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{
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{
"id": "jvasp-112466",
"created_at": "2022-09-04T14:38:40.324598Z",
"updated_at": "2022-09-04T14:38:40.324617Z",
"structure_string": "Ce4 N2 Cl6\n1.0\n6.191979 -0.005322 -5.397077\n-0.999488 5.531925 -5.988982\n-0.015181 0.005322 8.213940\nCe N Cl\n4 2 6\ndirect\n0.917390 0.594774 0.322617 Ce\n0.082610 0.405227 0.677383 Ce\n0.727844 0.905228 0.822617 Ce\n0.272156 0.094773 0.177383 Ce\n-0.000000 0.250000 0.250000 N\n-0.000000 0.750000 0.750000 N\n0.500000 0.250000 0.750000 Cl\n0.500000 0.750001 0.250001 Cl\n0.998831 0.804259 0.194574 Cl\n0.001169 0.195742 0.805426 Cl\n0.390316 0.695743 0.694574 Cl\n0.609684 0.304258 0.305427 Cl\n",
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{
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"structure_string": "Pm2 Zn1 Pt1\n1.0\n-0.000000 3.605028 3.605028\n3.605028 0.000000 3.605028\n3.605028 3.605028 -0.000000\nPm Zn Pt\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Pm\n0.000000 0.000000 0.000000 Pm\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Pt\n",
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"spacegroup": 225
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{
"id": "jvasp-16279",
"created_at": "2022-09-04T14:37:53.858868Z",
"updated_at": "2022-09-04T14:37:53.858892Z",
"structure_string": "Tl1 S1\n1.0\n3.605153 0.000000 0.000000\n-0.000000 3.605153 0.000000\n0.000000 0.000000 3.605153\nTl S\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 S\n",
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"elements": [
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"volume": 46.856635553646925,
"volume_molar": 14.108862742204114,
"formula_full": "Tl1 S1",
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},
{
"id": "jvasp-120341",
"created_at": "2022-09-04T14:38:53.778302Z",
"updated_at": "2022-09-04T14:38:53.778326Z",
"structure_string": "Mg2 Se1\n1.0\n3.667543 0.728190 0.563056\n1.061696 -5.541681 0.226224\n-1.326598 -0.393408 -3.533718\nMg Se\n2 1\ndirect\n0.696521 0.425696 0.378120 Mg\n0.360913 0.857544 0.706380 Mg\n0.028710 0.141590 0.042111 Se\n",
"nsites": 3,
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"volume": 70.28584808070703,
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"spacegroup": 164
},
{
"id": "jvasp-110491",
"created_at": "2022-09-04T14:38:38.268574Z",
"updated_at": "2022-09-04T14:38:38.268589Z",
"structure_string": "Sm3 Mg3 Au3\n1.0\n7.664754 -0.000000 0.000000\n-3.832377 6.637872 0.000000\n0.000000 0.000000 4.144431\nSm Mg Au\n3 3 3\ndirect\n0.587978 0.000000 0.000000 Sm\n-0.000000 0.587978 0.000000 Sm\n0.412022 0.412022 0.000000 Sm\n0.244103 0.000000 0.500000 Mg\n-0.000000 0.244103 0.500000 Mg\n0.755897 0.755897 0.500000 Mg\n0.333332 0.666667 0.500000 Au\n0.666666 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:36:00.757829Z",
"updated_at": "2022-09-04T14:36:00.757857Z",
"structure_string": "Ce2 Sc2 Si2\n1.0\n4.222056 0.000000 -0.000000\n0.000000 4.222056 -0.000000\n-2.111028 -2.111028 7.886540\nCe Sc Si\n2 2 2\ndirect\n0.678970 0.678970 0.357937 Ce\n0.321031 0.321031 0.642063 Ce\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.876264 0.876264 0.752526 Si\n0.123737 0.123737 0.247474 Si\n",
