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"results": [
{
"id": "jvasp-100038",
"created_at": "2022-09-04T14:36:53.708493Z",
"updated_at": "2022-09-04T14:36:53.708514Z",
"structure_string": "Al1 Sb1\n1.0\n4.146690 -0.002176 -0.618433\n-3.080823 2.775530 -0.618433\n0.000836 0.002176 4.192552\nAl Sb\n1 1\ndirect\n0.750000 0.250000 0.500001 Al\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-23548",
"created_at": "2022-09-04T14:37:40.923304Z",
"updated_at": "2022-09-04T14:37:40.923330Z",
"structure_string": "Sm4 In2 Ge4\n1.0\n7.530421 0.000000 -0.000000\n-0.000000 7.530421 0.000000\n0.000000 -0.000000 4.253482\nSm In Ge\n4 2 4\ndirect\n0.320482 0.820482 0.500000 Sm\n0.820482 0.679518 0.500000 Sm\n0.179518 0.320482 0.500000 Sm\n0.679518 0.179518 0.500000 Sm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.119605 0.619605 0.000000 Ge\n0.619605 0.880395 0.000000 Ge\n0.380395 0.119605 0.000000 Ge\n0.880395 0.380395 0.000000 Ge\n",
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"formula_full": "Sm4 In2 Ge4",
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{
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"structure_string": "Li1 Zn1 Hg2\n1.0\n-9.453001 -0.000000 -5.457693\n-6.279573 0.117928 -0.038845\n-5.299783 2.889193 -1.735891\nLi Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Zn\n0.756049 0.000000 0.000000 Hg\n0.243951 0.000000 0.000000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-114179",
"created_at": "2022-09-04T14:38:39.900220Z",
"updated_at": "2022-09-04T14:38:39.900239Z",
"structure_string": "Ca1 Sn1 S2\n1.0\n4.080341 0.000000 -0.000000\n0.000000 4.080341 0.000000\n0.000000 0.000000 5.795034\nCa Sn S\n1 1 2\ndirect\n0.000000 0.000000 0.250170 Ca\n0.500000 0.500000 0.745642 Sn\n0.000000 0.000000 0.749278 S\n0.500000 0.500000 0.254909 S\n",
"nsites": 4,
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"elements": [
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"Sn",
"S"
],
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"density": 3.83658945346627,
"density_atomic": 0.041458261307009324,
"volume": 96.48257968125938,
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"formula_full": "Ca1 Sn1 S2",
"formula_reduced": "CaSnS2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-42115",
"created_at": "2022-09-04T14:37:31.834184Z",
"updated_at": "2022-09-04T14:37:31.834201Z",
"structure_string": "Pm1 Cd1 Hg2\n1.0\n0.000000 3.640336 3.640336\n3.640336 0.000000 3.640336\n3.640336 3.640336 -0.000000\nPm Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
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"density_atomic": 0.041457736233524826,
"volume": 96.4838016593245,
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"formula_reduced": "PmCdHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-109105",
"created_at": "2022-09-04T14:37:59.526633Z",
"updated_at": "2022-09-04T14:37:59.526655Z",
"structure_string": "Pb4 I2 O2 F2\n1.0\n7.395029 0.029253 0.000000\n-5.011032 5.438462 0.000000\n0.000000 -0.000000 5.975863\nPb I O F\n4 2 2 2\ndirect\n0.406594 0.593406 0.220583 Pb\n0.593406 0.406593 0.779416 Pb\n0.093406 0.906593 0.220583 Pb\n0.906594 0.093406 0.779416 Pb\n0.750000 0.249999 0.244651 I\n0.250000 0.750000 0.755348 I\n0.250000 0.250000 -0.000000 O\n0.750000 0.749999 -0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.749999 0.500000 F\n",
"nsites": 10,
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"volume": 241.2107615292225,
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{
"id": "jvasp-39994",
"created_at": "2022-09-04T14:37:41.576356Z",
"updated_at": "2022-09-04T14:37:41.576375Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n-0.000000 3.640393 3.640393\n3.640393 -0.000000 3.640393\n3.640393 3.640393 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-96891",
"created_at": "2022-09-04T14:36:31.371375Z",
"updated_at": "2022-09-04T14:36:31.371396Z",
