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{
"id": "jvasp-15342",
"created_at": "2022-09-04T14:36:59.143658Z",
"updated_at": "2022-09-04T14:36:59.143687Z",
"structure_string": "K2 Mn2 Sb2\n1.0\n4.634861 0.000000 0.000000\n0.000000 4.634861 0.000000\n0.000000 0.000000 8.133209\nK Mn Sb\n2 2 2\ndirect\n0.000000 0.500000 0.650983 K\n0.500000 0.000000 0.349017 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.189797 Sb\n0.500000 0.000000 0.810203 Sb\n",
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{
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"structure_string": "Cu1 Ni3 O4\n1.0\n0.000000 2.037386 2.037386\n-4.533848 2.028201 -2.028201\n-4.533848 -2.028201 2.028201\nCu Ni O\n1 3 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500001 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.784576 0.784576 O\n0.500001 0.745041 0.254959 O\n0.500001 0.254959 0.745041 O\n0.000000 0.215424 0.215424 O\n",
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{
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"structure_string": "Nb6 Sn2 H2\n1.0\n5.400679 0.001389 0.000000\n-0.019697 5.400643 0.000000\n-0.000000 0.000000 5.378922\nNb Sn H\n6 2 2\ndirect\n0.253106 0.508951 0.250000 Nb\n0.990000 0.990000 -0.000000 Nb\n0.508952 0.253106 0.750000 Nb\n0.745530 0.512000 0.250000 Nb\n0.990000 0.990000 0.500000 Nb\n0.512000 0.745529 0.750000 Nb\n0.496662 0.003974 0.250000 Sn\n0.003974 0.496662 0.750000 Sn\n0.997738 0.252039 0.250000 H\n0.252039 0.997737 0.750000 H\n",
"nsites": 10,
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"volume": 156.8879140794372,
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"formula_full": "Nb6 Sn2 H2",
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{
"id": "jvasp-1690",
"created_at": "2022-09-04T14:36:59.170618Z",
"updated_at": "2022-09-04T14:36:59.170637Z",
"structure_string": "Na1 Y1 S2\n1.0\n3.800026 -0.005416 5.866790\n1.729983 3.383399 5.866790\n-0.008867 -0.005416 6.989946\nNa Y S\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.256774 0.256773 0.256774 S\n0.743226 0.743225 0.743227 S\n",
"nsites": 4,
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"spacegroup": 166
},
{
"id": "jvasp-13003",
"created_at": "2022-09-04T14:36:59.174874Z",
"updated_at": "2022-09-04T14:36:59.174896Z",
"structure_string": "In4 Te4 Br4\n1.0\n0.000000 7.359307 0.166094\n7.652814 0.000000 0.000000\n0.000000 -3.851957 -7.598106\nIn Te Br\n4 4 4\ndirect\n0.977251 0.700797 0.117005 In\n0.022749 0.200797 0.382996 In\n0.022749 0.299203 0.882996 In\n0.977251 0.799203 0.617005 In\n0.225183 0.869622 0.444199 Te\n0.774818 0.369623 0.055802 Te\n0.774817 0.130377 0.555802 Te\n0.225183 0.630377 0.944199 Te\n0.678562 0.903687 0.912473 Br\n0.321439 0.403687 0.587529 Br\n0.321439 0.096313 0.087528 Br\n0.678562 0.596313 0.412472 Br\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.060965238156297,
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"formula_full": "In4 Te4 Br4",
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"spacegroup": 14
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{
"id": "jvasp-59576",
"created_at": "2022-09-04T14:36:59.185481Z",
"updated_at": "2022-09-04T14:36:59.185502Z",
"structure_string": "Sr3 Mn2 O7\n1.0\n3.764384 0.000000 -0.698612\n-0.129652 3.762150 -0.698612\n-0.013150 -0.013610 10.420414\nSr Mn O\n3 2 7\ndirect\n0.499999 0.500000 0.000000 Sr\n0.316991 0.316993 0.633983 Sr\n0.683009 0.683007 0.366015 Sr\n0.097037 0.097037 0.194074 Mn\n0.902962 0.902963 0.805926 Mn\n0.904502 0.404504 0.809007 O\n0.404504 0.904504 0.809007 O\n0.095498 0.595496 0.190993 O\n0.595496 0.095496 0.190993 O\n0.807985 0.807987 0.615972 O\n0.000000 0.000000 0.000000 O\n0.192013 0.192013 0.384028 O\n",
