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"id": "jvasp-109735",
"created_at": "2022-09-04T14:38:20.344640Z",
"updated_at": "2022-09-04T14:38:20.344662Z",
"structure_string": "In3 Sb1 Te4\n1.0\n6.603785 0.107792 -1.926484\n-3.689535 5.478040 -1.926484\n-0.056237 -0.107792 6.878819\nIn Sb Te\n3 1 4\ndirect\n0.500000 0.500000 0.000001 In\n0.500000 0.000000 0.500000 In\n-0.000001 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.945890 0.445890 0.891781 Te\n0.554110 0.054110 0.108220 Te\n0.054109 0.945890 0.500000 Te\n0.445890 0.554110 0.500001 Te\n",
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"structure_string": "Ba2 Te4\n1.0\n6.129686 -0.008792 -2.961734\n-3.714308 5.636225 -0.884240\n-0.005794 0.008792 6.807708\nBa Te\n2 4\ndirect\n0.000001 0.750000 0.750001 Ba\n0.000000 0.250000 0.250000 Ba\n0.223019 0.361509 0.861510 Te\n0.500001 0.861510 0.638492 Te\n0.776983 0.638492 0.138492 Te\n0.500001 0.138491 0.361510 Te\n",
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{
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"created_at": "2022-09-04T14:36:43.809681Z",
"updated_at": "2022-09-04T14:36:43.809699Z",
"structure_string": "Lu1 Al1 Ag2\n1.0\n0.000000 3.362082 3.362082\n3.362082 0.000000 3.362082\n3.362082 3.362082 -0.000000\nLu Al Ag\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Lu\n0.250001 0.250001 0.250001 Al\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"spacegroup": 225
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{
"id": "jvasp-93205",
"created_at": "2022-09-04T14:36:14.633556Z",
"updated_at": "2022-09-04T14:36:14.633588Z",
"structure_string": "Li1 Mg6 W1\n1.0\n6.098512 0.000576 0.000000\n-3.048757 5.281753 0.000000\n0.000000 0.000000 4.904422\nLi Mg W\n1 6 1\ndirect\n0.083385 0.416615 0.250000 Li\n0.104594 0.927272 0.250000 Mg\n0.572727 0.395406 0.250000 Mg\n0.572739 0.927260 0.250000 Mg\n0.415272 0.582679 0.750000 Mg\n0.917321 0.084728 0.750000 Mg\n0.917318 0.582682 0.750000 Mg\n0.416641 0.083359 0.750000 W\n",
"nsites": 8,
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"elements": [
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"volume": 157.98413573786272,
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"formula_full": "Li1 Mg6 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-106504",
"created_at": "2022-09-04T14:36:50.159756Z",
"updated_at": "2022-09-04T14:36:50.159767Z",
"structure_string": "Ce1 Pr1 Mg2\n1.0\n4.733483 0.000000 2.732878\n1.577828 4.462771 2.732878\n0.000000 0.000000 5.465756\nCe Pr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ce\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 4.740727283187243,
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"volume": 115.46109294921274,
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"formula_full": "Ce1 Pr1 Mg2",
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{
"id": "jvasp-51762",
"created_at": "2022-09-04T14:37:03.421335Z",
"updated_at": "2022-09-04T14:37:03.421362Z",
"structure_string": "Sr4 H4 I4 O4\n1.0\n4.245796 -0.000000 0.000000\n-0.000000 7.710893 0.000000\n0.000000 0.000000 10.748293\nSr H I O\n4 4 4 4\ndirect\n0.750001 0.320864 0.419355 Sr\n0.750001 0.820863 0.080645 Sr\n0.250000 0.679136 0.580645 Sr\n0.250000 0.179136 0.919354 Sr\n0.750001 0.221968 0.099325 H\n0.750001 0.721968 0.400675 H\n0.250000 0.778031 0.900675 H\n0.250000 0.278032 0.599325 H\n0.250000 0.473832 0.179513 I\n0.250000 0.973832 0.320487 I\n0.750001 0.526168 0.820486 I\n0.750001 0.026168 0.679513 I\n0.750001 0.134426 0.033507 O\n0.750001 0.634425 0.466493 O\n0.250000 0.865574 0.966493 O\n0.250000 0.365574 0.533507 O\n",
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"volume": 351.88706028428555,
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{
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"created_at": "2022-09-04T14:38:17.095363Z",
"updated_at": "2022-09-04T14:38:17.095389Z",
"structure_string": "Ga3 Ni5\n1.0\n3.751872 0.000000 0.000000\n0.000000 5.034511 -0.578577\n0.000000 -0.004349 5.067646\nGa Ni\n3 5\ndirect\n0.500000 0.716169 0.283831 Ga\n0.500000 0.283831 0.716169 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.777546 0.777546 Ni\n0.500000 0.222454 0.222454 Ni\n0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 -0.000000 Ni\n",
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"volume": 95.71251822337585,
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"formula_full": "Ga3 Ni5",
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"spacegroup": 65
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{
"id": "jvasp-25137",
"created_at": "2022-09-04T14:38:16.712108Z",
"updated_at": "2022-09-04T14:38:16.712127Z",
"structure_string": "Se1\n1.0\n2.831476 -0.000000 -1.001078\n-1.415739 2.452131 -1.001078\n0.000000 0.000000 3.003234\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
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"formula_full": "Se1",
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},
{
"id": "jvasp-14602",
"created_at": "2022-09-04T14:36:42.478957Z",
"updated_at": "2022-09-04T14:36:42.478984Z",
"structure_string": "Se1\n1.0\n2.831476 -0.000000 -1.001078\n-1.415739 2.452131 -1.001078\n0.000000 0.000000 3.003234\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-114348",
"created_at": "2022-09-04T14:38:40.799882Z",
"updated_at": "2022-09-04T14:38:40.799890Z",
"structure_string": "Mg3 N1\n1.0\n4.197398 0.363250 -0.665749\n2.615148 -5.601776 -0.214735\n-0.263439 -1.854677 -2.657191\nMg N\n3 1\ndirect\n0.131218 0.061018 0.004471 Mg\n0.487533 0.348423 0.225366 Mg\n0.843824 0.635948 0.446179 Mg\n-0.012461 0.348469 0.225351 N\n",
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"formula_full": "Mg3 N1",
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"spacegroup": 65
},
{
"id": "jvasp-5260",
"created_at": "2022-09-04T14:36:16.117003Z",
"updated_at": "2022-09-04T14:36:16.117023Z",
"structure_string": "Bi4 Te2 I2\n1.0\n-4.436076 0.014849 0.252609\n2.208633 3.821718 -0.513482\n1.182046 -0.563012 -18.262738\nBi Te I\n4 2 2\ndirect\n0.558535 0.442444 0.674913 Bi\n0.441466 0.557558 0.325087 Bi\n0.317762 0.682138 0.953356 Bi\n0.682240 0.317864 0.046644 Bi\n0.806141 0.193251 0.418884 Te\n0.193861 0.806751 0.581116 Te\n0.069473 0.929401 0.209397 I\n0.930528 0.070601 0.790603 I\n",
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{
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"created_at": "2022-09-04T14:35:55.016920Z",
"updated_at": "2022-09-04T14:35:55.016946Z",
"structure_string": "Ca1 Be1 Pb1\n1.0\n-1.750994 1.750994 5.711014\n1.750994 -1.750994 5.711014\n1.750994 1.750994 -5.711014\nCa Be Pb\n1 1 1\ndirect\n0.347199 0.347199 0.000000 Ca\n0.015977 0.015977 0.000000 Be\n0.636823 0.636823 0.000000 Pb\n",
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