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{
"id": "jvasp-9179",
"created_at": "2022-09-04T14:37:13.909134Z",
"updated_at": "2022-09-04T14:37:13.909146Z",
"structure_string": "Sr8 Sn4\n1.0\n5.373053 -0.000000 0.000000\n-0.000000 8.309004 0.000000\n0.000000 0.000000 10.063290\nSr Sn\n8 4\ndirect\n0.250000 0.479296 0.182992 Sr\n0.750000 0.520703 0.817008 Sr\n0.250000 0.979296 0.317008 Sr\n0.750000 0.020703 0.682992 Sr\n0.750000 0.157914 0.074406 Sr\n0.250000 0.842085 0.925594 Sr\n0.750000 0.657914 0.425594 Sr\n0.250000 0.342085 0.574406 Sr\n0.250000 0.750459 0.605270 Sn\n0.750000 0.249541 0.394730 Sn\n0.250000 0.250459 0.894730 Sn\n0.750000 0.749540 0.105270 Sn\n",
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{
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"structure_string": "Tb3 Ce1\n1.0\n4.556405 0.020635 -4.049765\n-0.905544 4.465562 -4.049765\n-0.016793 -0.020635 6.095994\nTb Ce\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250001 0.750000 0.500001 Tb\n0.500000 0.499999 0.000000 Tb\n0.000000 0.000000 0.000000 Ce\n",
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{
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"updated_at": "2022-09-04T14:37:00.287929Z",
"structure_string": "Cr4 O4\n1.0\n2.965675 -0.104904 0.040680\n-2.831124 5.226093 2.956198\n-0.087132 -0.077582 6.007332\nCr O\n4 4\ndirect\n0.599986 0.500011 0.900002 Cr\n0.099990 0.500016 0.399998 Cr\n0.099987 0.000011 0.900002 Cr\n0.599988 0.000013 0.400000 Cr\n0.974822 0.374905 0.149985 O\n0.474828 0.874909 0.149984 O\n0.725159 0.125122 0.650013 O\n0.225156 0.625120 0.650014 O\n",
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"volume": 92.05749424663732,
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{
"id": "jvasp-36264",
"created_at": "2022-09-04T14:37:13.916456Z",
"updated_at": "2022-09-04T14:37:13.916481Z",
"structure_string": "Lu1 Cd2\n1.0\n2.453633 -4.249818 0.000000\n2.453633 4.249818 0.000000\n-0.000000 -0.000000 3.326885\nLu Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.333332 0.666666 0.499948 Cd\n0.666666 0.333332 0.500050 Cd\n",
"nsites": 3,
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"elements": [
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"density": 9.56824347161139,
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"volume": 69.38214468168685,
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{
"id": "jvasp-29748",
"created_at": "2022-09-04T14:37:06.445103Z",
"updated_at": "2022-09-04T14:37:06.445128Z",
"structure_string": "Bi4 Br12\n1.0\n6.763950 0.123816 0.000000\n-2.686117 7.598949 0.000000\n0.000000 0.000000 9.783985\nBi Br\n4 12\ndirect\n0.011738 0.139644 0.793829 Bi\n0.988262 0.360356 0.293829 Bi\n0.988262 0.860356 0.206171 Bi\n0.011737 0.639644 0.706171 Bi\n0.331191 0.958155 0.759667 Br\n0.668809 0.541845 0.259667 Br\n0.668809 0.041845 0.240332 Br\n0.774760 0.832096 0.586337 Br\n0.774760 0.332096 0.913662 Br\n0.331191 0.458155 0.740332 Br\n0.225240 0.167905 0.413663 Br\n0.216360 0.193418 0.056296 Br\n0.783640 0.306582 0.556296 Br\n0.216360 0.693419 0.443703 Br\n0.225240 0.667905 0.086337 Br\n0.783640 0.806582 0.943703 Br\n",
"nsites": 16,
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"elements": [
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"density": 5.888260182158157,
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"volume": 506.1401745419689,
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"spacegroup": 14
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{
"id": "jvasp-7703",
"created_at": "2022-09-04T14:37:06.426087Z",
"updated_at": "2022-09-04T14:37:06.426105Z",
"structure_string": "Ba2 Hg4\n1.0\n4.816780 -0.000000 2.071797\n2.186144 6.066920 1.552604\n0.001267 0.100427 6.632287\nBa Hg\n2 4\ndirect\n0.499017 0.250984 0.750984 Ba\n0.500983 0.749017 0.249017 Ba\n0.833313 0.165348 0.168025 Hg\n0.166686 0.834653 0.831975 Hg\n0.166687 0.331975 0.334652 Hg\n0.833313 0.668025 0.665348 Hg\n",
"nsites": 6,
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"density": 9.24234117026796,
