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{
"id": "jvasp-57252",
"created_at": "2022-09-04T14:37:19.710538Z",
"updated_at": "2022-09-04T14:37:19.710548Z",
"structure_string": "Ba4 Cr4 F20\n1.0\n4.907834 0.000000 0.000000\n0.000000 5.741416 0.000000\n0.000000 0.000000 14.035339\nBa Cr F\n4 4 20\ndirect\n0.227835 0.658471 0.658388 Ba\n0.727835 0.841530 0.341612 Ba\n0.772164 0.158471 0.841613 Ba\n0.272164 0.341530 0.158388 Ba\n0.830992 0.145930 0.583902 Cr\n0.330992 0.354071 0.416098 Cr\n0.169008 0.645930 0.916099 Cr\n0.669007 0.854071 0.083902 Cr\n0.802847 0.602741 0.161618 F\n0.136080 0.151756 0.667315 F\n0.636079 0.348245 0.332685 F\n0.513252 0.126897 0.498565 F\n0.363920 0.848245 0.167315 F\n0.013253 0.373103 0.501435 F\n0.302847 0.897260 0.838382 F\n0.863919 0.651756 0.832685 F\n0.197152 0.102741 0.338382 F\n0.681045 0.922926 0.670077 F\n0.318954 0.422926 0.829923 F\n0.818953 0.077074 0.170077 F\n0.986746 0.873103 0.998565 F\n0.181046 0.577075 0.329923 F\n0.018754 0.396360 0.987351 F\n0.518753 0.103640 0.012649 F\n0.981245 0.896361 0.512649 F\n0.481246 0.603640 0.487351 F\n0.697152 0.397259 0.661618 F\n0.486747 0.626898 0.001435 F\n",
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{
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"structure_string": "Ga4 S4\n1.0\n1.810385 -3.135678 0.000000\n1.810385 3.135678 0.000000\n0.000000 0.000000 15.583635\nGa S\n4 4\ndirect\n0.333332 0.666666 0.671205 Ga\n0.666666 0.333332 0.171205 Ga\n0.666666 0.333332 0.328794 Ga\n0.333332 0.666666 0.828794 Ga\n0.333332 0.666666 0.101617 S\n0.666666 0.333332 0.601617 S\n0.666666 0.333332 0.898382 S\n0.333332 0.666666 0.398383 S\n",
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{
"id": "jvasp-2523",
"created_at": "2022-09-04T14:36:37.069537Z",
"updated_at": "2022-09-04T14:36:37.069563Z",
"structure_string": "K2 Au2 S2\n1.0\n4.996287 0.003770 0.000000\n-1.074910 4.879290 0.000000\n0.000000 0.000000 6.741963\nK Au S\n2 2 2\ndirect\n0.625609 0.374390 0.250000 K\n0.374391 0.625609 0.750000 K\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.207462 0.792538 0.250000 S\n0.792539 0.207462 0.750000 S\n",
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"density_atomic": 0.036499649184239966,
"volume": 164.3851416136546,
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{
"id": "jvasp-79219",
"created_at": "2022-09-04T14:37:15.493272Z",
"updated_at": "2022-09-04T14:37:15.493299Z",
"structure_string": "Tm2 Te2\n1.0\n-2.068558 -3.582817 0.000000\n-2.068558 3.582817 -0.000000\n0.000000 -0.000000 -7.595382\nTm Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.666666 0.333335 0.750000 Te\n0.333335 0.666666 0.250000 Te\n",
"nsites": 4,
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"elements": [
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"density": 8.747459716263458,
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"volume": 112.58277403047099,
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"formula_full": "Tm2 Te2",
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},
{
"id": "jvasp-12977",
"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
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"density_atomic": 0.033604986946727866,
"volume": 535.6347862456964,
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"formula_full": "Pd2 Pb4 Br12",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-102439",
"created_at": "2022-09-04T14:36:40.924240Z",
"updated_at": "2022-09-04T14:36:40.924271Z",
"structure_string": "Li1 H1 F2\n1.0\n2.575374 -0.007995 1.456994\n0.863951 2.426150 1.456994\n0.036670 0.025782 5.371707\nLi H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 -0.000000 0.500000 H\n0.812522 0.812525 0.758860 F\n0.187476 0.187476 0.241139 F\n",
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"H",
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"spacegroup": 12
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{
"id": "jvasp-25353",
"created_at": "2022-09-04T14:37:45.658791Z",
"updated_at": "2022-09-04T14:37:45.658813Z",
"structure_string": "Os1\n1.0\n2.372978 0.000000 1.370040\n0.790993 2.237265 1.370040\n0.000000 0.000000 2.740078\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n",
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"volume": 14.547021013454561,
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"formula_anonymous": "A",
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"spacegroup": 225
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{
"id": "jvasp-16089",
"created_at": "2022-09-04T14:36:19.772111Z",
"updated_at": "2022-09-04T14:36:19.772127Z",
"structure_string": "Os1\n1.0\n2.372978 0.000000 1.370040\n0.790993 2.237265 1.370040\n0.000000 0.000000 2.740078\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "jvasp-99143",
"created_at": "2022-09-04T14:36:18.837899Z",
"updated_at": "2022-09-04T14:36:18.837919Z",
"structure_string": "K12 Sb4 Te12\n1.0\n10.322702 -0.000000 0.000000\n0.000000 10.322702 -0.000000\n-0.000000 0.000000 10.322702\nK Sb Te\n12 4 12\ndirect\n0.576367 0.576367 0.576367 K\n0.923632 0.423632 0.076367 K\n0.076367 0.923632 0.423632 K\n0.423632 0.076367 0.923632 K\n0.327109 0.327109 0.327109 K\n0.172891 0.672891 0.827109 K\n0.827109 0.172891 0.672891 K\n0.672891 0.827109 0.172891 K\n0.817538 0.817538 0.817538 K\n0.682462 0.182462 0.317538 K\n0.317538 0.682462 0.182462 K\n0.182462 0.317538 0.682462 K\n0.966681 0.533319 0.466681 Sb\n0.533319 0.466681 0.966681 Sb\n0.466681 0.966681 0.533319 Sb\n0.033319 0.033319 0.033319 Sb\n0.227401 0.615540 0.501102 Te\n0.501102 0.227401 0.615540 Te\n0.615540 0.501102 0.227401 Te\n0.884459 0.498897 0.727401 Te\n0.001103 0.272599 0.384459 Te\n0.384459 0.001103 0.272599 Te\n-0.001103 0.772599 0.115540 Te\n0.498897 0.727401 0.884459 Te\n0.115540 -0.001103 0.772599 Te\n0.727401 0.884459 0.498897 Te\n0.772599 0.115540 -0.001103 Te\n0.272599 0.384459 0.001103 Te\n",
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{
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"created_at": "2022-09-04T14:36:04.329067Z",
"updated_at": "2022-09-04T14:36:04.329098Z",
"structure_string": "Mg6 Sn2\n1.0\n4.486622 -0.000000 0.000000\n0.000000 4.486622 0.000000\n0.000000 0.000000 9.071785\nMg Sn\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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{
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"created_at": "2022-09-04T14:36:33.838589Z",
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"structure_string": "Ba3 Sn1 O1\n1.0\n5.483190 0.000000 -0.000000\n0.000000 5.483190 -0.000000\n0.000000 0.000000 5.483190\nBa Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
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{
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