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"elements": [
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"density": 5.456905226179124,
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"formula_anonymous": "A2B3C7",
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{
"id": "jvasp-51210",
"created_at": "2022-09-04T14:36:59.206855Z",
"updated_at": "2022-09-04T14:36:59.206880Z",
"structure_string": "Ta2 Cd1 Bi1\n1.0\n0.000000 3.504027 3.504027\n3.504027 -0.000000 3.504027\n3.504027 3.504027 -0.000000\nTa Cd Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750001 0.750001 0.750001 Ta\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
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{
"id": "jvasp-28429",
"created_at": "2022-09-04T14:36:59.209392Z",
"updated_at": "2022-09-04T14:36:59.209407Z",
"structure_string": "Tb2 Ga2 I2\n1.0\n-2.094277 -3.627394 -0.000000\n-2.094277 3.627394 0.000000\n-0.000000 0.000000 -11.453060\nTb Ga I\n2 2 2\ndirect\n0.000000 0.000000 0.824014 Tb\n0.000000 0.000000 0.175986 Tb\n0.666668 0.333334 0.968645 Ga\n0.333334 0.666668 0.031355 Ga\n0.666668 0.333334 0.350869 I\n0.333334 0.666668 0.649131 I\n",
"nsites": 6,
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},
{
"id": "jvasp-13418",
"created_at": "2022-09-04T14:36:59.201632Z",
"updated_at": "2022-09-04T14:36:59.201648Z",
"structure_string": "K4 Si4 H12\n1.0\n5.322809 0.000000 0.000000\n-0.000000 6.802914 0.000000\n0.000000 0.000000 8.753094\nK Si H\n4 4 12\ndirect\n0.250000 0.346356 0.687110 K\n0.750000 0.653644 0.312889 K\n0.750000 0.846356 0.812889 K\n0.250000 0.153644 0.187111 K\n0.250000 0.846987 0.547229 Si\n0.750000 0.153013 0.452770 Si\n0.750000 0.346987 0.952770 Si\n0.250000 0.653013 0.047229 Si\n0.750000 0.303217 0.126651 H\n0.250000 0.696782 0.873349 H\n0.462436 0.805954 0.080452 H\n0.962436 0.194045 0.919547 H\n0.537564 0.305955 0.419547 H\n0.462436 0.694045 0.580452 H\n0.537564 0.194045 0.919547 H\n0.037564 0.805954 0.080452 H\n0.750000 0.196782 0.626651 H\n0.962436 0.305955 0.419547 H\n0.037564 0.694045 0.580452 H\n0.250000 0.803217 0.373349 H\n",
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{
"id": "jvasp-105474",
"created_at": "2022-09-04T14:36:59.233697Z",
"updated_at": "2022-09-04T14:36:59.233720Z",
"structure_string": "K2 Br1 Cl1\n1.0\n4.337586 0.000688 6.553259\n1.972849 3.862968 6.553259\n0.001125 0.000688 7.858744\nK Br Cl\n2 1 1\ndirect\n0.254184 0.254185 0.254184 K\n0.745816 0.745817 0.745815 K\n0.500000 0.500001 0.499999 Br\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:59.318604Z",
"updated_at": "2022-09-04T14:36:59.318613Z",
"structure_string": "U2 Ni2 Ge2\n1.0\n4.305530 0.026228 3.154762\n2.309780 3.633619 3.154762\n0.003235 0.001790 6.696274\nU Ni Ge\n2 2 2\ndirect\n0.441944 0.441944 0.331673 U\n0.558057 0.558057 0.668325 U\n0.837940 0.837940 0.712237 Ni\n0.162060 0.162060 0.287762 Ni\n0.163789 0.163789 0.904473 Ge\n0.836211 0.836212 0.095525 Ge\n",
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{
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"updated_at": "2022-09-04T14:36:59.357420Z",
"structure_string": "Er2 Ag1 Hg1\n1.0\n4.438180 -0.000000 2.562385\n1.479393 4.184357 2.562385\n-0.000000 -0.000000 5.124769\nEr Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.499999 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Hg\n",
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