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{
"id": "jvasp-52161",
"created_at": "2022-09-04T14:37:27.511314Z",
"updated_at": "2022-09-04T14:37:27.511341Z",
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{
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"updated_at": "2022-09-04T14:37:02.620511Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.387317 0.000000 0.000000\n-1.693658 2.933508 -0.000239\n-0.000005 -0.003496 36.205557\nTe Mo W Se\n2 3 1 6\ndirect\n0.666760 0.333522 0.416283 Te\n0.666843 0.333681 0.520849 Te\n0.332982 0.665964 0.097248 Mo\n0.666631 0.333256 0.277526 Mo\n0.666917 0.333844 0.659576 Mo\n0.333469 0.666938 0.468567 W\n0.333351 0.666697 0.323217 Se\n0.333634 0.667279 0.705188 Se\n0.666268 0.332535 0.051633 Se\n0.666370 0.332734 0.142922 Se\n0.333239 0.666475 0.231862 Se\n0.333531 0.667074 0.613878 Se\n",
"nsites": 12,
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"volume": 359.76453448412644,
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{
"id": "jvasp-33896",
"created_at": "2022-09-04T14:37:19.499212Z",
"updated_at": "2022-09-04T14:37:19.499238Z",
"structure_string": "In1 Ge1 Cl3\n1.0\n-5.304965 0.132745 -0.351693\n0.084739 0.122466 -5.316395\n0.129013 -5.315684 0.152244\nIn Ge Cl\n1 1 3\ndirect\n0.933186 0.930843 0.055624 In\n0.492229 0.490184 0.495755 Ge\n0.028730 0.520987 0.464854 Cl\n0.523041 0.521161 0.958983 Cl\n0.522820 0.026829 0.464783 Cl\n",
"nsites": 5,
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"elements": [
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{
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"created_at": "2022-09-04T14:38:36.675826Z",
"updated_at": "2022-09-04T14:38:36.675854Z",
"structure_string": "Rb4 Ga4 Cl16\n1.0\n7.028187 0.000000 0.000000\n-0.000000 9.261600 0.000000\n0.000000 0.000000 11.053057\nRb Ga Cl\n4 4 16\ndirect\n0.750000 0.819842 0.682749 Rb\n0.250000 0.180158 0.317251 Rb\n0.250000 0.319842 0.817251 Rb\n0.750000 0.680158 0.182749 Rb\n0.250000 0.810475 0.931827 Ga\n0.750000 0.189525 0.068174 Ga\n0.750000 0.310475 0.568174 Ga\n0.250000 0.689525 0.431826 Ga\n-0.001786 0.830740 0.422941 Cl\n0.498214 0.169260 0.577059 Cl\n-0.001786 0.669260 0.922941 Cl\n0.498214 0.330740 0.077059 Cl\n0.001786 0.169260 0.577059 Cl\n0.501786 0.830740 0.422941 Cl\n0.250000 0.550974 0.270769 Cl\n0.250000 0.568315 0.602325 Cl\n0.750000 0.050974 0.229231 Cl\n0.250000 0.949026 0.770769 Cl\n0.501786 0.669260 0.922941 Cl\n0.750000 0.431685 0.397675 Cl\n0.750000 0.068315 0.897675 Cl\n0.250000 0.931685 0.102325 Cl\n0.750000 0.449026 0.729231 Cl\n0.001786 0.330740 0.077059 Cl\n",
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{
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"created_at": "2022-09-04T14:37:56.802046Z",
"updated_at": "2022-09-04T14:37:56.802071Z",
"structure_string": "Rb2 Ca2 Cl6\n1.0\n6.491024 -0.053030 3.627302\n2.103767 6.140876 3.627302\n-0.074868 -0.053030 7.435395\nRb Ca Cl\n2 2 6\ndirect\n0.255764 0.255764 0.255764 Rb\n0.755764 0.755765 0.755763 Rb\n0.005706 0.005706 0.005706 Ca\n0.505706 0.505707 0.505706 Ca\n0.255639 0.821522 0.689867 Cl\n0.821521 0.689868 0.255639 Cl\n0.689867 0.255640 0.821521 Cl\n0.189867 0.321522 0.755639 Cl\n0.755639 0.189868 0.321522 Cl\n0.321522 0.755640 0.189867 Cl\n",
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"density": 2.569519630290062,
