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{
"id": "jvasp-50278",
"created_at": "2022-09-04T14:37:05.099085Z",
"updated_at": "2022-09-04T14:37:05.099103Z",
"structure_string": "Na4 Be4 O6\n1.0\n0.000000 4.974246 0.011575\n6.843437 0.000000 0.000000\n0.000000 -1.861569 -5.486768\nNa Be O\n4 4 6\ndirect\n0.251418 0.367178 0.888765 Na\n0.748583 0.867179 0.611235 Na\n0.251418 0.132822 0.388764 Na\n0.748583 0.632822 0.111235 Na\n0.298672 0.521580 0.490993 Be\n0.298672 0.978420 0.990994 Be\n0.701328 0.021580 0.009006 Be\n0.701328 0.478420 0.509006 Be\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.419402 0.054864 0.787409 O\n0.580599 0.554865 0.712591 O\n0.419402 0.445136 0.287409 O\n0.580599 0.945136 0.212590 O\n",
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{
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"structure_string": "Er2 Mo2 C3\n1.0\n3.194594 0.000000 -0.912013\n-0.568730 5.280676 -1.992145\n-0.004899 -0.016802 6.033845\nEr Mo C\n2 2 3\ndirect\n0.389553 0.174041 0.779108 Er\n0.610446 0.825960 0.220895 Er\n0.155766 0.327285 0.311533 Mo\n0.844233 0.672716 0.688469 Mo\n0.751631 0.263757 0.503265 C\n0.248367 0.736244 0.496738 C\n0.000000 0.000000 0.000000 C\n",
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"spacegroup": 12
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{
"id": "jvasp-15728",
"created_at": "2022-09-04T14:37:16.111441Z",
"updated_at": "2022-09-04T14:37:16.111467Z",
"structure_string": "Sr3 Al2 Si2\n1.0\n4.126266 -0.000000 -0.857079\n-0.241644 4.676666 -1.163358\n-0.048318 0.027786 10.128538\nSr Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Sr\n0.814573 0.814573 0.629145 Sr\n0.185429 0.185429 0.370856 Sr\n0.066993 0.566993 0.133986 Al\n0.933009 0.433009 0.866014 Al\n0.640085 0.640084 0.280168 Si\n0.359917 0.359917 0.719832 Si\n",
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"spacegroup": 71
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{
"id": "jvasp-15189",
"created_at": "2022-09-04T14:35:51.266269Z",
"updated_at": "2022-09-04T14:35:51.266277Z",
"structure_string": "Ho2 Al3 Si2\n1.0\n4.044649 0.000000 0.000000\n-2.022324 4.994999 -0.953945\n0.000000 0.002009 6.624686\nHo Al Si\n2 3 2\ndirect\n0.380687 0.761372 0.678436 Ho\n0.619315 0.238628 0.321566 Ho\n0.694956 0.389909 0.866331 Al\n0.000000 0.000000 0.000000 Al\n0.305046 0.610091 0.133670 Al\n0.905960 0.811918 0.361376 Si\n0.094041 0.188082 0.638626 Si\n",
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"elements": [
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],
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{
"id": "jvasp-35387",
"created_at": "2022-09-04T14:37:51.185066Z",
"updated_at": "2022-09-04T14:37:51.185077Z",
"structure_string": "Tm2 Cr2 C3\n1.0\n0.000000 3.322655 -0.000000\n0.026613 -0.000000 5.480386\n4.987255 -1.661328 -1.475923\nTm Cr C\n2 2 3\ndirect\n0.607445 0.316263 0.214891 Tm\n0.392553 0.683739 0.785109 Tm\n0.844539 0.114388 0.689083 Cr\n0.155459 0.885614 0.310917 Cr\n0.282354 0.235179 0.564711 C\n0.717644 0.764822 0.435290 C\n0.000000 0.000000 0.000000 C\n",
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],
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"volume": 90.94559021187735,
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"formula_full": "Tm2 Cr2 C3",
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{
"id": "jvasp-17206",
"created_at": "2022-09-04T14:38:15.133287Z",
"updated_at": "2022-09-04T14:38:15.133300Z",
"structure_string": "Sm2 Mo2 C3\n1.0\n3.310803 -0.000000 -1.003513\n-0.475750 5.579537 -1.569601\n-0.007468 0.013873 5.938640\nSm Mo C\n2 2 3\ndirect\n0.389305 0.175184 0.778613 Sm\n0.610693 0.824816 0.221387 Sm\n0.152385 0.381578 0.304771 Mo\n0.847613 0.618422 0.695230 Mo\n-0.000000 0.500000 0.000000 C\n0.275246 0.733766 0.550492 C\n0.724753 0.266234 0.449508 C\n",
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{
"id": "jvasp-10263",
"created_at": "2022-09-04T14:38:32.118009Z",
"updated_at": "2022-09-04T14:38:32.118041Z",
