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{
"id": "jvasp-88587",
"created_at": "2022-09-04T14:36:21.887564Z",
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"structure_string": "Bi2 Xe2 F18\n1.0\n5.365810 0.042370 1.784514\n0.008627 7.644677 1.479228\n0.137175 -0.047857 8.552638\nBi Xe F\n2 2 18\ndirect\n0.207804 0.343730 0.743351 Bi\n0.792197 0.656270 0.256648 Bi\n0.301844 0.169799 0.214096 Xe\n0.698158 0.830200 0.785903 Xe\n0.942067 0.882713 0.268645 F\n0.971056 0.209365 0.390668 F\n0.142047 0.549456 0.174910 F\n0.875385 0.779982 0.985100 F\n0.266979 0.449697 0.498068 F\n0.662341 0.457861 0.181316 F\n0.462621 0.123203 0.392365 F\n0.456399 0.784024 0.287439 F\n0.543602 0.215976 0.712561 F\n0.337660 0.542139 0.818683 F\n0.028945 0.790635 0.609331 F\n0.124616 0.220018 0.014900 F\n0.733023 0.550303 0.501931 F\n0.537381 0.876797 0.607635 F\n0.638312 0.123265 0.045180 F\n0.857954 0.450544 0.825089 F\n0.057935 0.117287 0.731355 F\n0.361690 0.876735 0.954819 F\n",
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{
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"structure_string": "K2 Ti1 F6\n1.0\n2.857282 -4.948958 0.000000\n2.857282 4.948958 0.000000\n0.000000 0.000000 4.600268\nK Ti F\n2 1 6\ndirect\n0.333333 0.666667 0.701877 K\n0.666667 0.333333 0.298124 K\n0.000000 0.000000 0.000000 Ti\n0.317872 0.158936 0.771456 F\n0.841064 0.158935 0.771456 F\n0.841064 0.682127 0.771456 F\n0.158936 0.317872 0.228544 F\n0.682127 0.841064 0.228544 F\n0.158935 0.841064 0.228544 F\n",
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{
"id": "jvasp-99435",
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"updated_at": "2022-09-04T14:36:21.916017Z",
"structure_string": "Zn2 Cu1 Rh1\n1.0\n3.668456 -0.000000 2.117984\n1.222819 3.458654 2.117984\n-0.000000 -0.000000 4.235968\nZn Cu Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.749999 Zn\n0.500001 0.499999 0.499999 Cu\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-66688",
"created_at": "2022-09-04T14:36:13.595416Z",
"updated_at": "2022-09-04T14:36:13.595441Z",
"structure_string": "Ba1 In1 Hg1\n1.0\n-0.000000 3.937620 3.937620\n3.937620 0.000000 3.937620\n3.937620 3.937620 0.000000\nBa In Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-103589",
"created_at": "2022-09-04T14:36:35.360720Z",
"updated_at": "2022-09-04T14:36:35.360740Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n4.740985 -0.000000 2.737209\n1.580328 4.469844 2.737209\n-0.000000 -0.000000 5.474418\nCa Hg Bi\n2 1 1\ndirect\n0.750001 0.749999 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500000 0.500000 Bi\n",
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{
"id": "jvasp-92542",
"created_at": "2022-09-04T14:36:22.631637Z",
"updated_at": "2022-09-04T14:36:22.631665Z",
"structure_string": "Sr1 In2 Hg2\n1.0\n4.622022 -0.000000 0.000000\n-0.000000 4.622022 0.000000\n-2.311011 -2.311011 6.574973\nSr In Hg\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.607193 0.607193 0.214386 Hg\n0.392806 0.392806 0.785613 Hg\n",
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{
"id": "jvasp-65705",
"created_at": "2022-09-04T14:36:13.712589Z",
"updated_at": "2022-09-04T14:36:13.712610Z",
"structure_string": "Ba1 Y1 Hg2\n1.0\n4.227155 0.000000 0.000000\n0.000000 4.227155 0.000000\n-0.000000 0.000000 7.455483\nBa Y Hg\n1 1 2\ndirect\n0.500001 0.500001 0.795453 Ba\n0.000000 0.000000 0.407125 Y\n0.000000 0.000000 0.009122 Hg\n0.500001 0.500001 0.288300 Hg\n",
