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{
"id": "jvasp-36509",
"created_at": "2022-09-04T14:37:31.729169Z",
"updated_at": "2022-09-04T14:37:31.729195Z",
"structure_string": "Cd10 S8 Cl4\n1.0\n6.631685 -0.000180 -0.000039\n-3.315465 -9.523384 0.127907\n-3.315603 1.052777 -9.466112\nCd S Cl\n10 8 4\ndirect\n0.000207 0.750061 0.249945 Cd\n0.999793 0.249938 0.750055 Cd\n0.304715 0.055088 0.554504 Cd\n0.695178 0.445185 0.945237 Cd\n0.695285 0.944911 0.445496 Cd\n0.304822 0.554814 0.054762 Cd\n0.404564 0.601187 0.601266 Cd\n0.595436 0.398812 0.398734 Cd\n0.202366 0.898697 0.898630 Cd\n0.797634 0.101303 0.101370 Cd\n0.049428 0.694765 0.017460 S\n0.950303 0.982355 0.305242 S\n0.336998 0.805243 0.482578 S\n0.662951 0.517634 0.194759 S\n0.337049 0.482365 0.805240 S\n0.049697 0.017644 0.694758 S\n0.663002 0.194756 0.517422 S\n0.950572 0.305234 0.982540 S\n0.806924 0.608771 0.608592 Cl\n0.589930 0.891284 0.891514 Cl\n0.410069 0.108715 0.108486 Cl\n0.193076 0.391228 0.391408 Cl\n",
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{
"id": "jvasp-106477",
"created_at": "2022-09-04T14:36:48.580018Z",
"updated_at": "2022-09-04T14:36:48.580041Z",
"structure_string": "P2 Br2\n1.0\n3.510838 -0.110963 -0.206340\n-1.655740 5.398192 -0.543824\n0.337748 -0.162799 5.781450\nP Br\n2 2\ndirect\n0.215515 0.431698 0.373149 P\n0.784486 0.568302 0.626852 P\n0.603264 0.214807 0.801470 Br\n0.396737 0.785193 0.198530 Br\n",
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"formula_full": "P2 Br2",
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},
{
"id": "jvasp-108853",
"created_at": "2022-09-04T14:38:20.321411Z",
"updated_at": "2022-09-04T14:38:20.321437Z",
"structure_string": "K2 Ag1 As1 Cl6\n1.0\n6.293391 -0.000000 3.633491\n2.097797 5.933466 3.633491\n-0.000000 -0.000000 7.266982\nK Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.756380 0.243620 0.243619 Cl\n0.243620 0.243620 0.756380 Cl\n0.243620 0.756381 0.756380 Cl\n0.243620 0.756381 0.243619 Cl\n0.756380 0.243620 0.756380 Cl\n0.756380 0.756381 0.243619 Cl\n",
"nsites": 10,
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"elements": [
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"As",
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],
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"density": 2.898739969449157,
"density_atomic": 0.03685129403208743,
"volume": 271.36089145995055,
"volume_molar": 16.34173485130904,
"formula_full": "K2 Ag1 As1 Cl6",
"formula_reduced": "K2AgAsCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-76775",
"created_at": "2022-09-04T14:37:10.887099Z",
"updated_at": "2022-09-04T14:37:10.887118Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-10.535795 0.000000 -6.082844\n-6.886098 0.378904 -0.238618\n-5.985915 2.925006 -1.797780\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000001 -0.000000 Mg\n0.739120 0.000002 -0.000000 Cd\n0.260880 0.000001 -0.000000 Cd\n",
"nsites": 4,
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"density_atomic": 0.03685047675478834,
"volume": 108.54676390259294,
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"formula_full": "Na1 Mg1 Cd2",
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"spacegroup": 71
},
{
"id": "jvasp-41008",
"created_at": "2022-09-04T14:37:38.915025Z",
"updated_at": "2022-09-04T14:37:38.915052Z",
"structure_string": "Nd2 Mg1 Al1\n1.0\n0.000000 3.786183 3.786183\n3.786183 0.000000 3.786183\n3.786183 3.786183 -0.000000\nNd Mg Al\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Nd\n0.000000 0.000000 0.000000 Nd\n0.749999 0.749999 0.749999 Mg\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
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"formula_full": "Nd2 Mg1 Al1",
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{
"id": "jvasp-15998",
