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{
"id": "jvasp-54849",
"created_at": "2022-09-04T14:37:48.421569Z",
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{
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"structure_string": "Ho2 Te4\n1.0\n4.438798 0.000000 0.000000\n0.000000 4.438798 0.000000\n0.000000 -0.000000 8.816307\nHo Te\n2 4\ndirect\n0.500000 0.000000 0.728950 Ho\n0.000000 0.500000 0.271051 Ho\n0.500000 0.000000 0.371513 Te\n0.000000 0.500000 0.628487 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"structure_string": "Ba1 Ti1 Se2\n1.0\n3.931324 0.000000 0.000000\n0.000000 3.931325 0.000000\n0.000000 0.000000 7.491957\nBa Ti Se\n1 1 2\ndirect\n0.500000 0.499999 0.194595 Ba\n0.000000 0.000000 0.671070 Ti\n0.000000 0.000000 0.007296 Se\n0.500000 0.499999 0.627039 Se\n",
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{
"id": "jvasp-109544",
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"updated_at": "2022-09-04T14:38:19.525044Z",
"structure_string": "In3 Pb1\n1.0\n4.737832 -0.000000 2.735389\n1.579277 4.466871 2.735389\n-0.000000 -0.000000 5.470777\nIn Pb\n3 1\ndirect\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750001 In\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"density_atomic": 0.03454839779438906,
"volume": 115.77960934123642,
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{
"id": "jvasp-32341",
"created_at": "2022-09-04T14:38:00.262996Z",
"updated_at": "2022-09-04T14:38:00.263016Z",
"structure_string": "Se8 Cl8\n1.0\n4.761862 0.084093 0.000000\n-0.743733 7.109911 0.000000\n0.000000 0.000000 13.653589\nSe Cl\n8 8\ndirect\n0.092674 0.392603 0.140625 Se\n0.407327 0.607397 0.640625 Se\n0.907327 0.607397 0.859375 Se\n0.592673 0.392603 0.359375 Se\n0.813757 0.204089 0.042919 Se\n0.686243 0.795911 0.542919 Se\n0.186244 0.795911 0.957081 Se\n0.313757 0.204089 0.457081 Se\n0.872968 0.666057 0.146766 Cl\n0.627032 0.333943 0.646766 Cl\n0.127033 0.333943 0.853234 Cl\n0.372968 0.666057 0.353234 Cl\n0.492884 0.050117 0.147562 Cl\n0.007116 0.949883 0.647562 Cl\n0.507116 0.949883 0.852438 Cl\n0.992884 0.050116 0.352438 Cl\n",
"nsites": 16,
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"elements": [
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"volume": 463.11550847398325,
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"formula_full": "Se8 Cl8",
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{
"id": "jvasp-12097",
"created_at": "2022-09-04T14:37:04.301275Z",
"updated_at": "2022-09-04T14:37:04.301302Z",
"structure_string": "Ce2 Si2 I2\n1.0\n4.158092 0.000000 -0.000000\n-2.079046 3.601014 0.000000\n-0.000000 -0.000000 11.597945\nCe Si I\n2 2 2\ndirect\n0.000000 0.000000 0.833264 Ce\n0.000000 0.000000 0.166736 Ce\n0.333332 0.666666 0.995661 Si\n0.666666 0.333333 0.004338 Si\n0.333332 0.666666 0.352509 I\n0.666666 0.333333 0.647491 I\n",
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{
"id": "jvasp-101415",
"created_at": "2022-09-04T14:36:52.451371Z",
"updated_at": "2022-09-04T14:36:52.451397Z",
"structure_string": "Tb3 Sc1\n1.0\n4.873749 -0.000000 0.000000\n0.000000 4.873749 0.000000\n0.000000 0.000000 4.873749\nTb Sc\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Sc\n",
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{
"id": "jvasp-37404",
"created_at": "2022-09-04T14:38:01.992830Z",
"updated_at": "2022-09-04T14:38:01.992867Z",
"structure_string": "Tl3 Cd1\n1.0\n4.873742 0.000000 0.000000\n0.000000 4.873742 0.000000\n0.000000 0.000000 4.873742\nTl Cd\n3 1\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cd\n",
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},
{
"id": "jvasp-88797",
"created_at": "2022-09-04T14:35:56.037196Z",
"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
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{
"id": "jvasp-100228",
"created_at": "2022-09-04T14:36:33.561537Z",
"updated_at": "2022-09-04T14:36:33.561560Z",
"structure_string": "Th6 Ta2\n1.0\n6.791296 0.000000 -0.000000\n-3.395648 5.881434 -0.000000\n0.000000 -0.000000 5.796334\nTh Ta\n6 2\ndirect\n0.174853 0.349706 0.250000 Th\n0.650294 0.825146 0.250000 Th\n0.174853 0.825146 0.250000 Th\n0.825147 0.650293 0.750000 Th\n0.349706 0.174853 0.750000 Th\n0.825147 0.174853 0.750000 Th\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n",
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{
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"created_at": "2022-09-04T14:35:55.902593Z",
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"structure_string": "Sm4 Sb8\n1.0\n4.377712 -0.005847 0.000000\n-0.091801 4.376753 -0.000000\n-0.000000 0.000000 18.125213\nSm Sb\n4 8\ndirect\n0.643823 0.643823 0.610473 Sm\n0.856177 0.856175 0.110473 Sm\n0.143823 0.143823 0.889526 Sm\n0.356177 0.356176 0.389527 Sm\n0.873179 0.373179 0.250000 Sb\n0.626820 0.126820 0.750000 Sb\n0.126821 0.626820 0.750000 Sb\n0.373180 0.873179 0.250000 Sb\n0.860204 0.860203 0.436059 Sb\n0.639795 0.639795 0.936059 Sb\n0.360204 0.360204 0.063941 Sb\n0.139795 0.139795 0.563941 Sb\n",
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{
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"created_at": "2022-09-04T14:37:15.131063Z",
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}