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"id": "jvasp-54801",
"created_at": "2022-09-04T14:37:43.556114Z",
"updated_at": "2022-09-04T14:37:43.556134Z",
"structure_string": "Hf10 Sb18\n1.0\n8.869779 -0.000000 0.000000\n0.000000 8.869779 -0.000000\n-0.000000 0.000000 8.714583\nHf Sb\n10 18\ndirect\n-0.000000 0.500000 0.255979 Hf\n0.293256 0.394680 0.732785 Hf\n0.706744 0.605320 0.732785 Hf\n0.105320 0.793257 0.732785 Hf\n0.394680 0.706744 0.267214 Hf\n0.206744 0.105320 0.267214 Hf\n0.894680 0.206744 0.732785 Hf\n0.605320 0.293256 0.267214 Hf\n0.500000 0.000000 0.744021 Hf\n0.793257 0.894680 0.267214 Hf\n0.420102 0.231613 0.997613 Sb\n0.403113 0.696618 0.620182 Sb\n0.231613 0.579898 0.002387 Sb\n-0.000000 0.500000 0.610008 Sb\n0.096888 0.803382 0.379818 Sb\n0.579898 0.768387 0.997613 Sb\n0.731613 0.079898 0.997613 Sb\n0.196618 0.096888 0.620182 Sb\n0.596888 0.303382 0.620182 Sb\n0.079898 0.268387 0.002387 Sb\n0.903113 0.196618 0.379818 Sb\n0.803382 0.903113 0.620182 Sb\n0.768387 0.420102 0.002387 Sb\n0.696618 0.596888 0.379818 Sb\n0.268387 0.920102 0.997613 Sb\n0.920102 0.731613 0.002387 Sb\n0.500000 0.000000 0.389991 Sb\n0.303382 0.403113 0.379818 Sb\n",
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{
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"updated_at": "2022-09-04T14:37:11.388904Z",
"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.121697 0.000000 -0.000000\n-0.000000 4.121697 -0.000000\n-0.000000 0.000000 14.413476\nSr Sb Se F\n2 2 4 2\ndirect\n0.250000 0.250000 0.599433 Sr\n0.750001 0.750001 0.400567 Sr\n0.250000 0.250000 0.131813 Sb\n0.750001 0.750001 0.868188 Sb\n0.750001 0.750001 0.690537 Se\n0.750001 0.750001 0.108126 Se\n0.250000 0.250000 0.891875 Se\n0.250000 0.250000 0.309463 Se\n0.750001 0.250000 0.500000 F\n0.250000 0.750001 0.500000 F\n",
"nsites": 10,
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"density": 5.239395134899597,
"density_atomic": 0.040839380578791364,
"volume": 244.86169619313918,
"volume_molar": 14.745916012074405,
"formula_full": "Sr2 Sb2 Se4 F2",
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"spacegroup": 129
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{
"id": "jvasp-16575",
"created_at": "2022-09-04T14:37:44.450785Z",
"updated_at": "2022-09-04T14:37:44.450808Z",
"structure_string": "Mg1 Tl1\n1.0\n3.658627 -0.000000 0.000000\n-0.000000 3.658627 -0.000000\n-0.000000 -0.000000 3.658627\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
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},
{
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"created_at": "2022-09-04T14:37:34.841994Z",
"updated_at": "2022-09-04T14:37:34.842009Z",
"structure_string": "Pr1 Cd3\n1.0\n-0.000000 3.658644 3.658644\n3.658644 0.000000 3.658644\n3.658644 3.658644 0.000000\nPr Cd\n1 3\ndirect\n0.749998 0.749998 0.749998 Pr\n0.000000 0.000000 0.000000 Cd\n0.499998 0.499998 0.499998 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-57086",
"created_at": "2022-09-04T14:37:49.646889Z",
"updated_at": "2022-09-04T14:37:49.646914Z",
"structure_string": "K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n",
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{