"created_at": "2022-09-04T14:36:36.761131Z",
"updated_at": "2022-09-04T14:36:36.761152Z",
"structure_string": "Sr3 Sn1 O1\n1.0\n5.138643 -0.000000 0.000000\n0.000000 5.138643 -0.000000\n-0.000000 0.000000 5.138643\nSr Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-63490",
"created_at": "2022-09-04T14:35:44.783673Z",
"updated_at": "2022-09-04T14:35:44.783718Z",
"structure_string": "As16 Se16\n1.0\n0.000000 6.770979 -0.023812\n13.909657 0.000000 0.000000\n0.000000 -4.099925 -9.206324\nAs Se\n16 16\ndirect\n0.353663 0.978269 0.112442 As\n0.661654 0.839979 0.964820 As\n0.661654 0.660022 0.464820 As\n0.338346 0.160022 0.035180 As\n0.149302 0.367307 0.826475 As\n0.850698 0.867307 0.673524 As\n0.850698 0.632693 0.173524 As\n0.149302 0.132693 0.326475 As\n0.338346 0.339979 0.535179 As\n0.429323 0.862013 0.568466 As\n0.429322 0.637987 0.068466 As\n0.570678 0.137987 0.431533 As\n0.353663 0.521732 0.612442 As\n0.646338 0.021732 0.887557 As\n0.646337 0.478269 0.387557 As\n0.570678 0.362013 0.931533 As\n0.945287 0.720903 0.399095 Se\n0.054713 0.220903 0.100905 Se\n0.624894 0.269524 0.744299 Se\n0.375107 0.769524 0.755700 Se\n0.375107 0.730476 0.255701 Se\n0.624894 0.230476 0.244299 Se\n0.081300 0.525141 0.712054 Se\n0.081300 0.974860 0.212054 Se\n0.918700 0.474859 0.287946 Se\n0.656146 0.514731 0.849665 Se\n0.343855 0.014731 0.650334 Se\n0.343855 0.485269 0.150334 Se\n0.656146 0.985269 0.349665 Se\n0.945287 0.779098 0.899095 Se\n0.918701 0.025141 0.787946 Se\n0.054713 0.279098 0.600905 Se\n",
"nsites": 32,
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"volume": 868.4279288697848,
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"formula_full": "As16 Se16",
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{
"id": "jvasp-103237",
"created_at": "2022-09-04T14:36:39.733188Z",
"updated_at": "2022-09-04T14:36:39.733216Z",
"structure_string": "Ce2 Ag1 Sn1\n1.0\n4.637155 -0.000000 2.677263\n1.545718 4.371952 2.677263\n-0.000000 -0.000000 5.354525\nCe Ag Sn\n2 1 1\ndirect\n0.750000 0.750000 0.749999 Ce\n0.250000 0.250000 0.250000 Ce\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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{
"id": "jvasp-85491",
"created_at": "2022-09-04T14:36:00.218586Z",
"updated_at": "2022-09-04T14:36:00.218602Z",
"structure_string": "K1 Eu1 Cu2 Te4\n1.0\n4.504288 0.000000 -0.000000\n0.000000 4.504288 -0.000000\n0.000000 0.000000 10.701047\nK Eu Cu Te\n1 1 2 4\ndirect\n0.500000 0.500000 0.513069 K\n0.000000 0.000000 0.985413 Eu\n0.000000 0.500000 0.235966 Cu\n0.500000 0.000000 0.235966 Cu\n0.000000 0.000000 0.369246 Te\n0.000000 0.500000 0.776449 Te\n0.500000 0.500000 0.084643 Te\n0.500000 0.000000 0.776449 Te\n",
"nsites": 8,
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"formula_full": "K1 Eu1 Cu2 Te4",
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{
"id": "jvasp-22654",
"created_at": "2022-09-04T14:36:48.050797Z",
"updated_at": "2022-09-04T14:36:48.050822Z",
"structure_string": "Cu2 I2\n1.0\n4.157805 -0.000000 0.000000\n-2.078903 3.600765 0.000000\n0.000000 0.000000 7.251002\nCu I\n2 2\ndirect\n0.333333 0.666666 0.853029 Cu\n-0.000000 -0.000000 0.662972 Cu\n-0.000000 -0.000000 0.024506 I\n0.333333 0.666666 0.491492 I\n",
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{
"id": "jvasp-80932",
"created_at": "2022-09-04T14:36:47.789947Z",
"updated_at": "2022-09-04T14:36:47.789968Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-10.536324 0.000001 -6.083149\n-6.886461 0.379008 -0.238597\n-5.986261 2.925160 -1.797790\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Mg\n0.739196 -0.000001 -0.000000 Cd\n0.260804 -0.000000 -0.000000 Cd\n",
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{
"id": "jvasp-35680",
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