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"spacegroup": 99
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{
"id": "jvasp-54810",
"created_at": "2022-09-04T14:36:30.870549Z",
"updated_at": "2022-09-04T14:36:30.870575Z",
"structure_string": "Yb8 Au4\n1.0\n4.488142 0.000000 0.000000\n0.000000 7.609316 0.000000\n0.000000 0.000000 9.276369\nYb Au\n8 4\ndirect\n0.750000 0.645523 0.432064 Yb\n0.750000 0.524697 0.830455 Yb\n0.250000 0.854477 0.932064 Yb\n0.250000 0.975304 0.330455 Yb\n0.250000 0.475304 0.169545 Yb\n0.750000 0.145523 0.067936 Yb\n0.250000 0.354477 0.567936 Yb\n0.750000 0.024696 0.669545 Yb\n0.750000 0.751522 0.120672 Au\n0.750000 0.251522 0.379328 Au\n0.250000 0.248479 0.879328 Au\n0.250000 0.748479 0.620672 Au\n",
"nsites": 12,
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"volume": 316.80368519344836,
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"formula_full": "Yb8 Au4",
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},
{
"id": "jvasp-100077",
"created_at": "2022-09-04T14:36:35.758023Z",
"updated_at": "2022-09-04T14:36:35.758053Z",
"structure_string": "K3 Sb1 I6\n1.0\n7.655425 0.000000 4.419862\n2.551808 7.217603 4.419862\n-0.000000 -0.000000 8.839723\nK Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sb\n0.759845 0.240155 0.240155 I\n0.240155 0.240155 0.759845 I\n0.240155 0.759845 0.759845 I\n0.240155 0.759845 0.240155 I\n0.759845 0.240155 0.759845 I\n0.759845 0.759845 0.240155 I\n",
"nsites": 10,
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{
"id": "jvasp-98018",
"created_at": "2022-09-04T14:36:22.049994Z",
"updated_at": "2022-09-04T14:36:22.050016Z",
"structure_string": "Li8 Zn4 I16\n1.0\n7.017376 -0.000000 0.000000\n0.000000 8.521139 0.000000\n0.000000 0.000000 14.748634\nLi Zn I\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.997930 0.750000 0.736990 Li\n0.497930 0.250000 0.763010 Li\n0.002070 0.250000 0.263010 Li\n0.502071 0.750000 0.236990 Li\n0.903926 0.750000 0.414508 Zn\n0.403926 0.250000 0.085492 Zn\n0.096074 0.250000 0.585491 Zn\n0.596074 0.750000 0.914508 Zn\n0.746488 0.996133 0.332745 I\n0.246488 0.003867 0.167255 I\n0.746488 0.503867 0.332745 I\n0.246488 0.496133 0.167255 I\n0.253512 0.003867 0.667255 I\n0.753513 0.996133 0.832745 I\n0.752143 0.750000 0.078774 I\n0.723925 0.250000 0.588255 I\n0.247857 0.250000 0.921226 I\n0.747858 0.750000 0.578774 I\n0.276075 0.750000 0.411745 I\n0.776076 0.250000 0.088255 I\n0.753513 0.503867 0.832745 I\n0.223925 0.750000 0.911745 I\n0.252143 0.250000 0.421226 I\n0.253512 0.496133 0.667255 I\n",
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{
"id": "jvasp-66565",
"created_at": "2022-09-04T14:36:22.172984Z",
"updated_at": "2022-09-04T14:36:22.173007Z",
"structure_string": "Ba1 Na1 Cl1\n1.0\n0.000000 4.005112 4.005112\n4.005112 -0.000000 4.005112\n4.005112 4.005112 0.000000\nBa Na Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-1924",
"created_at": "2022-09-04T14:36:22.253174Z",
"updated_at": "2022-09-04T14:36:22.253191Z",
"structure_string": "In2 Br2\n1.0\n4.235648 0.000000 -1.572407\n0.000000 4.667289 0.000000\n0.046385 0.000000 6.616010\nIn Br\n2 2\ndirect\n0.607980 0.250000 0.215960 In\n0.392021 0.750000 0.784040 In\n0.852708 0.250000 0.705412 Br\n0.147294 0.750000 0.294588 Br\n",
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}