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{
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{
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"formula_full": "Sn1 Te2 Pd6",
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{
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"created_at": "2022-09-04T14:36:46.206558Z",
"updated_at": "2022-09-04T14:36:46.206577Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.479903 0.000000 -0.000000\n0.000000 4.479903 0.000000\n0.000000 -0.000000 6.305529\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
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"density_atomic": 0.03160830756682923,
"volume": 126.54900903956425,
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"formula_full": "Sn1 Te1 Pb1 Se1",
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{
"id": "jvasp-110170",
"created_at": "2022-09-04T14:38:18.429067Z",
"updated_at": "2022-09-04T14:38:18.429075Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.270351 -0.000274 6.438548\n1.940903 3.803787 6.438548\n-0.000447 -0.000274 7.725982\nSn Te Pb Se\n1 1 1 1\ndirect\n0.495157 0.495159 0.495158 Sn\n0.247010 0.247011 0.247011 Te\n0.006194 0.006194 0.006194 Pb\n0.751635 0.751639 0.751637 Se\n",
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{
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"created_at": "2022-09-04T14:38:48.776494Z",
"updated_at": "2022-09-04T14:38:48.776514Z",
"structure_string": "Sn1 Te1 Pb4 S4\n1.0\n4.287780 0.014184 17.171311\n2.123450 3.725080 17.171311\n0.024319 0.014184 17.698542\nSn Te Pb S\n1 1 4 4\ndirect\n0.594411 0.594409 0.594411 Sn\n0.298321 0.298320 0.298321 Te\n0.004546 0.004546 0.004546 Pb\n0.402434 0.402432 0.402433 Pb\n0.800438 0.800435 0.800437 Pb\n0.198373 0.198372 0.198373 Pb\n0.703195 0.703193 0.703194 S\n0.101288 0.101288 0.101288 S\n0.499406 0.499405 0.499406 S\n0.897591 0.897588 0.897590 S\n",
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{
"id": "jvasp-115340",
"created_at": "2022-09-04T14:38:46.480216Z",
"updated_at": "2022-09-04T14:38:46.480246Z",
"structure_string": "Sn1 Te1 O1\n1.0\n3.414970 -0.610421 0.000000\n-2.097894 6.891745 0.000000\n0.000000 0.000000 3.066868\nSn Te O\n1 1 1\ndirect\n-0.050883 0.249393 0.000000 Sn\n0.802881 0.711024 0.000000 Te\n0.248003 0.039585 0.000000 O\n",
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{
"id": "jvasp-115339",
"created_at": "2022-09-04T14:38:46.179678Z",
"updated_at": "2022-09-04T14:38:46.179718Z",
"structure_string": "Sn1 Te1 O1\n1.0\n3.197294 0.000000 -0.000000\n-0.000000 3.197294 -0.000000\n-0.000000 -0.000000 7.363972\nSn Te O\n1 1 1\ndirect\n0.000000 0.000000 0.271518 Sn\n0.000000 0.000000 0.729612 Te\n0.000000 -0.000000 -0.008298 O\n",
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},
{
"id": "jvasp-21766",
"created_at": "2022-09-04T14:37:51.318217Z",
"updated_at": "2022-09-04T14:37:51.318249Z",
"structure_string": "Sn4 Te12 O32\n1.0\n9.125615 -0.000000 -3.226392\n-4.562807 7.903014 -3.226392\n-0.000000 -0.000000 9.679176\nSn Te O\n4 12 32\ndirect\n0.499999 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.962951 0.712951 0.250000 Te\n0.749999 0.537048 0.787049 Te\n0.750000 0.037049 0.287049 Te\n0.249999 0.962951 0.712952 Te\n0.462951 0.212951 0.250000 Te\n0.287048 0.750000 0.037048 Te\n0.037048 0.287048 0.750000 Te\n0.250000 0.462951 0.212951 Te\n0.712951 0.250000 0.962952 Te\n0.537048 0.787048 0.750000 Te\n0.212951 0.250000 0.462952 Te\n0.787048 0.750000 0.537049 Te\n0.823147 0.564270 0.529165 O\n0.464893 0.706016 0.029164 O\n0.793983 0.258877 0.323148 O\n0.035106 0.064271 0.241123 O\n0.470835 0.176852 0.435729 O\n0.970835 0.535106 0.293984 O\n0.741122 0.676852 0.206016 O\n0.758876 0.964893 0.935730 O\n0.836589 0.500000 -0.000000 O\n0.676851 0.206016 0.741123 O\n0.500000 0.000000 0.836590 O\n-0.000000 0.836589 0.500000 O\n0.663410 0.663410 0.663411 O\n0.163410 0.500000 -0.000000 O\n0.500000 0.000000 0.163411 O\n-0.000000 0.163411 0.500000 O\n0.336589 0.336589 0.336589 O\n0.029164 0.464894 0.706017 O\n0.258877 0.323148 0.793984 O\n0.293983 0.970835 0.535106 O\n0.241122 0.035106 0.064271 O\n0.435729 0.470835 0.176852 O\n0.706016 0.029165 0.464894 O\n0.323147 0.793983 0.258877 O\n0.064270 0.241122 0.035106 O\n0.529164 0.823148 0.564271 O\n0.964893 0.935729 0.758878 O\n0.206016 0.741122 0.676852 O\n0.535106 0.293983 0.970836 O\n0.935728 0.758877 0.964894 O\n0.176852 0.435729 0.470836 O\n0.564270 0.529164 0.823148 O\n",
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{
"id": "jvasp-37317",
"created_at": "2022-09-04T14:37:57.670895Z",
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"structure_string": "Sn1 Te3\n1.0\n0.000000 3.887450 3.887450\n3.887450 0.000000 3.887450\n3.887450 3.887450 0.000000\nSn Te\n1 3\ndirect\n0.750000 0.750000 0.750000 Sn\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.250000 0.250000 0.250000 Te\n",
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{
"id": "jvasp-111005",
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"structure_string": "Sn1 Te2 Pb1\n1.0\n4.391973 0.002587 6.625197\n1.998475 3.910951 6.625197\n0.004224 0.002587 7.948751\nSn Te Pb\n1 2 1\ndirect\n0.499998 0.500001 0.500001 Sn\n0.247680 0.247682 0.247682 Te\n0.752316 0.752320 0.752320 Te\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "Sn1 Te1\n1.0\n4.394320 -0.000000 2.537062\n1.464773 4.143005 2.537062\n-0.000000 -0.000000 5.074123\nSn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Te\n",
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{
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