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"formula_full": "Ba2 Hg4",
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"spacegroup": 191
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{
"id": "jvasp-78263",
"created_at": "2022-09-04T14:37:13.923345Z",
"updated_at": "2022-09-04T14:37:13.923367Z",
"structure_string": "Cr1 N1\n1.0\n0.000000 0.000000 -2.922567\n-1.461268 2.066558 -1.461283\n1.461268 2.066558 -1.461283\nCr N\n1 1\ndirect\n0.750001 -0.000000 -0.000000 Cr\n0.249999 0.500001 0.500001 N\n",
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"elements": [
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"density": 6.209255244886921,
"density_atomic": 0.11330734184731416,
"volume": 17.651106869094804,
"volume_molar": 5.31487250677459,
"formula_full": "Cr1 N1",
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"energy_above_hull": 3.065025325,
"spacegroup": 225
},
{
"id": "jvasp-36375",
"created_at": "2022-09-04T14:37:14.292514Z",
"updated_at": "2022-09-04T14:37:14.292538Z",
"structure_string": "Ca1 C2\n1.0\n1.382678 -2.394868 -0.000000\n1.382678 2.394868 0.000000\n0.000000 -0.000000 4.194984\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.500000 C\n0.666668 0.333334 0.500000 C\n",
"nsites": 3,
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"elements": [
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"density": 3.8312467513237385,
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"volume": 27.781963615067074,
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"formula_full": "Ca1 C2",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-7698",
"created_at": "2022-09-04T14:37:06.406484Z",
"updated_at": "2022-09-04T14:37:06.406500Z",
"structure_string": "Nd1 Au1\n1.0\n3.701216 0.000000 0.000000\n0.000000 3.701216 -0.000000\n0.000000 0.000000 3.701216\nNd Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
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"elements": [
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"density": 11.174696432518996,
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"spacegroup": 221
},
{
"id": "jvasp-36535",
"created_at": "2022-09-04T14:37:19.001794Z",
"updated_at": "2022-09-04T14:37:19.001818Z",
"structure_string": "Cr1 N2\n1.0\n-2.352481 -2.352481 0.000000\n-2.352481 0.000000 -2.352481\n-0.000000 -2.352481 -2.352481\nCr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"elements": [
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{
"id": "jvasp-10154",
"created_at": "2022-09-04T14:37:07.777721Z",
"updated_at": "2022-09-04T14:37:07.777740Z",
"structure_string": "K4 Se6\n1.0\n6.464735 -0.025388 -0.000000\n-1.921681 6.172568 0.000000\n0.000000 0.000000 7.566236\nK Se\n4 6\ndirect\n0.098762 0.901238 0.871558 K\n0.901239 0.098762 0.371557 K\n0.584993 0.415008 0.151260 K\n0.415008 0.584992 0.651261 K\n0.788933 0.211068 0.812090 Se\n0.211068 0.788932 0.312090 Se\n0.090068 0.405561 0.001446 Se\n0.909933 0.594439 0.501446 Se\n0.594440 0.909932 0.001446 Se\n0.405561 0.090068 0.501446 Se\n",
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"formula_full": "K4 Se6",
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{
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"created_at": "2022-09-04T14:37:18.963105Z",
"updated_at": "2022-09-04T14:37:18.963133Z",
"structure_string": "Si6 O12\n1.0\n7.667520 -0.005544 -3.770113\n-6.053468 4.705998 -3.770113\n-0.001904 -0.005545 8.544273\nSi O\n6 12\ndirect\n0.805878 0.805878 0.184593 Si\n0.194123 0.815409 0.194124 Si\n0.184593 0.805878 0.805878 Si\n0.815409 0.194124 0.194124 Si\n0.805879 0.184594 0.805879 Si\n0.194124 0.194124 0.815409 Si\n0.500001 0.000001 0.500001 O\n0.000000 0.822637 0.177366 O\n0.000001 0.000001 0.500000 O\n0.822637 0.000001 0.177366 O\n0.000000 0.500000 0.000000 O\n0.177365 0.822636 0.000001 O\n0.822637 0.177366 0.000001 O\n0.177366 0.000001 0.822637 O\n0.000001 0.500001 0.500001 O\n0.000001 0.177366 0.822637 O\n0.500000 0.500001 0.000001 O\n0.500000 0.000000 0.000000 O\n",
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}