"id": "jvasp-5668",
"created_at": "2022-09-04T14:37:04.702827Z",
"updated_at": "2022-09-04T14:37:04.702852Z",
"structure_string": "Ta2 Cl8\n1.0\n5.950924 -0.000000 3.292953\n2.747633 5.870328 2.058203\n0.008390 -0.067071 7.008480\nTa Cl\n2 8\ndirect\n0.280791 0.000000 -0.000000 Ta\n0.719209 0.000000 -0.000000 Ta\n0.225187 0.751917 0.308893 Cl\n0.285997 0.248084 0.691107 Cl\n0.810756 0.220448 0.158038 Cl\n0.189242 0.779552 0.841962 Cl\n0.718062 0.745453 0.818420 Cl\n0.281936 0.254548 0.181579 Cl\n0.714001 0.751917 0.308893 Cl\n0.774811 0.248084 0.691107 Cl\n",
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"volume": 244.8858379642872,
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"formula_full": "Ta2 Cl8",
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{
"id": "jvasp-107493",
"created_at": "2022-09-04T14:36:59.289877Z",
"updated_at": "2022-09-04T14:36:59.289898Z",
"structure_string": "Lu2 In4\n1.0\n7.391428 -0.051663 0.000000\n-5.960102 4.371848 0.000000\n-0.000000 -0.000000 4.590910\nLu In\n2 4\ndirect\n0.843865 0.156137 0.500000 Lu\n0.156137 0.843864 0.500000 Lu\n0.675959 0.324042 -0.000000 In\n0.324042 0.675959 -0.000000 In\n0.500001 0.500001 0.500000 In\n0.000000 0.000000 0.000000 In\n",
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{
"id": "jvasp-79959",
"created_at": "2022-09-04T14:37:12.953686Z",
"updated_at": "2022-09-04T14:37:12.953707Z",
"structure_string": "Pm2 Si1 Au1\n1.0\n0.000000 3.658822 3.658822\n3.658822 0.000000 3.658822\n3.658822 3.658822 -0.000000\nPm Si Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500001 0.500001 Pm\n0.750000 0.750000 0.750000 Si\n0.249999 0.249999 0.249999 Au\n",
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{
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"created_at": "2022-09-04T14:37:39.721272Z",
"updated_at": "2022-09-04T14:37:39.721295Z",
"structure_string": "Ac1 Ag1 Au2\n1.0\n0.000000 3.658859 3.658859\n3.658859 0.000000 3.658859\n3.658859 3.658859 0.000000\nAc Ag Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750001 0.750001 0.750001 Ag\n0.500001 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:38:18.917310Z",
"updated_at": "2022-09-04T14:38:18.917343Z",
"structure_string": "Sr2 Cl2 O2\n1.0\n4.226384 0.000000 0.000000\n-2.113193 3.660156 0.000000\n-0.000000 -0.000000 9.499672\nSr Cl O\n2 2 2\ndirect\n0.666666 0.333334 0.437295 Sr\n0.333334 0.666667 0.937295 Sr\n0.666666 0.333334 0.747320 Cl\n0.333334 0.666667 0.247320 Cl\n0.000000 0.000000 0.988195 O\n0.000000 0.000000 0.488196 O\n",
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{
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"created_at": "2022-09-04T14:36:22.186227Z",
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"structure_string": "Zn1 Ga2 Se4\n1.0\n5.581727 0.000847 -0.000062\n-0.000797 5.581743 -0.001592\n-2.790682 -2.789762 5.503666\nZn Ga Se\n1 2 4\ndirect\n0.249933 0.749969 0.500000 Zn\n0.000050 -0.000004 0.000004 Ga\n0.749979 0.250029 0.500001 Ga\n0.622371 0.152331 0.768207 Se\n0.847607 0.854175 0.231757 Se\n0.145911 0.615821 0.768272 Se\n0.384153 0.377683 0.231763 Se\n",
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