 0.289116 0.795119 O\n0.624534 0.624532 0.124382 O\n0.208192 0.208191 0.711014 O\n0.208192 0.711015 0.208191 O\n0.795122 0.795120 0.289115 O\n0.124384 0.624532 0.624532 O\n",
"nsites": 19,
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"elements": [
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"volume": 268.704112319631,
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"formula_full": "Ba3 La1 Ta3 O12",
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{
"id": "jvasp-114104",
"created_at": "2022-09-04T14:38:49.530804Z",
"updated_at": "2022-09-04T14:38:49.530825Z",
"structure_string": "Mg1 Ag1 O1\n1.0\n5.312646 -1.446972 0.000000\n-3.774196 4.003805 0.000000\n0.000000 0.000000 3.431333\nMg Ag O\n1 1 1\ndirect\n0.039052 0.294859 0.000000 Mg\n0.314875 0.018309 0.000000 Ag\n0.646072 0.686832 0.000000 O\n",
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"volume": 54.24814865816387,
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"formula_full": "Mg1 Ag1 O1",
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{
"id": "jvasp-116214",
"created_at": "2022-09-04T14:38:49.530354Z",
"updated_at": "2022-09-04T14:38:49.530377Z",
"structure_string": "K1 Te1\n1.0\n5.795922 -0.000000 0.000000\n-2.897961 5.019416 -0.000000\n-0.000000 -0.000000 3.269408\nK Te\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.000000 Te\n",
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"formula_full": "K1 Te1",
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{
"id": "jvasp-117235",
"created_at": "2022-09-04T14:38:49.523465Z",
"updated_at": "2022-09-04T14:38:49.523488Z",
"structure_string": "Ni4 Ge4 N8\n1.0\n5.382604 -0.000000 0.000000\n0.000000 6.436040 0.000000\n0.000000 -0.000000 5.164328\nNi Ge N\n4 4 8\ndirect\n0.576096 0.876945 0.997025 Ni\n0.423903 0.123055 0.497024 Ni\n0.923903 0.376945 0.497024 Ni\n0.076096 0.623055 0.997025 Ni\n0.578220 0.375663 0.998443 Ge\n0.421779 0.624337 0.498443 Ge\n0.921778 0.875663 0.498443 Ge\n0.078221 0.124337 0.998443 Ge\n0.573098 0.385416 0.363589 N\n0.426901 0.614584 0.863590 N\n0.926901 0.885416 0.863590 N\n0.073099 0.114584 0.363589 N\n0.591991 0.862820 0.381945 N\n0.408008 0.137180 0.881946 N\n0.908007 0.362820 0.881946 N\n0.091992 0.637180 0.381945 N\n",
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{
"id": "jvasp-114082",
"created_at": "2022-09-04T14:38:49.521403Z",
"updated_at": "2022-09-04T14:38:49.521429Z",
"structure_string": "Ba1 Sr1 S2\n1.0\n4.416504 0.000000 0.000000\n0.000000 4.416504 0.000000\n-0.000000 0.000000 6.247580\nBa Sr S\n1 1 2\ndirect\n0.000000 0.000000 0.250032 Ba\n0.500000 0.500000 0.750004 Sr\n0.000000 0.000000 0.750017 S\n0.500000 0.500000 0.249947 S\n",
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"volume": 121.86221905925152,
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{
"id": "jvasp-111288",
"created_at": "2022-09-04T14:38:49.518384Z",
"updated_at": "2022-09-04T14:38:49.518412Z",
"structure_string": "Nd6 Er2\n1.0\n7.284662 0.000000 0.000000\n-3.642332 6.308702 0.000000\n0.000000 -0.000000 5.834108\nNd Er\n6 2\ndirect\n0.167819 0.335638 0.250000 Nd\n0.664362 0.832181 0.250000 Nd\n0.167819 0.832181 0.250000 Nd\n0.832181 0.664362 0.750000 Nd\n0.335638 0.167819 0.750000 Nd\n0.832181 0.167819 0.750000 Nd\n0.333333 0.666666 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
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{
"id": "jvasp-117226",
"created_at": "2022-09-04T14:38:49.517896Z",
"updated_at": "2022-09-04T14:38:49.517924Z",
"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.322355 -0.030380 -1.289524\n-1.923083 5.051172 -1.375390\n0.089112 -0.010583 7.163459\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.164410 0.833225 0.779851 Ca\n0.835589 0.166775 0.220150 Ca\n0.500000 0.500000 0.000000 Ti\n0.179486 0.816210 0.249815 Si\n0.820513 0.183791 0.750186 Si\n0.500000 0.500000 0.500000 Sn\n0.226826 0.111988 0.401761 O\n0.111188 0.259489 0.925907 O\n0.773173 0.888013 0.598240 O\n0.888812 0.740511 0.074094 O\n0.580843 0.422020 0.239012 O\n0.419156 0.577980 0.760989 O\n0.594399 0.181682 0.870436 O\n0.174986 0.611359 0.380314 O\n0.405600 0.818318 0.129565 O\n0.825013 0.388641 0.619687 O\n",
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"volume": 192.64530313007182,
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"formula_full": "Ca2 Ti1 Si2 Sn1 O10",
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{
"id": "jvasp-110813",
"created_at": "2022-09-04T14:38:49.517440Z",
"updated_at": "2022-09-04T14:38:49.517457Z",
"structure_string": "La2 Sn1 Hg1\n1.0\n4.804661 -0.000000 2.773972\n1.601554 4.529878 2.773972\n-0.000000 -0.000000 5.547945\nLa Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.749999 0.750000 0.749999 La\n0.000000 0.000000 0.000000 Sn\n0.499999 0.500000 0.499999 Hg\n",
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{
"id": "jvasp-119419",
"created_at": "2022-09-04T14:38:49.516989Z",
"updated_at": "2022-09-04T14:38:49.517025Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n6.547968 -0.008495 2.459639\n2.794073 5.921918 2.459639\n0.386735 0.244799 14.065245\nNb Ir Se\n6 2 16\ndirect\n0.908233 0.628327 0.748488 Nb\n0.628327 0.908233 0.248487 Nb\n0.897184 0.102816 0.750000 Nb\n0.371672 0.091766 0.751513 Nb\n0.091766 0.371672 0.251513 Nb\n0.102816 0.897184 0.250000 Nb\n0.672351 0.327649 0.250000 Ir\n0.327648 0.672351 0.750000 Ir\n0.373050 0.580697 0.139538 Se\n0.349261 0.121197 0.117902 Se\n0.124816 0.893850 0.894848 Se\n0.878803 0.650738 0.382099 Se\n0.893850 0.124817 0.394848 Se\n0.159929 0.388706 0.878310 Se\n0.875183 0.106150 0.105153 Se\n0.580697 0.373050 0.639538 Se\n0.388706 0.159930 0.378310 Se\n0.840070 0.611294 0.121691 Se\n0.650738 0.878803 0.882099 Se\n0.121196 0.349261 0.617902 Se\n0.419303 0.626950 0.360463 Se\n0.106150 0.875183 0.605153 Se\n0.611294 0.840070 0.621691 Se\n0.626950 0.419303 0.860463 Se\n",
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"formula_full": "Nb6 Ir2 Se16",
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}