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{
"id": "jvasp-87104",
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"updated_at": "2022-09-04T14:35:53.217633Z",
"structure_string": "Na4 Li4 Te4\n1.0\n4.572198 0.000000 0.000000\n0.000000 7.677893 0.000000\n0.000000 0.000000 8.308570\nNa Li Te\n4 4 4\ndirect\n0.750000 0.484718 0.684298 Na\n0.250000 0.015282 0.184298 Na\n0.750000 0.984717 0.815702 Na\n0.250000 0.515282 0.315702 Na\n0.250000 0.642526 0.928876 Li\n0.250000 0.142527 0.571124 Li\n0.750000 0.357473 0.071124 Li\n0.750000 0.857473 0.428876 Li\n0.250000 0.774558 0.608270 Te\n0.250000 0.274558 0.891730 Te\n0.750000 0.725442 0.108270 Te\n0.750000 0.225442 0.391730 Te\n",
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{
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{
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"created_at": "2022-09-04T14:36:07.886452Z",
"updated_at": "2022-09-04T14:36:07.886465Z",
"structure_string": "Dy2 Co2 Si4\n1.0\n3.987337 0.000000 0.000000\n-0.000000 3.914080 -0.962055\n0.000000 -0.011659 8.395721\nDy Co Si\n2 2 4\ndirect\n0.250000 0.892359 0.784717 Dy\n0.750001 0.107641 0.215283 Dy\n0.250000 0.679089 0.358177 Co\n0.750001 0.320911 0.641822 Co\n0.750001 0.750103 0.500206 Si\n0.250000 0.249897 0.499794 Si\n0.750001 0.457178 0.914356 Si\n0.250000 0.542822 0.085643 Si\n",
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"formula_full": "Dy2 Co2 Si4",
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{
"id": "jvasp-87101",
"created_at": "2022-09-04T14:36:01.217692Z",
"updated_at": "2022-09-04T14:36:01.217722Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604880 -0.042952 0.101854\n0.166315 6.603058 0.105754\n0.024172 0.018570 6.605994\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.562898 0.417871 0.230213 Mo\n0.582125 0.769813 0.437082 Mo\n0.417875 0.230187 0.562916 Mo\n0.769794 0.437117 0.582100 Mo\n0.230207 0.562884 0.417898 Mo\n0.437103 0.582129 0.769785 Mo\n0.257345 0.875429 0.616708 S\n0.742656 0.124572 0.383291 S\n0.616671 0.257356 0.875423 S\n0.383330 0.742644 0.124575 S\n0.754655 0.754700 0.754583 S\n0.245346 0.245301 0.245415 S\n0.875452 0.616680 0.257323 S\n0.124548 0.383320 0.742675 S\n",
"nsites": 15,
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"elements": [
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"density": 5.300995747869039,
"density_atomic": 0.052061377567778455,
"volume": 288.12145780183346,
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{
"id": "jvasp-87100",
"created_at": "2022-09-04T14:35:55.872810Z",
"updated_at": "2022-09-04T14:35:55.872835Z",
"structure_string": "K4 Te2 O6\n1.0\n6.302702 0.000000 0.000000\n-3.151351 5.458300 -0.000000\n-0.000000 0.000000 6.979915\nK Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.616305 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.383694 K\n0.666667 0.333333 0.866491 Te\n0.333333 0.666667 0.133509 Te\n0.901454 0.280204 0.740792 O\n0.378750 0.098546 0.740792 O\n0.719796 0.621250 0.740792 O\n0.098546 0.719796 0.259207 O\n0.280204 0.378750 0.259207 O\n0.621250 0.901454 0.259207 O\n",
"nsites": 12,
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"elements": [
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"formula_full": "K4 Te2 O6",
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{
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"created_at": "2022-09-04T14:36:51.796912Z",
"updated_at": "2022-09-04T14:36:51.796939Z",
"structure_string": "Ba4 Cu4\n1.0\n2.239961 -3.879726 -0.000000\n2.239961 3.879726 0.000000\n-0.000000 0.000000 16.229911\nBa Cu\n4 4\ndirect\n0.333333 0.666667 0.878342 Ba\n0.666667 0.333333 0.378342 Ba\n0.666667 0.333333 0.121658 Ba\n0.333333 0.666667 0.621658 Ba\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
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{
"id": "jvasp-87099",
"created_at": "2022-09-04T14:35:48.306337Z",
"updated_at": "2022-09-04T14:35:48.306361Z",
