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{
"id": "jvasp-100042",
"created_at": "2022-09-04T14:36:58.206371Z",
"updated_at": "2022-09-04T14:36:58.206396Z",
"structure_string": "Al1 In1 Ag2 Se4\n1.0\n5.511212 -0.007450 -4.615505\n-1.206030 5.377639 -4.615505\n0.005972 0.007450 7.188623\nAl In Ag Se\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000001 Ag\n0.601834 0.636706 0.503163 Se\n0.133543 0.098671 0.496838 Se\n0.901329 0.398166 0.034873 Se\n0.363294 0.866457 0.965128 Se\n",
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{
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"structure_string": "Y12 Ir4\n1.0\n6.386972 -0.000000 0.000000\n0.000000 7.216002 0.000000\n-0.000000 -0.000000 9.259379\nY Ir\n12 4\ndirect\n0.630962 0.033936 0.250000 Y\n0.369038 0.966064 0.750000 Y\n0.130962 0.466064 0.750000 Y\n0.869038 0.533936 0.250000 Y\n0.173434 0.176838 0.062283 Y\n0.826565 0.823162 0.937717 Y\n0.673434 0.323162 0.937717 Y\n0.826565 0.823162 0.562283 Y\n0.326566 0.676837 0.062283 Y\n0.173434 0.176838 0.437717 Y\n0.326566 0.676837 0.437717 Y\n0.673434 0.323162 0.562283 Y\n0.454670 0.383690 0.250000 Ir\n0.545329 0.616310 0.750000 Ir\n0.954670 0.116310 0.750000 Ir\n0.045330 0.883690 0.250000 Ir\n",
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"formula_full": "Y12 Ir4",
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{
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"created_at": "2022-09-04T14:36:47.971539Z",
"updated_at": "2022-09-04T14:36:47.971549Z",
"structure_string": "Er6 Fe1 Bi2\n1.0\n8.217612 -0.000000 0.000000\n-4.108806 7.116661 0.000000\n-0.000000 -0.000000 4.104744\nEr Fe Bi\n6 1 2\ndirect\n0.229433 0.000000 0.500000 Er\n-0.000000 0.229433 0.500000 Er\n0.770566 0.770567 0.500000 Er\n0.612562 0.000000 -0.000000 Er\n-0.000000 0.612563 -0.000000 Er\n0.387437 0.387437 -0.000000 Er\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.500000 Bi\n0.666666 0.333333 0.500000 Bi\n",
"nsites": 9,
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"formula_full": "Er6 Fe1 Bi2",
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"spacegroup": 189
},
{
"id": "jvasp-103709",
"created_at": "2022-09-04T14:36:55.273942Z",
"updated_at": "2022-09-04T14:36:55.273966Z",
"structure_string": "La2 Fe1 Sn4\n1.0\n8.931100 -0.002583 0.000000\n-7.705308 4.515836 0.000000\n-0.000000 -0.000000 4.631785\nLa Fe Sn\n2 1 4\ndirect\n0.397129 0.602873 0.500001 La\n0.603203 0.396798 -0.000000 La\n0.197103 0.802898 0.500001 Fe\n0.757205 0.242796 0.500001 Sn\n0.255673 0.744328 -0.000000 Sn\n0.050339 0.949662 0.500001 Sn\n0.936052 0.063950 -0.000000 Sn\n",
"nsites": 7,
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{
"id": "jvasp-99730",
"created_at": "2022-09-04T14:36:32.484226Z",
"updated_at": "2022-09-04T14:36:32.484242Z",
"structure_string": "Rb2 Li1 Tm1 Cl6\n1.0\n6.257527 0.000000 3.612785\n2.085842 5.899653 3.612785\n-0.000000 0.000000 7.225571\nRb Li Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Tm\n0.747461 0.252539 0.252540 Cl\n0.252540 0.252539 0.747461 Cl\n0.252540 0.747460 0.747461 Cl\n0.252540 0.747460 0.252540 Cl\n0.747461 0.252539 0.747461 Cl\n0.747461 0.747460 0.252541 Cl\n",
"nsites": 10,
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{
"id": "jvasp-13928",
"created_at": "2022-09-04T14:37:50.595257Z",
"updated_at": "2022-09-04T14:37:50.595284Z",
"structure_string": "Pd2 Se4 Cl12\n1.0\n6.995268 -0.005695 -1.119019\n-0.600031 7.381872 -3.788509\n-0.027647 0.066875 9.268208\nPd Se Cl\n2 4 12\ndirect\n0.250000 0.174135 0.000000 Pd\n0.750000 0.825865 -0.000000 Pd\n0.447492 0.070036 0.787885 Se\n0.052508 0.282151 0.212115 Se\n0.552508 0.929964 0.212115 Se\n0.947492 0.717849 0.787885 Se\n0.245500 0.370956 0.448637 Cl\n0.254500 0.922319 0.551363 Cl\n0.053897 0.911601 0.164575 Cl\n0.985276 0.451056 0.784967 Cl\n0.553898 0.252974 0.164575 Cl\n0.745500 0.077681 0.448637 Cl\n0.754500 0.629044 0.551363 Cl\n0.485276 0.333911 0.784967 Cl\n0.014724 0.548944 0.215033 Cl\n0.514724 0.666089 0.215033 Cl\n0.946102 0.088399 0.835425 Cl\n0.446102 0.747026 0.835425 Cl\n",
