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{
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"results": [
{
"id": "jvasp-4358",
"created_at": "2022-09-04T14:37:10.034359Z",
"updated_at": "2022-09-04T14:37:10.034388Z",
"structure_string": "Ga4 Se4\n1.0\n1.904003 -3.297831 0.000000\n1.904003 3.297831 0.000000\n0.000000 0.000000 16.078318\nGa Se\n4 4\ndirect\n0.000000 0.000000 0.923649 Ga\n0.000000 0.000000 0.076351 Ga\n0.666666 0.333332 0.576347 Ga\n0.666666 0.333332 0.423654 Ga\n0.666666 0.333332 0.149172 Se\n0.666666 0.333332 0.850828 Se\n0.333332 0.666666 0.350760 Se\n0.333332 0.666666 0.649240 Se\n",
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{
"id": "jvasp-79898",
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"structure_string": "Ho1 Mg1 Tl2\n1.0\n0.000000 3.695767 3.695767\n3.695767 0.000000 3.695767\n3.695767 3.695767 -0.000000\nHo Mg Tl\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ho\n0.750002 0.750002 0.750002 Mg\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"Tl"
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"formula_full": "Ho1 Mg1 Tl2",
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{
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"structure_string": "Pb2 Cl2 F2\n1.0\n5.711778 -0.030564 -1.154930\n0.026365 4.506071 0.016400\n-1.434999 -0.013082 6.173922\nPb Cl F\n2 2 2\ndirect\n0.648542 0.750044 0.787104 Pb\n0.351461 0.249958 0.212896 Pb\n0.163591 0.750008 -0.190811 Cl\n0.836413 0.249994 0.190812 Cl\n0.551157 0.250000 0.626070 F\n0.448839 0.749998 0.373929 F\n",
"nsites": 6,
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"elements": [
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"volume": 151.44171276926275,
"volume_molar": 15.200055187199828,
"formula_full": "Pb2 Cl2 F2",
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"formula_anonymous": "ABC",
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"spacegroup": 11
},
{
"id": "jvasp-123777",
"created_at": "2022-09-04T14:38:55.255891Z",
"updated_at": "2022-09-04T14:38:55.255920Z",
"structure_string": "Yb1 Hf1\n1.0\n1.619372 -2.804834 -0.000000\n1.619372 2.804834 -0.000000\n-0.000000 0.000000 5.557070\nYb Hf\n1 1\ndirect\n0.666666 0.333333 0.250000 Yb\n0.333333 0.666666 0.750000 Hf\n",
"nsites": 2,
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"elements": [
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"Hf"
],
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"density": 11.5633012325522,
"density_atomic": 0.03961871117502091,
"volume": 50.48119791592247,
"volume_molar": 15.20024397915519,
"formula_full": "Yb1 Hf1",
"formula_reduced": "YbHf",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-41658",
"created_at": "2022-09-04T14:37:48.392189Z",
"updated_at": "2022-09-04T14:37:48.392212Z",
"structure_string": "Li1 Nd2 Ga1\n1.0\n0.000000 3.695839 3.695839\n3.695839 -0.000000 3.695839\n3.695839 3.695839 -0.000000\nLi Nd Ga\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.249999 0.249999 0.249999 Ga\n",
"nsites": 4,
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"elements": [
"Li",
"Nd",
"Ga"
],
"chemical_system": "Ga-Li-Nd",
"density": 6.005496193545359,
"density_atomic": 0.03961784637864377,
"volume": 100.96459968495974,
"volume_molar": 15.20057577699698,
"formula_full": "Li1 Nd2 Ga1",
"formula_reduced": "LiNd2Ga",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-113125",
"created_at": "2022-09-04T14:38:46.486192Z",
"updated_at": "2022-09-04T14:38:46.486218Z",
"structure_string": "Pr4 Mg2 Se8\n1.0\n7.204566 0.025408 -2.775685\n-3.386168 6.359268 -2.775685\n-0.015196 -0.025408 7.720749\nPr Mg Se\n4 2 8\ndirect\n0.875000 0.748692 0.373693 Pr\n0.498692 0.125000 0.873692 Pr\n0.375000 0.501308 0.626309 Pr\n0.251308 0.625000 0.126309 Pr\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.504270 0.374919 0.266995 Se\n0.762725 0.495730 0.870649 Se\n0.107923 0.237275 0.733005 Se\n0.625082 0.892077 0.129352 Se\n0.245730 0.012725 0.370649 Se\n0.987275 0.357924 0.233007 Se\n0.642076 0.875082 0.629352 Se\n0.124918 0.754270 0.766995 Se\n",
"nsites": 14,
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"elements": [
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"Mg",
"Se"
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"density": 5.845168789017001,
"density_atomic": 0.039617159580617206,
"volume": 353.38222498034753,
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"formula_full": "Pr4 Mg2 Se8",
"formula_reduced": "Pr2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0698874595238097,
"spacegroup": 122
},
{
"id": "jvasp-93107",