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"formula_full": "Ce2 Sc2 Si2",
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},
{
"id": "jvasp-15875",
"created_at": "2022-09-04T14:37:54.054011Z",
"updated_at": "2022-09-04T14:37:54.054044Z",
"structure_string": "Ce2 Sc2 Si2\n1.0\n4.083300 -0.000000 -1.072380\n-0.281635 4.073575 -1.072380\n0.032468 0.034791 8.433805\nCe Sc Si\n2 2 2\ndirect\n0.678963 0.678961 0.357923 Ce\n0.321039 0.321038 0.642077 Ce\n0.500000 0.000000 -0.000000 Sc\n0.000001 0.499999 -0.000000 Sc\n0.876268 0.876266 0.752534 Si\n0.123733 0.123733 0.247466 Si\n",
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},
{
"id": "jvasp-40938",
"created_at": "2022-09-04T14:37:33.885235Z",
"updated_at": "2022-09-04T14:37:33.885262Z",
"structure_string": "Li1 Pm2 Si1\n1.0\n-0.000000 3.605337 3.605337\n3.605337 -0.000000 3.605337\n3.605337 3.605337 0.000000\nLi Pm Si\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500001 0.500001 Pm\n0.750001 0.750001 0.750001 Si\n",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-8811",
"created_at": "2022-09-04T14:37:04.105410Z",
"updated_at": "2022-09-04T14:37:04.105430Z",
"structure_string": "Ho2 Cd1 S4\n1.0\n7.744085 0.000023 0.000013\n7.744110 6.702077 -0.002989\n3.872064 4.466633 3.158437\nHo Cd S\n2 1 4\ndirect\n0.500007 -0.000001 0.000002 Ho\n0.749998 0.500000 0.000002 Ho\n0.250002 0.500018 0.999973 Cd\n0.994736 0.499973 0.510562 S\n0.505265 0.500004 0.489461 S\n0.253022 0.000006 0.493947 S\n0.746973 -0.000002 0.506052 S\n",
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{
"id": "jvasp-37465",
"created_at": "2022-09-04T14:38:04.461877Z",
"updated_at": "2022-09-04T14:38:04.461899Z",
"structure_string": "Tm6 Si2\n1.0\n3.244355 -5.619388 0.000000\n3.244355 5.619388 -0.000000\n0.000000 0.000000 5.141394\nTm Si\n6 2\ndirect\n0.174340 0.348680 0.250000 Tm\n0.651321 0.825662 0.250000 Tm\n0.174340 0.825662 0.250000 Tm\n0.825662 0.651321 0.749999 Tm\n0.348680 0.174340 0.749999 Tm\n0.825662 0.174340 0.749999 Tm\n0.333334 0.666668 0.749999 Si\n0.666668 0.333334 0.250000 Si\n",
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},
{
"id": "jvasp-33919",
"created_at": "2022-09-04T14:37:34.133938Z",
"updated_at": "2022-09-04T14:37:34.133963Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.873862 -2.849220 0.000023\n6.389491 -6.243303 0.081980\n-1.386872 2.953060 14.079585\nTe Mo S\n7 6 5\ndirect\n0.471410 0.173011 0.115842 Te\n0.906232 0.579543 0.391997 Te\n0.102133 0.413907 0.618153 Te\n0.517850 0.844865 0.880573 Te\n0.147844 0.819435 0.115124 Te\n0.425978 0.767387 0.619346 Te\n0.193893 0.495624 0.883398 Te\n0.303061 0.650099 0.256228 Mo\n0.705746 0.339439 0.750916 Mo\n0.633369 0.981020 0.247768 Mo\n0.032420 0.685154 0.749971 Mo\n0.970013 0.314925 0.254977 Mo\n0.358753 0.032987 0.750505 Mo\n0.222696 0.908538 0.353922 S\n0.563756 0.228447 0.355977 S\n0.848909 0.161816 0.859651 S\n0.823388 0.507526 0.154290 S\n0.772534 0.096276 0.641357 S\n",
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