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{
"id": "jvasp-17976",
"created_at": "2022-09-04T14:38:14.679649Z",
"updated_at": "2022-09-04T14:38:14.679679Z",
"structure_string": "Sr1 Mn2 Ge2\n1.0\n3.813848 -0.000000 -1.398466\n-0.512791 3.779218 -1.398466\n0.191913 0.219712 6.423110\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.633941 0.633941 0.267880 Ge\n0.366059 0.366059 0.732118 Ge\n",
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{
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"structure_string": "Pr4 Mg2 Ni4\n1.0\n7.548238 0.000000 0.000000\n0.000000 7.548238 0.000000\n0.000000 -0.000000 3.894426\nPr Mg Ni\n4 2 4\ndirect\n0.674168 0.174168 0.500000 Pr\n0.174168 0.325832 0.500000 Pr\n0.825832 0.674168 0.500000 Pr\n0.325832 0.825832 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.879725 0.379724 0.000000 Ni\n0.379724 0.120276 0.000000 Ni\n0.620276 0.879725 0.000000 Ni\n0.120276 0.620276 0.000000 Ni\n",
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"structure_string": "La4 Sc2 Si4\n1.0\n7.455774 0.000000 0.000000\n0.000000 7.455774 0.000000\n-0.000000 0.000000 4.558217\nLa Sc Si\n4 2 4\ndirect\n0.678487 0.178487 0.500000 La\n0.321513 0.821512 0.500000 La\n0.178487 0.321513 0.500000 La\n0.821512 0.678487 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 -0.000000 Sc\n0.118033 0.618033 -0.000000 Si\n0.881966 0.381966 -0.000000 Si\n0.618033 0.881966 -0.000000 Si\n0.381966 0.118033 -0.000000 Si\n",
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"volume": 253.3847462691172,
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"formula_full": "La4 Sc2 Si4",
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{
"id": "jvasp-21450",
"created_at": "2022-09-04T14:38:29.680328Z",
"updated_at": "2022-09-04T14:38:29.680353Z",
"structure_string": "Sm2 B4 C4\n1.0\n5.372306 -0.000000 0.000000\n0.000000 5.372306 -0.000000\n-0.000000 -0.000000 3.728254\nSm B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Sm\n0.137874 0.637874 0.499999 B\n0.637874 0.862127 0.499999 B\n0.362126 0.137874 0.499999 B\n0.862127 0.362126 0.499999 B\n0.839012 0.660989 0.499999 C\n0.339012 0.839012 0.499999 C\n0.160988 0.339012 0.499999 C\n0.660989 0.160988 0.499999 C\n",
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"elements": [
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"density": 6.049447644644665,
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"volume": 107.60364317709345,
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"formula_full": "Sm2 B4 C4",
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"spacegroup": 127
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{
"id": "jvasp-52101",
"created_at": "2022-09-04T14:38:29.092978Z",
"updated_at": "2022-09-04T14:38:29.092989Z",
"structure_string": "Er8 Sn4 Au8\n1.0\n7.868595 0.000000 0.000000\n0.000000 7.868595 0.000000\n0.000000 0.000000 7.392906\nEr Sn Au\n8 4 8\ndirect\n0.341908 0.658092 0.000000 Er\n0.158092 0.158092 0.500000 Er\n0.841909 0.841909 0.500000 Er\n0.658092 0.341908 0.000000 Er\n0.180460 0.180460 0.000000 Er\n0.680461 0.319540 0.500000 Er\n0.319540 0.680461 0.500000 Er\n0.819540 0.819540 0.000000 Er\n0.500000 0.000000 0.250000 Sn\n0.500000 0.000000 0.750000 Sn\n0.000000 0.500000 0.250000 Sn\n0.000000 0.500000 0.750000 Sn\n0.628527 0.628527 0.726944 Au\n0.371474 0.371474 0.726944 Au\n0.871474 0.128526 0.226944 Au\n0.128526 0.871474 0.226944 Au\n0.628527 0.628527 0.273056 Au\n0.128526 0.871474 0.773057 Au\n0.871474 0.128526 0.773057 Au\n0.371474 0.371474 0.273056 Au\n",
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{
"id": "jvasp-56720",
"created_at": "2022-09-04T14:38:19.665932Z",
"updated_at": "2022-09-04T14:38:19.665953Z",
"structure_string": "Sr2 Bi4 Pd4\n1.0\n0.000000 4.982566 -0.015401\n4.834349 0.000000 0.000000\n0.000000 -0.387457 -10.842775\nSr Bi Pd\n2 4 4\ndirect\n0.735036 0.250000 0.237301 Sr\n0.264964 0.750000 0.762699 Sr\n0.799073 0.250000 0.880855 Bi\n0.200927 0.750000 0.119146 Bi\n0.751496 0.750000 0.496048 Bi\n0.248504 0.250000 0.503953 Bi\n0.753803 0.250000 0.630162 Pd\n0.246197 0.750000 0.369839 Pd\n0.316014 0.250000 0.000271 Pd\n0.683987 0.750000 -0.000271 Pd\n",
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"density": 9.134368302646802,