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"volume": 480.1498833815594,
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"formula_full": "Pd2 Se4 Cl12",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-23021",
"created_at": "2022-09-04T14:37:41.717795Z",
"updated_at": "2022-09-04T14:37:41.717815Z",
"structure_string": "K12 P4 S16\n1.0\n8.980977 0.000000 0.000000\n-0.000000 9.078173 0.000000\n0.000000 0.000000 10.470199\nK P S\n12 4 16\ndirect\n0.646300 0.414446 0.250000 K\n0.853701 0.914446 0.750000 K\n0.146299 0.085554 0.250000 K\n0.353701 0.585554 0.750000 K\n0.450671 0.797482 0.042542 K\n0.049329 0.297482 0.957458 K\n0.950671 0.702518 0.457458 K\n0.549329 0.202518 0.542542 K\n0.549329 0.202518 0.957458 K\n0.950671 0.702518 0.042542 K\n0.049329 0.297482 0.542542 K\n0.450671 0.797482 0.457458 K\n0.220754 0.520297 0.250000 P\n0.279246 0.020297 0.750000 P\n0.720754 0.979702 0.250000 P\n0.779247 0.479702 0.750000 P\n0.333181 0.458922 0.086994 S\n0.166820 0.958922 0.913006 S\n0.166820 0.958922 0.586994 S\n0.333181 0.458922 0.413006 S\n0.666820 0.541078 0.913006 S\n0.833181 0.041078 0.086994 S\n0.487777 0.921172 0.750000 S\n0.012224 0.421172 0.250000 S\n0.512224 0.078828 0.250000 S\n0.302289 0.246155 0.750000 S\n0.197711 0.746155 0.250000 S\n0.802289 0.253845 0.750000 S\n0.697711 0.753845 0.250000 S\n0.666820 0.541078 0.586994 S\n0.987777 0.578827 0.750000 S\n0.833181 0.041078 0.413006 S\n",
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{
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"created_at": "2022-09-04T14:37:38.804707Z",
"updated_at": "2022-09-04T14:37:38.804731Z",
"structure_string": "Sm20 Ga12\n1.0\n7.723154 -0.000000 0.000000\n-0.000000 7.723154 0.000000\n-0.000000 0.000000 14.312030\nSm Ga\n20 12\ndirect\n0.844597 0.814890 0.897584 Sm\n0.844597 0.185109 0.397584 Sm\n0.314891 0.344597 0.397584 Sm\n0.685109 0.655402 0.397584 Sm\n0.344597 0.314891 0.102416 Sm\n0.155403 0.814890 0.397584 Sm\n0.185109 0.844597 0.102416 Sm\n0.814890 0.155403 0.102416 Sm\n0.655402 0.314891 0.602416 Sm\n0.185109 0.155403 0.602416 Sm\n0.655402 0.685109 0.102416 Sm\n0.155403 0.185109 0.897584 Sm\n0.000000 0.500000 0.720017 Sm\n0.500000 0.000000 0.779983 Sm\n0.500000 0.000000 0.279983 Sm\n0.000000 0.500000 0.220017 Sm\n0.685109 0.344597 0.897584 Sm\n0.314891 0.655402 0.897584 Sm\n0.344597 0.685109 0.602416 Sm\n0.814890 0.844597 0.602416 Sm\n0.000000 0.500000 0.505798 Ga\n0.500000 0.000000 0.994202 Ga\n0.878464 0.878464 0.250000 Ga\n0.621535 0.378464 0.250000 Ga\n0.378464 0.621535 0.250000 Ga\n0.121535 0.878464 0.750000 Ga\n0.621535 0.621535 0.750000 Ga\n0.878464 0.121535 0.750000 Ga\n0.378464 0.378464 0.750000 Ga\n0.000000 0.500000 0.005798 Ga\n0.121535 0.121535 0.250000 Ga\n0.500000 0.000000 0.494202 Ga\n",
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{
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"structure_string": "Ce2 Zn1 In1\n1.0\n4.610732 0.000000 2.662007\n1.536911 4.347039 2.662007\n0.000000 0.000000 5.324014\nCe Zn In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
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{
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"structure_string": "Na2 Bi2 Se4\n1.0\n8.385214 0.000000 0.000000\n8.385214 7.376580 0.082054\n4.192606 4.956355 3.505495\nNa Bi Se\n2 2 4\ndirect\n0.999983 0.000000 -0.000000 Na\n0.750015 0.500000 -0.000001 Na\n0.499998 0.000000 -0.000000 Bi\n0.250001 0.500000 -0.000001 Bi\n0.256212 0.000042 0.487474 Se\n0.006229 0.500042 0.487474 Se\n0.743771 -0.000042 0.512524 Se\n0.493788 0.499959 0.512524 Se\n",
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{
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"updated_at": "2022-09-04T14:37:51.986135Z",
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]
}