"structure_string": "K4 Sn4 O6\n1.0\n6.827227 0.000000 -2.413789\n-3.413614 5.912552 -2.413789\n-0.000000 -0.000000 7.241368\nK Sn O\n4 4 6\ndirect\n0.474906 0.500000 -0.000000 K\n0.025095 0.025095 0.025095 K\n0.000000 0.474905 0.500000 K\n0.500000 0.000000 0.474906 K\n0.500000 -0.000000 0.002036 Sn\n0.000000 0.002036 0.500000 Sn\n0.497964 0.497964 0.497964 Sn\n0.002036 0.500000 -0.000000 Sn\n0.750001 0.975586 0.225587 O\n0.250000 0.524413 0.274413 O\n0.975587 0.225587 0.750000 O\n0.225587 0.750000 0.975587 O\n0.274414 0.250000 0.524414 O\n0.524414 0.274413 0.250000 O\n",
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"elements": [
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"density": 4.131242705507656,
"density_atomic": 0.04789477096757769,
"volume": 292.30748403572665,
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"formula_full": "K4 Sn4 O6",
"formula_reduced": "K2Sn2O3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 199
},
{
"id": "jvasp-43060",
"created_at": "2022-09-04T14:38:07.689655Z",
"updated_at": "2022-09-04T14:38:07.689683Z",
"structure_string": "Na4 Co4 O6\n1.0\n0.000000 5.724506 0.007727\n5.587556 0.000000 0.000000\n0.000000 -2.837232 -5.384052\nNa Co O\n4 4 6\ndirect\n0.140885 0.346882 0.892862 Na\n0.140885 0.153119 0.392862 Na\n0.859116 0.846882 0.607137 Na\n0.859116 0.653119 0.107137 Na\n0.345199 0.628736 0.591824 Co\n0.654801 0.128735 0.908174 Co\n0.345199 0.871265 0.091825 Co\n0.654801 0.371265 0.408174 Co\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.339766 0.925994 0.754508 O\n0.339766 0.574007 0.254509 O\n0.660234 0.425994 0.745490 O\n0.660234 0.074007 0.245491 O\n",
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"formula_full": "Na4 Co4 O6",
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{
"id": "jvasp-24630",
"created_at": "2022-09-04T14:37:18.607856Z",
"updated_at": "2022-09-04T14:37:18.607874Z",
"structure_string": "Hg6 Te4 Br4\n1.0\n7.917520 0.000000 -2.799266\n-3.958760 6.856773 -2.799266\n-0.000000 0.000000 8.397798\nHg Te Br\n6 4 4\ndirect\n0.750000 0.940242 0.190242 Hg\n0.309758 0.250000 0.559757 Hg\n0.559758 0.309757 0.250000 Hg\n0.190243 0.750000 0.940242 Hg\n0.940242 0.190243 0.750000 Hg\n0.250000 0.559757 0.309757 Hg\n0.941763 0.500000 -0.000001 Te\n0.500000 -0.000000 0.941763 Te\n0.558237 0.558237 0.558237 Te\n-0.000000 0.941762 0.499999 Te\n0.468120 0.500000 -0.000001 Br\n0.500000 -0.000000 0.468120 Br\n-0.000000 0.468120 0.500000 Br\n0.031880 0.031880 0.031880 Br\n",
"nsites": 14,
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"volume": 455.90501026939074,
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"formula_full": "Hg6 Te4 Br4",
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"spacegroup": 199
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{
"id": "jvasp-110280",
"created_at": "2022-09-04T14:38:37.106993Z",
"updated_at": "2022-09-04T14:38:37.107001Z",
"structure_string": "Bi2 Sb2 Te3\n1.0\n4.420726 0.021311 13.577788\n2.172392 3.850193 13.577788\n0.036293 0.021311 14.279280\nBi Sb Te\n2 2 3\ndirect\n0.853592 0.853590 0.853593 Bi\n0.146408 0.146408 0.146409 Bi\n0.712737 0.712735 0.712737 Sb\n0.287264 0.287263 0.287264 Sb\n0.580585 0.580583 0.580585 Te\n0.419416 0.419415 0.419416 Te\n0.000000 0.000000 0.000000 Te\n",
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"formula_full": "Bi2 Sb2 Te3",
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{
"id": "jvasp-94832",
"created_at": "2022-09-04T14:35:40.729984Z",
"updated_at": "2022-09-04T14:35:40.730010Z",
"structure_string": "Rh3 Pb2 Se2\n1.0\n2.910142 1.680171 4.898367\n-2.910142 1.680171 4.898367\n0.000000 -3.360342 4.898367\nRh Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.787895 0.787895 0.787895 Se\n0.212106 0.212106 0.212106 Se\n",
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{
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"created_at": "2022-09-04T14:36:15.206776Z",
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"structure_string": "Sn2 Rh3 S2\n1.0\n2.867166 1.655358 4.486672\n-2.867166 1.655358 4.486672\n-0.000000 -3.310718 4.486672\nSn Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n-0.000000 -0.000000 0.500000 Rh\n-0.000000 0.500000 -0.000000 Rh\n0.500000 -0.000000 -0.000000 Rh\n0.712359 0.712359 0.712358 S\n0.287641 0.287641 0.287641 S\n",
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