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"volume": 261.2037888405152,
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"spacegroup": 11
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{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
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"elements": [
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"density": 3.4063956487505775,
"density_atomic": 0.03401667070410709,
"volume": 293.9735074894506,
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"formula_full": "K4 Zn2 Se4",
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"spacegroup": 72
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{
"id": "jvasp-106305",
"created_at": "2022-09-04T14:38:13.945417Z",
"updated_at": "2022-09-04T14:38:13.945442Z",
"structure_string": "Tm1 Mn2 Si2\n1.0\n3.643609 -0.007453 -4.538595\n-0.456562 3.614899 -4.538595\n0.006584 0.007453 5.820197\nTm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500001 Mn\n0.250000 0.750000 0.500001 Mn\n0.380765 0.380765 0.000001 Si\n0.619236 0.619236 0.000002 Si\n",
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{
"id": "jvasp-17379",
"created_at": "2022-09-04T14:38:28.858738Z",
"updated_at": "2022-09-04T14:38:28.858768Z",
"structure_string": "Yb1 Si2 Au2\n1.0\n4.087463 -0.000000 -1.603762\n-0.629254 4.038736 -1.603762\n-0.069306 -0.080940 5.834044\nYb Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.616608 0.616609 0.233216 Si\n0.383391 0.383392 0.766784 Si\n0.250000 0.750001 0.500000 Au\n0.749999 0.250000 0.500000 Au\n",
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{
"id": "jvasp-10018",
"created_at": "2022-09-04T14:38:19.205931Z",
"updated_at": "2022-09-04T14:38:19.205956Z",
"structure_string": "K4 Si2 As4\n1.0\n5.892831 0.000000 -2.510670\n-1.283723 6.144994 -3.013044\n-0.008131 0.050074 8.151825\nK Si As\n4 2 4\ndirect\n0.856346 0.018339 0.712693 K\n0.356347 0.694353 0.712694 K\n0.643653 0.305646 0.287307 K\n0.143654 0.981660 0.287307 K\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.602379 0.772262 0.204759 As\n0.102379 0.432496 0.204759 As\n0.897621 0.567503 0.795242 As\n0.397621 0.227737 0.795242 As\n",
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{
"id": "jvasp-26772",
"created_at": "2022-09-04T14:38:14.741582Z",
"updated_at": "2022-09-04T14:38:14.741617Z",
"structure_string": "Rb16 Zn8 O16\n1.0\n0.000000 9.570366 0.091825\n6.338679 0.000000 0.000000\n0.000000 -7.784902 -14.051340\nRb Zn O\n16 8 16\ndirect\n0.683821 0.583240 0.762041 Rb\n0.683821 0.916760 0.262041 Rb\n0.564856 0.437374 0.119768 Rb\n0.860511 0.822785 0.528272 Rb\n0.922858 0.138495 0.163937 Rb\n0.316179 0.083240 0.737958 Rb\n0.860511 0.677215 0.028272 Rb\n0.564856 0.062626 0.619768 Rb\n0.435144 0.937374 0.380231 Rb\n0.435144 0.562626 0.880231 Rb\n0.316179 0.416760 0.237958 Rb\n0.139490 0.322785 0.971727 Rb\n0.077142 0.861505 0.836062 Rb\n0.077142 0.638495 0.336062 Rb\n0.922859 0.361505 0.663937 Rb\n0.139489 0.177215 0.471727 Rb\n0.412316 0.946826 0.040193 Zn\n0.758087 0.377641 0.368392 Zn\n0.587685 0.053174 0.959807 Zn\n0.241913 0.622359 0.631608 Zn\n0.758087 0.122359 0.868392 Zn\n0.587685 0.446826 0.459807 Zn\n0.241913 0.877641 0.131608 Zn\n0.412316 0.553174 0.540193 Zn\n0.255076 0.778982 0.529429 O\n0.384906 0.106500 0.142493 O\n0.142002 0.689026 0.702159 O\n0.615095 0.893500 0.857507 O\n0.142002 0.810974 0.202159 O\n0.744924 0.278982 0.970571 O\n0.363121 0.134145 0.926695 O\n0.615095 0.606500 0.357507 O\n0.384906 0.393500 0.642493 O\n0.255076 0.721018 0.029429 O\n0.857999 0.310974 0.297841 O\n0.857999 0.189026 0.797841 O\n0.744924 0.221018 0.470571 O\n0.636880 0.865856 0.073305 O\n0.363120 0.365855 0.426695 O\n0.636880 0.634145 0.573305 O\n",
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{
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"created_at": "2022-09-04T14:38:13.797400Z",
"updated_at": "2022-09-04T14:38:13.797421Z",
"structure_string": "Y1 Mn2 Ge2\n1.0\n3.716219 -0.000000 -1.280573\n-0.441273 3.689928 -1.280573\n0.021536 0.024265 6.095012\nY Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250001 0.750000 0.500001 Mn\n0.750001 0.250000 0.500000 Mn\n0.619819 0.619818 0.239638 Ge\n0.380183 0.380181 0.760363 Ge\n",
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}
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}