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{
"id": "jvasp-12868",
"created_at": "2022-09-04T14:38:30.839577Z",
"updated_at": "2022-09-04T14:38:30.839601Z",
"structure_string": "Tl12 Ag4 Te8\n1.0\n7.611935 0.000000 0.000000\n0.000000 8.889505 -4.441374\n0.000000 0.072065 11.190665\nTl Ag Te\n12 4 8\ndirect\n0.289781 0.332844 0.413751 Tl\n0.492329 0.963651 0.235283 Tl\n0.489848 0.512915 0.209253 Tl\n0.510153 0.487084 0.790748 Tl\n0.007671 0.463651 0.235283 Tl\n0.989848 0.987084 0.790748 Tl\n0.789781 0.167155 0.586249 Tl\n0.710220 0.667155 0.586249 Tl\n0.992330 0.536348 0.764717 Tl\n0.010152 0.012915 0.209253 Tl\n0.210220 0.832844 0.413752 Tl\n0.507671 0.036348 0.764717 Tl\n0.669419 0.175692 0.093658 Ag\n0.330582 0.824307 0.906343 Ag\n0.830582 0.675691 0.093658 Ag\n0.169419 0.324308 0.906343 Ag\n0.274744 0.147425 0.040115 Te\n0.229023 0.190394 0.626003 Te\n0.770977 0.809605 0.373997 Te\n0.270977 0.690394 0.626004 Te\n0.729024 0.309605 0.373997 Te\n0.225256 0.647424 0.040115 Te\n0.725256 0.852574 0.959885 Te\n0.774745 0.352575 0.959885 Te\n",
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{
"id": "jvasp-110704",
"created_at": "2022-09-04T14:38:37.418580Z",
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"structure_string": "Rb2 Ag1 Bi1 I6\n1.0\n7.381539 -0.000000 4.261733\n2.460513 6.959381 4.261733\n-0.000000 -0.000000 8.523467\nRb Ag Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.745277 0.254723 0.254722 I\n0.254723 0.254723 0.745277 I\n0.254723 0.745277 0.745277 I\n0.254723 0.745277 0.254723 I\n0.745277 0.254723 0.745277 I\n0.745277 0.745277 0.254722 I\n",
"nsites": 10,
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"formula_full": "Rb2 Ag1 Bi1 I6",
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{
"id": "jvasp-9128",
"created_at": "2022-09-04T14:38:34.363031Z",
"updated_at": "2022-09-04T14:38:34.363055Z",
"structure_string": "Sr8 Ge4\n1.0\n5.154141 -0.000000 0.000000\n-0.000000 8.083525 0.000000\n0.000000 0.000000 9.573572\nSr Ge\n8 4\ndirect\n0.750000 0.348176 0.078805 Sr\n0.250000 0.651824 0.921195 Sr\n0.750000 0.848175 0.421195 Sr\n0.250000 0.151824 0.578805 Sr\n0.250000 0.018379 0.175294 Sr\n0.750000 0.981620 0.824706 Sr\n0.250000 0.518379 0.324706 Sr\n0.750000 0.481620 0.675294 Sr\n0.250000 0.752237 0.601309 Ge\n0.750000 0.247762 0.398691 Ge\n0.250000 0.252237 0.898691 Ge\n0.750000 0.747762 0.101309 Ge\n",
"nsites": 12,
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"elements": [
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"density": 4.127807990613158,
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"volume": 398.869738868513,
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"formula_full": "Sr8 Ge4",
"formula_reduced": "Sr2Ge",
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"spacegroup": 62
},
{
"id": "jvasp-33867",
"created_at": "2022-09-04T14:38:34.400234Z",
"updated_at": "2022-09-04T14:38:34.400269Z",