"structure_string": "Zn8 As16\n1.0\n7.768872 0.000000 0.000000\n0.000000 7.931889 -1.739809\n0.000000 -0.018556 9.399148\nZn As\n8 16\ndirect\n0.749460 0.393916 0.079911 Zn\n0.249460 0.106083 0.920089 Zn\n0.250540 0.606083 0.920088 Zn\n0.750540 0.893916 0.079911 Zn\n0.101311 0.223423 0.389329 Zn\n0.601311 0.276577 0.610671 Zn\n0.898689 0.776577 0.610671 Zn\n0.398689 0.723423 0.389329 Zn\n0.755702 0.107231 0.932431 As\n0.255702 0.392769 0.067569 As\n0.006281 0.937651 0.244009 As\n0.506281 0.562349 0.755990 As\n0.993719 0.062349 0.755990 As\n0.493719 0.437651 0.244010 As\n0.489004 0.932040 0.238399 As\n0.074802 0.719624 0.385640 As\n0.510995 0.067959 0.761601 As\n0.010996 0.432040 0.238399 As\n0.744297 0.607231 0.932431 As\n0.574802 0.780375 0.614360 As\n0.925198 0.280375 0.614360 As\n0.425198 0.219624 0.385640 As\n0.989004 0.567960 0.761601 As\n0.244298 0.892769 0.067569 As\n",
"nsites": 24,
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"elements": [
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"volume": 578.9418941229264,
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"formula_full": "Zn8 As16",
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"spacegroup": 14
},
{
"id": "jvasp-106270",
"created_at": "2022-09-04T14:38:38.059077Z",
"updated_at": "2022-09-04T14:38:38.059105Z",
"structure_string": "Nd1 Cd3\n1.0\n4.458739 -0.000000 2.574254\n1.486247 4.203739 2.574254\n-0.000000 -0.000000 5.148509\nNd Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.249999 Cd\n0.750001 0.750000 0.749998 Cd\n0.500000 0.500000 0.499999 Cd\n",
"nsites": 4,
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"Cd"
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"density": 8.285020135209695,
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"spacegroup": 225
},
{
"id": "jvasp-110141",
"created_at": "2022-09-04T14:38:18.168450Z",
"updated_at": "2022-09-04T14:38:18.168468Z",
"structure_string": "U2 As1 Se1\n1.0\n4.086936 0.000000 0.000000\n0.000000 4.086936 0.000000\n0.000000 0.000000 5.777511\nU As Se\n2 1 1\ndirect\n0.000000 0.000000 0.500000 U\n0.500001 0.500001 -0.000000 U\n0.000000 0.000000 0.000000 As\n0.500001 0.500001 0.500000 Se\n",
"nsites": 4,
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],
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"density": 10.839554391747035,
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"formula_full": "U2 As1 Se1",
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},
{
"id": "jvasp-101291",
"created_at": "2022-09-04T14:37:46.853521Z",
"updated_at": "2022-09-04T14:37:46.853543Z",
"structure_string": "K4 Mn6 S8\n1.0\n5.934593 0.000000 0.000000\n0.000000 6.903280 -2.072238\n0.000000 0.002163 10.599486\nK Mn S\n4 6 8\ndirect\n0.508109 0.750000 0.250000 K\n0.491890 0.250000 0.750000 K\n0.000000 0.500000 -0.000000 K\n0.000000 -0.000000 0.500000 K\n0.249866 0.967791 0.968958 Mn\n0.249866 0.532208 0.531042 Mn\n0.750135 0.032208 0.031042 Mn\n0.750135 0.467792 0.468958 Mn\n0.249283 0.250000 0.250000 Mn\n0.750716 0.750000 0.750000 Mn\n0.533110 0.723252 0.937163 S\n0.533110 0.776748 0.562838 S\n0.031132 0.955764 0.169662 S\n0.031132 0.544236 0.330338 S\n0.466890 0.223252 0.437163 S\n0.968868 0.455764 0.669662 S\n0.968868 0.044236 0.830338 S\n0.466890 0.276748 0.062838 S\n",
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"volume": 434.2680086508275,
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"formula_full": "K4 Mn6 S8",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 13
},
{
"id": "jvasp-71276",
"created_at": "2022-09-04T14:35:40.909240Z",
"updated_at": "2022-09-04T14:35:40.909270Z",
"structure_string": "Na2 Be1 Hg1\n1.0\n3.398157 -0.000000 -0.000000\n0.000000 3.398157 0.000000\n-0.000000 0.000000 8.357476\nNa Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.945469 Na\n0.500000 0.500000 0.301030 Na\n0.000000 0.000000 0.589361 Be\n0.500000 0.500000 0.664141 Hg\n",
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}
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}