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"id": "jvasp-24630",
"created_at": "2022-09-04T14:37:18.607856Z",
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"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",
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{
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"structure_string": "Ni3 Bi2 S2\n1.0\n4.927173 -0.039549 2.495515\n1.516402 4.688190 2.495515\n-0.054820 -0.039549 5.522827\nNi Bi S\n3 2 2\ndirect\n0.000000 -0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.727102 0.727103 0.727103 S\n0.272897 0.272897 0.272897 S\n",
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{
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"updated_at": "2022-09-04T14:36:55.366749Z",
"structure_string": "Ba3 Al2 Si2\n1.0\n4.223592 0.000000 -0.878190\n-0.261835 4.954365 -1.259275\n-0.007769 0.039503 10.558266\nBa Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ba\n0.814141 0.814187 0.628281 Ba\n0.185859 0.185812 0.371719 Ba\n0.065583 0.565547 0.131165 Al\n0.934417 0.434451 0.868835 Al\n0.634360 0.634293 0.268719 Si\n0.365640 0.365706 0.731281 Si\n",
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"formula_full": "Ba3 Al2 Si2",
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"spacegroup": 71
},
{
"id": "jvasp-49856",
"created_at": "2022-09-04T14:36:54.243676Z",
"updated_at": "2022-09-04T14:36:54.243712Z",
"structure_string": "K4 Be4 O6\n1.0\n0.000000 4.968961 -0.002447\n7.950325 0.000000 0.000000\n0.000000 -2.727981 -5.656789\nK Be O\n4 4 6\ndirect\n0.216673 0.351025 0.929705 K\n0.216673 0.148976 0.429705 K\n0.783328 0.851025 0.570295 K\n0.783327 0.648976 0.070295 K\n0.304316 0.513117 0.505780 Be\n0.695684 0.013117 0.994221 Be\n0.304316 0.986883 0.005780 Be\n0.695684 0.486883 0.494221 Be\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.392487 0.939896 0.799384 O\n0.607513 0.439896 0.700617 O\n0.392487 0.560105 0.299383 O\n0.607513 0.060104 0.200617 O\n",
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"elements": [
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"volume": 223.52369978887234,
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"formula_full": "K4 Be4 O6",
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{
"id": "jvasp-16126",
"created_at": "2022-09-04T14:36:43.665258Z",
"updated_at": "2022-09-04T14:36:43.665276Z",
"structure_string": "Y2 Al3 Si2\n1.0\n4.060429 0.000000 -0.000000\n-2.030214 5.022469 -0.996421\n-0.000000 0.022390 6.661954\nY Al Si\n2 3 2\ndirect\n0.380403 0.760804 0.678825 Y\n0.619598 0.239196 0.321175 Y\n0.694599 0.389197 0.866233 Al\n0.000000 0.000000 0.000000 Al\n0.305402 0.610803 0.133767 Al\n0.906576 0.813148 0.360822 Si\n0.093426 0.186852 0.639178 Si\n",
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{
"id": "jvasp-15595",
"created_at": "2022-09-04T14:35:45.993805Z",
"updated_at": "2022-09-04T14:35:45.993822Z",
"structure_string": "Ni3 Sn2 S2\n1.0\n4.767659 -0.028582 2.637539\n1.542023 4.511491 2.637539\n-0.040230 -0.028582 5.448446\nNi Sn S\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500001 Ni\n0.500000 0.000001 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500001 Sn\n0.220889 0.220890 0.220890 S\n0.779110 0.779111 0.779111 S\n",
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{
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"created_at": "2022-09-04T14:35:55.873193Z",
"updated_at": "2022-09-04T14:35:55.873223Z",
"structure_string": "In2 Rh3 S2\n1.0\n2.839945 1.639644 4.570413\n-2.839945 1.639644 4.570413\n-0.000000 -3.279286 4.570413\nIn Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.499999 0.500001 In\n-0.000000 -0.000000 0.500000 Rh\n-0.000001 0.500000 0.000000 Rh\n0.500000 -0.000001 0.000000 Rh\n0.714945 0.714945 0.714947 S\n0.285054 0.285054 0.285055 S\n",
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"spacegroup": 166
},
{
"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",
"nsites": 7,
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{
"id": "jvasp-85901",
"created_at": "2022-09-04T14:35:56.200132Z",
"updated_at": "2022-09-04T14:35:56.200161Z",
"structure_string": "Tb2 Al3 Si2\n1.0\n4.070173 0.000000 -0.000000\n-2.035087 5.034654 -0.989127\n-0.000000 0.001462 6.663214\nTb Al Si\n2 3 2\ndirect\n0.380363 0.760727 0.678554 Tb\n0.619635 0.239272 0.321445 Tb\n0.694600 0.389200 0.866200 Al\n0.000000 0.000000 0.000000 Al\n0.305398 0.610799 0.133799 Al\n0.906700 0.813403 0.360611 Si\n0.093298 0.186595 0.639387 Si\n",
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{
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"structure_string": "In2 Co3 S2\n1.0\n4.651979 -0.011367 2.900037\n1.603879 4.366761 2.900037\n-0.016327 -0.011367 5.481866\nIn Co S\n2 3 2\ndirect\n0.500000 0.499999 0.500001 In\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 0.000000 Co\n-0.000000 -0.000000 0.500001 Co\n0.000000 0.500000 0.000000 Co\n0.277890 0.277889 0.277890 S\n0.722110 0.722109 0.722112 S\n",
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{
"id": "jvasp-12474",
"created_at": "2022-09-04T14:38:33.289106Z",
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"structure_string": "Hg6 Cl4 O4\n1.0\n0.000000 6.376379 -0.002578\n7.039711 0.000000 0.000000\n0.000000 -2.752960 -6.337338\nHg Cl O\n6 4 4\ndirect\n0.417201 0.865823 0.757809 Hg\n0.582799 0.365823 0.742192 Hg\n0.582799 0.134177 0.242192 Hg\n0.417201 0.634177 0.257809 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.788076 0.627250 0.049993 Cl\n0.211925 0.127250 0.450007 Cl\n0.788076 0.872750 0.549993 Cl\n0.211925 0.372750 0.950007 Cl\n0.329455 0.605015 0.561922 O\n0.670545 0.105015 0.938079 O\n0.670545 0.394985 0.438079 O\n0.329455 0.894985 0.061922 O\n",
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{
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"structure_string": "U3 Si2 C2\n1.0\n3.596336 -0.000000 -0.668751\n-0.124357 3.594185 -0.668751\n-0.207040 -0.214328 8.890968\nU Si C\n3 2 2\ndirect\n0.826377 0.826378 0.652754 U\n0.173623 0.173623 0.347246 U\n0.000000 0.000000 0.000000 U\n0.584151 0.584151 0.168302 Si\n0.415849 0.415849 0.831699 Si\n0.695380 0.695380 0.390759 C\n0.304621 0.304621 0.609242 C\n",
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