"structure_string": "Ho2 Br6\n1.0\n9.574858 -0.000000 -0.000000\n-4.787428 8.292070 0.000000\n0.000000 0.000000 3.720998\nHo Br\n2 6\ndirect\n0.333334 0.666667 0.750000 Ho\n0.666667 0.333334 0.250001 Ho\n0.206773 0.413546 0.250001 Br\n0.586454 0.793227 0.250001 Br\n0.206774 0.793227 0.250001 Br\n0.793226 0.586454 0.750000 Br\n0.413547 0.206775 0.750000 Br\n0.793227 0.206775 0.750000 Br\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.548787584778649,
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"volume": 295.43009772893373,
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"spacegroup": 194
},
{
"id": "jvasp-36935",
"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
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"Cl"
],
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"density": 2.0219243379887533,
"density_atomic": 0.03281400621241877,
"volume": 304.74791573042995,
"volume_molar": 18.352348448452677,
"formula_full": "K2 Ca2 Cl6",
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{
"id": "jvasp-17302",
"created_at": "2022-09-04T14:38:32.350278Z",
"updated_at": "2022-09-04T14:38:32.350305Z",
"structure_string": "Zn1 Rh1 F6\n1.0\n4.431472 0.021526 3.124401\n1.631569 4.120241 3.124400\n0.031512 0.021527 5.422069\nZn Rh F\n1 1 6\ndirect\n0.499999 0.500001 0.500000 Zn\n0.000000 0.000000 0.000000 Rh\n0.396012 0.088555 0.759939 F\n0.088554 0.759939 0.396012 F\n0.240060 0.603988 0.911446 F\n0.911445 0.240062 0.603987 F\n0.603987 0.911446 0.240060 F\n0.759939 0.396013 0.088554 F\n",
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"formula_full": "Zn1 Rh1 F6",
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"spacegroup": 148
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{
"id": "jvasp-24426",
"created_at": "2022-09-04T14:38:31.850565Z",
"updated_at": "2022-09-04T14:38:31.850601Z",
"structure_string": "K2 Ho2 Be2 F12\n1.0\n0.000000 6.316964 -0.013548\n5.846745 0.000000 0.000000\n0.000000 -2.710090 -6.391269\nK Ho Be F\n2 2 2 12\ndirect\n0.569513 0.250000 0.207144 K\n0.430487 0.750001 0.792856 K\n0.885101 0.250000 0.821310 Ho\n0.114899 0.750001 0.178691 Ho\n0.264421 0.250000 0.534379 Be\n0.735579 0.750001 0.465622 Be\n0.273093 0.035694 0.401776 F\n0.726906 0.964307 0.598225 F\n0.957615 0.750001 0.422266 F\n0.820631 0.998129 0.040933 F\n0.179368 0.001872 0.959068 F\n0.273093 0.464307 0.401776 F\n0.820631 0.501872 0.040933 F\n0.042385 0.250000 0.577734 F\n0.726906 0.535694 0.598225 F\n0.484246 0.250000 0.744623 F\n0.179368 0.498128 0.959068 F\n0.515754 0.750001 0.255378 F\n",
"nsites": 18,
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"density": 4.596887570429902,
"density_atomic": 0.0761847554600728,
"volume": 236.2677400655766,
"volume_molar": 7.904653265122189,
"formula_full": "K2 Ho2 Be2 F12",
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"spacegroup": 11
},
{
"id": "jvasp-58946",
"created_at": "2022-09-04T14:38:34.475738Z",
"updated_at": "2022-09-04T14:38:34.475748Z",
