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{
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{
"id": "jvasp-111041",
"created_at": "2022-09-04T14:38:40.246383Z",
"updated_at": "2022-09-04T14:38:40.246410Z",
"structure_string": "La2 Ga7 Co1\n1.0\n4.311538 0.000000 0.000000\n0.000000 4.311538 0.000000\n0.000000 0.000000 10.581451\nLa Ga Co\n2 7 1\ndirect\n0.500000 0.000000 0.758212 La\n-0.000000 0.500000 0.241788 La\n-0.000000 0.500000 0.880172 Ga\n0.500000 0.000000 0.359750 Ga\n0.500000 0.000000 0.119827 Ga\n-0.000000 0.500000 0.640250 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Co\n",
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{
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"structure_string": "Li8 V4 F16\n1.0\n5.973006 0.000000 0.000000\n0.000000 5.973006 0.000000\n0.000000 0.000000 8.446868\nLi V F\n8 4 16\ndirect\n0.250734 0.250734 0.375000 Li\n0.250734 0.749267 0.125000 Li\n0.284077 0.500000 0.750000 Li\n0.500000 0.284077 0.000000 Li\n0.500000 0.715924 0.500000 Li\n0.715924 0.500000 0.250000 Li\n0.749267 0.250734 0.625000 Li\n0.749267 0.749267 0.875000 Li\n0.731570 0.000000 0.250000 V\n0.268431 0.000000 0.750000 V\n0.000000 0.731570 0.500000 V\n0.000000 0.268431 0.000000 V\n0.747538 0.021014 0.003119 F\n0.747538 0.978987 0.496881 F\n0.744532 0.499708 0.011508 F\n0.744532 0.500293 0.488492 F\n0.500293 0.744532 0.261508 F\n0.500293 0.255469 0.238492 F\n0.499708 0.744532 0.738493 F\n0.021014 0.747538 0.746882 F\n0.255469 0.500293 0.511508 F\n0.255469 0.499708 0.988493 F\n0.252463 0.978987 0.503119 F\n0.252463 0.021014 0.996882 F\n0.978987 0.252463 0.246881 F\n0.021014 0.252463 0.753119 F\n0.499708 0.255469 0.761508 F\n0.978987 0.747538 0.253119 F\n",
"nsites": 28,
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"elements": [
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"volume": 301.3572259727868,
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"formula_full": "Li8 V4 F16",
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"spacegroup": 91
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{
"id": "jvasp-17431",
"created_at": "2022-09-04T14:37:36.976531Z",
"updated_at": "2022-09-04T14:37:36.976552Z",
"structure_string": "Cd1 Cu2 Sn1 Se4\n1.0\n5.375027 -0.000000 -2.447910\n-1.114835 5.258142 -2.447910\n0.005399 0.006663 7.136946\nCd Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.749999 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.500001 0.500000 0.000000 Sn\n0.395418 0.395417 0.281817 Se\n0.886401 0.886399 0.281817 Se\n0.113601 0.604582 0.718184 Se\n0.604583 0.113600 0.718184 Se\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Cd-Cu-Se-Sn",
"density": 5.544219352862616,
"density_atomic": 0.039626639874066866,
"volume": 201.88438952744755,
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"formula_full": "Cd1 Cu2 Sn1 Se4",
"formula_reduced": "CdCu2SnSe4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-42018",
"created_at": "2022-09-04T14:37:31.098538Z",
"updated_at": "2022-09-04T14:37:31.098553Z",
"structure_string": "Sr2 Li1 Pt1\n1.0\n0.000000 3.765284 3.765284\n3.765284 0.000000 3.765284\n3.765284 3.765284 -0.000000\nSr Li Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.249999 0.249999 0.249999 Li\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
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"density": 5.86776080157224,
"density_atomic": 0.03746595258536042,
"volume": 106.76360065546484,
"volume_molar": 16.07363577979094,
"formula_full": "Sr2 Li1 Pt1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-38446",
"created_at": "2022-09-04T14:38:02.411784Z",
"updated_at": "2022-09-04T14:38:02.411813Z",
"structure_string": "Li3 Cd1\n1.0\n-2.139668 2.139668 3.895982\n2.139668 -2.139668 3.895982\n2.139668 2.139668 -3.895982\nLi Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-104976",
