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{
"id": "jvasp-58908",
"created_at": "2022-09-04T14:36:30.996197Z",
"updated_at": "2022-09-04T14:36:30.996219Z",
"structure_string": "Pt2 S4 Cl16\n1.0\n0.000000 6.223151 -0.070219\n7.128407 0.000000 0.000000\n0.000000 -2.043965 -12.167527\nPt S Cl\n2 4 16\ndirect\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.700360 0.788150 0.978947 S\n0.700360 0.711851 0.478947 S\n0.299640 0.211850 0.021054 S\n0.299641 0.288150 0.521054 S\n0.256904 0.664055 0.624645 Cl\n0.743097 0.164055 0.875355 Cl\n0.743097 0.335946 0.375355 Cl\n0.256903 0.835946 0.124645 Cl\n0.297928 0.159033 0.666871 Cl\n0.702073 0.659033 0.833129 Cl\n0.702073 0.840968 0.333129 Cl\n0.219484 0.075020 0.413228 Cl\n0.780516 0.575020 0.086773 Cl\n0.171698 0.894586 0.854225 Cl\n0.219485 0.424980 0.913228 Cl\n0.780516 0.924981 0.586773 Cl\n0.828303 0.105415 0.145775 Cl\n0.171698 0.605415 0.354225 Cl\n0.297928 0.340967 0.166871 Cl\n0.828303 0.394586 0.645775 Cl\n",
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{
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"structure_string": "Eu2 I2 O2\n1.0\n3.994260 0.000020 -0.000046\n0.000019 3.994260 -0.000043\n-0.000105 -0.000099 9.244603\nEu I O\n2 2 2\ndirect\n0.000011 0.500010 0.122728 Eu\n0.499987 -0.000011 0.877269 Eu\n-0.000021 0.499989 0.673306 I\n0.500019 0.000011 0.326696 I\n0.000001 0.000003 0.000001 O\n0.499999 0.499997 0.000000 O\n",
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{
"id": "jvasp-122853",
"created_at": "2022-09-04T14:38:54.988974Z",
"updated_at": "2022-09-04T14:38:54.989001Z",
"structure_string": "Sm3 H1\n1.0\n1.792427 -3.104574 -0.000000\n1.792427 3.104574 0.000000\n-0.000000 -0.000000 8.835002\nSm H\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.164871 Sm\n0.666668 0.333334 0.835129 Sm\n0.000000 0.000000 0.000000 H\n",
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"spacegroup": 164
},
{
"id": "jvasp-101477",
"created_at": "2022-09-04T14:36:34.511625Z",
"updated_at": "2022-09-04T14:36:34.511658Z",
"structure_string": "Li1 Ca1 Sb1\n1.0\n4.076494 -0.000000 2.353565\n1.358831 3.843356 2.353565\n0.000000 -0.000000 4.707130\nLi Ca Sb\n1 1 1\ndirect\n0.749999 0.750001 0.750002 Li\n0.499999 0.500001 0.500001 Ca\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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],
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"density_atomic": 0.040678753887724864,
"volume": 73.74857175517546,
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"formula_full": "Li1 Ca1 Sb1",
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"spacegroup": 216
},
{
"id": "jvasp-109837",
"created_at": "2022-09-04T14:38:13.305153Z",
"updated_at": "2022-09-04T14:38:13.305177Z",
"structure_string": "Na2 Al1 Ag1 Cl6\n1.0\n6.089481 -0.000000 3.515763\n2.029827 5.741218 3.515763\n-0.000000 -0.000000 7.031527\nNa Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.766154 0.233846 0.233845 Cl\n0.233846 0.233846 0.766154 Cl\n0.233846 0.766154 0.766154 Cl\n0.233846 0.766154 0.233845 Cl\n0.766154 0.233846 0.766154 Cl\n0.766154 0.766154 0.233845 Cl\n",
"nsites": 10,
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"formula_full": "Na2 Al1 Ag1 Cl6",
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{
"id": "jvasp-41790",
"created_at": "2022-09-04T14:37:31.732255Z",
"updated_at": "2022-09-04T14:37:31.732278Z",
"structure_string": "Li1 Pm2 Ga1\n1.0\n0.000000 3.663471 3.663471\n3.663471 -0.000000 3.663471\n3.663471 3.663471 0.000000\nLi Pm Ga\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Ga\n",