"density_atomic": 0.0333628473937094,
"volume": 299.73460844009105,
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"formula_full": "Rb2 Ca2 Cl6",
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"spacegroup": 167
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{
"id": "jvasp-109349",
"created_at": "2022-09-04T14:38:27.533725Z",
"updated_at": "2022-09-04T14:38:27.533746Z",
"structure_string": "Y2 Te1 S2\n1.0\n4.979562 -0.003210 -5.609635\n-0.476250 3.987576 -6.335336\n0.036847 0.003210 7.500846\nY Te S\n2 1 2\ndirect\n0.832661 0.332661 0.500000 Y\n0.167340 0.667340 0.500001 Y\n0.000000 0.000000 0.000000 Te\n0.700551 0.700552 -0.000000 S\n0.299449 0.299449 -0.000000 S\n",
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"elements": [
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"formula_full": "Y2 Te1 S2",
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},
{
"id": "jvasp-56990",
"created_at": "2022-09-04T14:37:01.811661Z",
"updated_at": "2022-09-04T14:37:01.811685Z",
"structure_string": "Lu1 Bi1\n1.0\n3.804347 -0.000000 2.196442\n1.268115 3.586773 2.196442\n-0.000000 -0.000000 4.392881\nLu Bi\n1 1\ndirect\n0.500001 0.500000 0.499999 Lu\n0.000000 0.000000 0.000000 Bi\n",
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"elements": [
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{
"id": "jvasp-121257",
"created_at": "2022-09-04T14:38:55.239206Z",
"updated_at": "2022-09-04T14:38:55.239233Z",
"structure_string": "Na3 P1\n1.0\n4.764663 1.307444 -0.952953\n1.459316 -5.264035 -0.351866\n1.501745 0.720601 -4.738854\nNa P\n3 1\ndirect\n0.051885 -0.063239 0.112284 Na\n0.386074 0.370540 0.445274 Na\n0.720377 0.804296 0.778280 Na\n0.386173 0.870547 0.445265 P\n",
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{
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"structure_string": "Sr1 In4\n1.0\n4.637452 -0.000000 -1.737231\n-0.650783 4.591561 -1.737231\n-0.006213 -0.007156 7.041751\nSr In\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.249999 0.500000 In\n0.250001 0.749999 0.500000 In\n0.385566 0.385565 0.771131 In\n0.614435 0.614434 0.228869 In\n",
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{
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"created_at": "2022-09-04T14:38:27.830672Z",
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"structure_string": "K3 Mo1 Cl6\n1.0\n6.504731 -0.000000 3.755508\n2.168244 6.132719 3.755508\n-0.000000 -0.000000 7.511016\nK Mo Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Mo\n0.770506 0.229493 0.229494 Cl\n0.229493 0.229493 0.770507 Cl\n0.229493 0.770507 0.770508 Cl\n0.229493 0.770507 0.229494 Cl\n0.770506 0.229493 0.770507 Cl\n0.770506 0.770507 0.229494 Cl\n",
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{
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"created_at": "2022-09-04T14:35:46.649448Z",
"updated_at": "2022-09-04T14:35:46.649463Z",
"structure_string": "Ti1 Be1 Te4\n1.0\n-0.000000 4.479430 4.479430\n4.479430 -0.000000 4.479430\n4.479430 4.479430 -0.000000\nTi Be Te\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n0.125520 0.624826 0.624826 Te\n0.624826 0.624826 0.624826 Te\n0.624826 0.125520 0.624826 Te\n0.624826 0.624826 0.125520 Te\n",
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