"structure_string": "As2 F10\n1.0\n5.683735 -0.000000 -0.000000\n-2.841868 4.922259 0.000000\n-0.000000 0.000000 6.242007\nAs F\n2 10\ndirect\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n0.333333 0.666667 0.530789 F\n0.666667 0.333333 0.030789 F\n0.159386 0.318772 0.250000 F\n0.840615 0.159386 0.750000 F\n0.318772 0.159386 0.750000 F\n0.681228 0.840615 0.250000 F\n0.159385 0.840615 0.250000 F\n0.840615 0.681228 0.750000 F\n0.333333 0.666667 0.969212 F\n0.666667 0.333333 0.469211 F\n",
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"elements": [
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"density_atomic": 0.06871613304814377,
"volume": 174.63147979518266,
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"formula_full": "As2 F10",
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{
"id": "jvasp-87098",
"created_at": "2022-09-04T14:35:42.828701Z",
"updated_at": "2022-09-04T14:35:42.828730Z",
"structure_string": "Rb4 Mn2 Te4\n1.0\n6.508175 -0.000000 -2.765329\n-1.382793 6.720078 -3.254393\n-0.029653 0.048206 8.971342\nRb Mn Te\n4 2 4\ndirect\n0.144397 0.469688 0.288794 Rb\n0.644398 0.819106 0.288794 Rb\n0.855605 0.530313 0.711207 Rb\n0.355604 0.180895 0.711207 Rb\n0.750001 0.000000 0.000000 Mn\n0.250000 0.000000 0.000000 Mn\n0.894939 0.087063 0.789876 Te\n0.105063 0.912938 0.210125 Te\n0.605063 0.297187 0.210125 Te\n0.394939 0.702814 0.789876 Te\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.065145524099428,
"density_atomic": 0.025444003032499104,
"volume": 393.01991857284423,
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"formula_full": "Rb4 Mn2 Te4",
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},
{
"id": "jvasp-87097",
"created_at": "2022-09-04T14:36:17.876629Z",
"updated_at": "2022-09-04T14:36:17.876658Z",
"structure_string": "K4 Mn2 Te4\n1.0\n6.356351 -0.000000 -2.736488\n-1.364141 6.507033 -3.168646\n-0.026534 0.057564 8.688917\nK Mn Te\n4 2 4\ndirect\n0.143189 0.465516 0.286378 K\n0.856811 0.534483 0.713622 K\n0.356811 0.179138 0.713622 K\n0.643189 0.820861 0.286377 K\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.890982 0.092323 0.781963 Te\n0.109019 0.907676 0.218036 Te\n0.609018 0.310361 0.218036 Te\n0.390982 0.689638 0.781963 Te\n",
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{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
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"volume": 328.50628464210024,
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"formula_full": "Rb4 Mn2 Se4",
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"spacegroup": 72
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{
"id": "jvasp-87095",
"created_at": "2022-09-04T14:36:03.438204Z",
"updated_at": "2022-09-04T14:36:03.438235Z",
"structure_string": "K4 Mn2 Se4\n1.0\n5.960919 0.000000 -2.556911\n-1.321745 6.172864 -3.081379\n-0.035866 0.060221 8.143180\nK Mn Se\n4 2 4\ndirect\n0.145863 0.479975 0.291725 K\n0.854137 0.520024 0.708275 K\n0.354137 0.188249 0.708275 K\n0.645863 0.811750 0.291725 K\n0.250000 -0.000000 0.000000 Mn\n0.750000 -0.000000 0.000000 Mn\n0.893830 0.092212 0.787662 Se\n0.106170 0.907787 0.212337 Se\n0.606169 0.304550 0.212338 Se\n0.393831 0.695449 0.787662 Se\n",
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"formula_full": "K4 Mn2 Se4",
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{
"id": "jvasp-87094",
"created_at": "2022-09-04T14:35:59.762664Z",
"updated_at": "2022-09-04T14:35:59.762689Z",
"structure_string": "Rb4 Mn2 S4\n1.0\n5.859638 0.000000 -2.468218\n-1.298522 6.174194 -3.082737\n-0.034271 0.047948 8.108244\nRb Mn S\n4 2 4\ndirect\n0.648581 0.807370 0.297162 Rb\n0.351420 0.192629 0.702837 Rb\n0.851420 0.510208 0.702837 Rb\n0.148581 0.489792 0.297162 Rb\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.400206 0.714554 0.800410 S\n0.599795 0.285446 0.199589 S\n0.099795 0.914144 0.199589 S\n0.900206 0.085856 0.800410 S\n",
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}