"created_at": "2022-09-04T14:36:19.655848Z",
"updated_at": "2022-09-04T14:36:19.655878Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
"nsites": 8,
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"Mg",
"Si"
],
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"density": 2.1506283504154826,
"density_atomic": 0.03961645483117776,
"volume": 201.93629223239023,
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"formula_full": "Sr1 Mg6 Si1",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-113112",
"created_at": "2022-09-04T14:38:44.621490Z",
"updated_at": "2022-09-04T14:38:44.621516Z",
"structure_string": "Cd2 Sb6 S11\n1.0\n3.852975 0.000000 0.000000\n0.000000 9.701295 0.634203\n0.000000 0.144060 12.840625\nCd Sb S\n2 6 11\ndirect\n0.500001 0.756939 0.268156 Cd\n-0.000000 0.280779 0.774085 Cd\n0.500001 0.225240 0.219984 Sb\n-0.000000 0.732351 0.722453 Sb\n-0.000000 0.566615 0.034874 Sb\n0.500001 0.471657 0.491516 Sb\n-0.000000 0.088265 0.493304 Sb\n0.500001 0.027976 0.953423 Sb\n-0.000000 0.316284 0.382392 S\n-0.000000 0.000336 0.819132 S\n0.500001 0.016478 0.345835 S\n0.500001 0.211163 0.601588 S\n0.500001 0.814687 0.604752 S\n0.500001 0.283363 0.909361 S\n-0.000000 0.663202 0.393502 S\n0.500001 0.642035 0.911116 S\n-0.000000 0.119010 0.119437 S\n-0.000000 0.783019 0.118004 S\n-0.000000 0.493600 0.644881 S\n",
"nsites": 19,
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"elements": [
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"S"
],
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"density": 4.52893013870578,
"density_atomic": 0.03961504698362874,
"volume": 479.61573812728057,
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"formula_full": "Cd2 Sb6 S11",
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"formula_anonymous": "A2B6C11",
"energy_above_hull": 1.7551161105263158,
"spacegroup": 6
},
{
"id": "jvasp-108812",
"created_at": "2022-09-04T14:38:27.580442Z",
"updated_at": "2022-09-04T14:38:27.580454Z",
"structure_string": "Ag2 Te1\n1.0\n4.175332 -0.047292 -2.102868\n-1.604262 3.855124 -2.102868\n0.031931 0.047292 4.674873\nAg Te\n2 1\ndirect\n0.749999 0.250000 0.499999 Ag\n0.250000 0.749999 0.499999 Ag\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"density": 7.528284829142128,
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"volume": 75.73086275626099,
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"formula_full": "Ag2 Te1",
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"spacegroup": 139
},
{
"id": "jvasp-54971",
"created_at": "2022-09-04T14:38:32.454700Z",
"updated_at": "2022-09-04T14:38:32.454722Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n8.143216 0.007057 1.193149\n1.062277 8.357875 1.366722\n0.019183 0.004692 8.535223\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.236957 0.733313 0.369286 Hg\n0.129820 0.272267 0.272267 Hg\n0.236957 0.369287 0.733312 Hg\n0.763043 0.266688 0.630713 Hg\n0.000000 0.000000 0.000000 Hg\n0.870181 0.727734 0.727733 Hg\n0.763044 0.630714 0.266687 Hg\n0.931584 0.436738 0.436737 P\n0.425899 0.925101 0.238594 P\n0.574102 0.074900 0.761405 P\n0.255247 0.085853 0.085853 P\n0.068416 0.563263 0.563262 P\n0.744754 0.914148 0.914147 P\n0.574102 0.761406 0.074899 P\n0.425899 0.238595 0.925100 P\n0.849815 0.954504 0.364339 Br\n0.150186 0.635661 0.045497 Br\n0.460310 0.354778 0.354777 Br\n0.539690 0.645223 0.645222 Br\n0.150185 0.045497 0.635660 Br\n0.849815 0.364340 0.954503 Br\n",
"nsites": 23,
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"elements": [
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"density": 6.712676981972326,
"density_atomic": 0.039613799873007956,
"volume": 580.6057503630632,
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"formula_full": "Ag2 Hg7 P8 Br6",
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{
"id": "jvasp-37242",
"created_at": "2022-09-04T14:37:56.835576Z",
"updated_at": "2022-09-04T14:37:56.835601Z",
"structure_string": "Sm1 Mg2 Sc1\n1.0\n-0.000000 3.695983 3.695983\n3.695983 0.000000 3.695983\n3.695983 3.695983 0.000000\nSm Mg Sc\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n0.250000 0.250000 0.250000 Sc\n",
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},
{
"id": "jvasp-102186",
"created_at": "2022-09-04T14:36:43.337910Z",
"updated_at": "2022-09-04T14:36:43.337926Z",
"structure_string": "Pr1 Mn1 In1\n1.0\n4.798188 -0.000000 0.000000\n-2.399094 4.155353 -0.000000\n-0.000000 0.000000 3.798448\nPr Mn In\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Pr\n0.666667 0.333333 0.500000 Mn\n0.000000 0.000000 0.500000 In\n",
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}