"structure_string": "Na6 Y2 Br12\n1.0\n0.000000 7.092632 -0.016140\n7.681112 0.000000 0.000000\n0.000000 -6.959507 -10.664495\nNa Y Br\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Na\n0.706042 0.595487 0.744009 Na\n0.293957 0.095487 0.755991 Na\n0.499999 0.000000 0.500000 Na\n0.706042 0.904513 0.244009 Na\n0.293957 0.404513 0.255991 Na\n-0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.092276 0.442235 0.741864 Br\n0.907722 0.942235 0.758136 Br\n0.907723 0.557765 0.258136 Br\n0.092277 0.057765 0.241864 Br\n0.757855 0.188400 0.422974 Br\n0.393155 0.178314 0.071236 Br\n0.242144 0.811600 0.577026 Br\n0.757854 0.311600 0.922973 Br\n0.606844 0.821686 0.928764 Br\n0.606845 0.678314 0.428764 Br\n0.242145 0.688400 0.077026 Br\n0.393154 0.321686 0.571236 Br\n",
"nsites": 20,
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],
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"volume": 581.8570226199552,
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"formula_full": "Na6 Y2 Br12",
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"spacegroup": 14
},
{
"id": "jvasp-11393",
"created_at": "2022-09-04T14:38:31.880254Z",
"updated_at": "2022-09-04T14:38:31.880279Z",
"structure_string": "K6 Au2 Se4\n1.0\n7.367167 0.020030 2.950928\n2.004017 7.089391 2.950928\n0.026403 0.020030 7.936147\nK Au Se\n6 2 4\ndirect\n0.958660 0.541340 0.250000 K\n0.250000 0.958659 0.541341 K\n0.541340 0.250000 0.958660 K\n0.041340 0.458659 0.750001 K\n0.750000 0.041340 0.458660 K\n0.458660 0.750000 0.041341 K\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.635149 0.635149 0.635150 Se\n0.864851 0.864851 0.864852 Se\n0.135149 0.135149 0.135149 Se\n0.364851 0.364851 0.364851 Se\n",
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},
{
"id": "jvasp-16801",
"created_at": "2022-09-04T14:38:31.799735Z",
"updated_at": "2022-09-04T14:38:31.799749Z",
"structure_string": "Cd3 In1\n1.0\n4.580242 0.000000 0.000000\n0.000000 4.580242 0.000000\n0.000000 -0.000000 4.580242\nCd In\n3 1\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
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},
{
"id": "jvasp-21714",
"created_at": "2022-09-04T14:38:34.531569Z",
"updated_at": "2022-09-04T14:38:34.531581Z",
"structure_string": "Sm2 Zn6 Ge3\n1.0\n3.821767 -6.619496 -0.000000\n3.821767 6.619496 0.000000\n-0.000000 -0.000000 4.060666\nSm Zn Ge\n2 6 3\ndirect\n0.666667 0.333333 0.000000 Sm\n0.333333 0.666667 0.000000 Sm\n0.000000 0.285087 0.500000 Zn\n0.285087 0.000000 0.500000 Zn\n0.000000 0.809895 0.000000 Zn\n0.190106 0.190106 0.000000 Zn\n0.714914 0.714914 0.500000 Zn\n0.809895 0.000000 0.000000 Zn\n0.000000 0.612347 0.500000 Ge\n0.387653 0.387653 0.500000 Ge\n0.612347 0.000000 0.500000 Ge\n",
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{
"id": "jvasp-12363",
"created_at": "2022-09-04T14:38:34.515655Z",
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"structure_string": "Sr4 Ca4 Pb4\n1.0\n5.191215 -0.000000 0.000000\n0.000000 8.433141 0.000000\n0.000000 0.000000 9.623409\nSr Ca Pb\n4 4 4\ndirect\n0.750001 0.979378 0.683178 Sr\n0.250000 0.020622 0.316823 Sr\n0.750001 0.479378 0.816823 Sr\n0.250000 0.520622 0.183178 Sr\n0.750001 0.850118 0.071641 Ca\n0.250000 0.149881 0.928359 Ca\n0.750001 0.350119 0.428359 Ca\n0.250000 0.649881 0.571641 Ca\n0.750001 0.736325 0.392109 Pb\n0.250000 0.263675 0.607891 Pb\n0.750001 0.236325 0.107891 Pb\n0.250000 0.763675 0.892109 Pb\n",
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}
]
}