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"created_at": "2022-09-04T14:37:06.415678Z",
"updated_at": "2022-09-04T14:37:06.415733Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n3.861391 -0.000000 0.000000\n0.000000 6.469926 0.038431\n0.000000 0.001396 6.888171\nAl Zn Se\n2 1 4\ndirect\n0.500000 0.521040 0.171733 Al\n0.500000 0.972446 0.851125 Al\n-0.000000 0.512236 0.651715 Zn\n-0.000000 0.893232 0.646031 Se\n0.500000 0.882242 0.178129 Se\n0.500000 0.364611 0.841588 Se\n-0.000000 0.354197 0.326328 Se\n",
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"volume": 172.08637673435317,
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"formula_full": "Al2 Zn1 Se4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 6
},
{
"id": "jvasp-16077",
"created_at": "2022-09-04T14:36:51.335736Z",
"updated_at": "2022-09-04T14:36:51.335758Z",
"structure_string": "Te4 Pt3\n1.0\n3.979124 0.001568 0.668810\n1.931860 3.478700 0.668810\n-0.041451 -0.024405 12.425441\nTe Pt\n4 3\ndirect\n0.945805 0.945807 0.162484 Te\n0.054193 0.054195 0.837516 Te\n0.794990 0.794993 0.614933 Te\n0.205008 0.205009 0.385067 Te\n0.646503 0.646505 0.060448 Pt\n0.499999 0.500001 0.500000 Pt\n0.353495 0.353497 0.939552 Pt\n",
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{
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"created_at": "2022-09-04T14:38:54.774429Z",
"updated_at": "2022-09-04T14:38:54.774462Z",
"structure_string": "Ba1 C1 N1\n1.0\n4.519046 0.000000 -0.000000\n-2.259523 3.913608 0.000000\n0.000000 -0.000000 4.170133\nBa C N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333335 0.666666 0.000000 C\n0.666668 0.333333 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:37:37.746217Z",
"updated_at": "2022-09-04T14:37:37.746244Z",
"structure_string": "Fe1 Bi1 O3\n1.0\n4.764233 -0.253489 2.299534\n1.337287 4.579721 2.299532\n-0.357508 -0.253487 5.278065\nFe Bi O\n1 1 3\ndirect\n0.280407 0.280407 0.280407 Fe\n0.029084 0.029084 0.029084 Bi\n0.024932 0.186302 0.593274 O\n0.593274 0.024932 0.186302 O\n0.186303 0.593274 0.024931 O\n",
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{
"id": "jvasp-101181",
"created_at": "2022-09-04T14:36:41.703087Z",
"updated_at": "2022-09-04T14:36:41.703105Z",
"structure_string": "La2 Al3 Ge1\n1.0\n4.380415 0.000000 0.000000\n-2.190208 3.793551 0.000000\n-0.000000 -0.000000 8.876731\nLa Al Ge\n2 3 1\ndirect\n0.666667 0.333333 0.249151 La\n0.666667 0.333333 0.750849 La\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 -0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:59.057565Z",
"updated_at": "2022-09-04T14:36:59.057593Z",
"structure_string": "Pt2 S4 Cl16\n1.0\n0.000000 6.223875 -0.069933\n7.127005 0.000000 0.000000\n0.000000 -2.044794 -12.170257\nPt S Cl\n2 4 16\ndirect\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.700369 0.788127 0.978969 S\n0.700369 0.711872 0.478969 S\n0.299630 0.211873 0.021031 S\n0.299631 0.288127 0.521031 S\n0.256872 0.664198 0.624567 Cl\n0.743128 0.164198 0.875433 Cl\n0.743128 0.335801 0.375433 Cl\n0.256872 0.835801 0.124567 Cl\n0.298098 0.159126 0.666866 Cl\n0.701902 0.659126 0.833134 Cl\n0.701902 0.840873 0.333134 Cl\n0.219452 0.074866 0.413287 Cl\n0.780548 0.574866 0.086713 Cl\n0.171579 0.894621 0.854213 Cl\n0.219452 0.425133 0.913287 Cl\n0.780548 0.925133 0.586713 Cl\n0.828421 0.105379 0.145787 Cl\n0.171579 0.605378 0.354213 Cl\n0.298098 0.340874 0.166866 Cl\n0.828421 0.394621 0.645787 Cl\n",
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