"created_at": "2022-09-04T14:36:52.755475Z",
"updated_at": "2022-09-04T14:36:52.755493Z",
"structure_string": "Ag1 Pd1\n1.0\n2.730725 0.007314 4.109336\n1.246293 2.429746 4.109336\n0.011935 0.007314 4.933899\nAg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.499999 0.500002 Pd\n",
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"spacegroup": 166
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{
"id": "jvasp-109014",
"created_at": "2022-09-04T14:37:46.929496Z",
"updated_at": "2022-09-04T14:37:46.929524Z",
"structure_string": "Li4 S4\n1.0\n4.501513 0.009090 -6.239048\n-0.462583 4.477692 -6.239048\n-0.008182 -0.009090 7.693457\nLi S\n4 4\ndirect\n0.722874 0.722874 -0.000001 Li\n0.277126 0.277126 -0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.040125 0.717108 -0.000000 S\n0.717108 0.040124 -0.000001 S\n0.959876 0.959876 0.676984 S\n0.282891 0.282891 0.323015 S\n",
"nsites": 8,
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"volume": 154.59501895076968,
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"formula_full": "Li4 S4",
"formula_reduced": "LiS",
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"spacegroup": 121
},
{
"id": "jvasp-40435",
"created_at": "2022-09-04T14:38:03.218775Z",
"updated_at": "2022-09-04T14:38:03.218801Z",
"structure_string": "Li3 Cd1\n1.0\n-0.000000 3.289440 3.289440\n3.289440 -0.000000 3.289440\n3.289440 3.289440 -0.000000\nLi Cd\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Li\n0.749999 0.749999 0.749999 Cd\n",
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"spacegroup": 225
},
{
"id": "jvasp-65763",
"created_at": "2022-09-04T14:36:18.072181Z",
"updated_at": "2022-09-04T14:36:18.072214Z",
"structure_string": "Ba1 Li1 Bi2\n1.0\n4.223348 -0.000000 -0.000000\n0.000000 4.223348 0.000000\n0.000000 -0.000000 7.312048\nBa Li Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.794362 Bi\n0.000000 0.000000 0.205638 Bi\n",
"nsites": 4,
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},
{
"id": "jvasp-44129",
"created_at": "2022-09-04T14:38:18.350828Z",
"updated_at": "2022-09-04T14:38:18.350840Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.875181 4.433899 0.125863\n-4.875181 4.433899 -0.125863\n-0.453923 0.000000 5.657498\nLi Mn F\n4 4 12\ndirect\n0.334026 0.665974 0.910056 Li\n0.330188 0.330188 0.500000 Li\n0.669813 0.669812 0.500000 Li\n0.665975 0.334026 0.089944 Li\n0.233191 0.766810 0.337147 Mn\n0.187870 0.187870 0.000000 Mn\n0.812131 0.812131 0.000000 Mn\n0.766810 0.233190 0.662854 Mn\n0.921791 0.718146 0.338240 F\n0.281855 0.078209 0.338240 F\n0.474364 0.228045 0.848795 F\n0.771955 0.525637 0.848795 F\n0.228045 0.474363 0.151206 F\n0.379008 0.620992 0.606172 F\n0.078210 0.281854 0.661761 F\n0.718146 0.921791 0.661761 F\n0.620993 0.379008 0.393828 F\n0.140438 0.859562 0.946681 F\n0.525637 0.771955 0.151206 F\n0.859563 0.140438 0.053320 F\n",
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"formula_full": "Li4 Mn4 F12",
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{
"id": "jvasp-1705",
"created_at": "2022-09-04T14:35:44.605838Z",
"updated_at": "2022-09-04T14:35:44.605854Z",
"structure_string": "Rb1 Pr1 Se2\n1.0\n4.227873 -0.001195 7.175985\n1.955843 3.748279 7.175985\n-0.001971 -0.001195 8.328845\nRb Pr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500001 Pr\n0.235125 0.235126 0.235126 Se\n0.764872 0.764876 0.764875 Se\n",
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{
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"created_at": "2022-09-04T14:37:46.341896Z",
"updated_at": "2022-09-04T14:37:46.341916Z",
"structure_string": "In1 Sb1\n1.0\n3.820111 -0.000000 0.000000\n0.000000 3.820111 0.000000\n-0.000000 -0.000000 3.820111\nIn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
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}