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"results": [
{
"id": "jvasp-111366",
"created_at": "2022-09-04T14:38:25.790276Z",
"updated_at": "2022-09-04T14:38:25.790295Z",
"structure_string": "In3 Bi1 Te4\n1.0\n6.639119 0.102420 -1.941494\n-3.705483 5.509791 -1.941494\n-0.053537 -0.102420 6.916967\nIn Bi Te\n3 1 4\ndirect\n0.500000 0.000000 0.500000 In\n-0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000001 In\n0.000000 0.000000 0.000000 Bi\n0.945004 0.445004 0.890010 Te\n0.554996 0.054996 0.109992 Te\n0.054996 0.945004 0.500001 Te\n0.445004 0.554996 0.500001 Te\n",
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{
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"created_at": "2022-09-04T14:37:48.086567Z",
"updated_at": "2022-09-04T14:37:48.086582Z",
"structure_string": "Sr4 I4 O2\n1.0\n5.986932 -0.000055 -2.597146\n-1.471962 6.464081 -3.393045\n-0.009404 -0.000045 8.177395\nSr I O\n4 4 2\ndirect\n0.909749 0.583274 0.819504 Sr\n0.090252 0.416726 0.180497 Sr\n0.590244 0.763768 0.180491 Sr\n0.409757 0.236232 0.819510 Sr\n0.349501 0.701559 0.699004 I\n0.849499 0.997443 0.698999 I\n0.650500 0.298441 0.300997 I\n0.150502 0.002557 0.301002 I\n0.250003 0.500000 0.000000 O\n0.749997 0.499999 -0.000000 O\n",
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{
"id": "jvasp-115190",
"created_at": "2022-09-04T14:38:43.130030Z",
"updated_at": "2022-09-04T14:38:43.130056Z",
"structure_string": "Li1 I2\n1.0\n4.212433 -0.444537 0.315498\n0.846062 -9.743180 -0.941057\n-0.866989 2.307847 -2.167794\nLi I\n1 2\ndirect\n0.031383 0.930224 -0.165650 Li\n0.691865 0.183915 0.663858 I\n0.370821 0.676493 0.004243 I\n",
"nsites": 3,
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"elements": [
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"density": 4.562869531633247,
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"volume": 94.8932374642371,
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"formula_full": "Li1 I2",
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{
"id": "jvasp-121034",
"created_at": "2022-09-04T14:38:52.741499Z",
"updated_at": "2022-09-04T14:38:52.741520Z",
"structure_string": "Sr1 Se1 F1\n1.0\n5.024945 0.000000 0.000000\n-2.512472 4.351730 -0.000000\n-0.000000 -0.000000 4.339700\nSr Se F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.333333 0.666667 0.000000 Se\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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"chemical_system": "F-Se-Sr",
"density": 3.247308641566759,
"density_atomic": 0.031613187849820014,
"volume": 94.89710478587753,
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"formula_full": "Sr1 Se1 F1",
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"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-100395",
"created_at": "2022-09-04T14:37:02.577761Z",
"updated_at": "2022-09-04T14:37:02.577788Z",
"structure_string": "Ge1 Te2 Pb1\n1.0\n4.473255 0.000000 -0.000000\n0.000000 4.473255 0.000000\n0.000000 0.000000 6.323325\nGe Te Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Te\n0.500001 0.500001 0.000000 Te\n0.500001 0.500001 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"chemical_system": "Ge-Pb-Te",
"density": 7.02170424507096,
"density_atomic": 0.03161310657410279,
"volume": 126.52979834878896,
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"formula_full": "Ge1 Te2 Pb1",
"formula_reduced": "GeTe2Pb",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-35479",
"created_at": "2022-09-04T14:37:46.778305Z",
"updated_at": "2022-09-04T14:37:46.778327Z",
"structure_string": "Mn1 Al2 Te4\n1.0\n5.967051 -0.000000 0.000000\n0.000000 5.967051 0.000000\n-2.983526 -2.983526 6.219126\nMn Al Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.388797 0.388797 0.239444 Te\n0.850646 0.850646 0.239444 Te\n0.149353 0.611202 0.760556 Te\n0.611202 0.149353 0.760556 Te\n",
"nsites": 7,
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"elements": [
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"density": 4.644105843947384,
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"volume": 221.4363199199238,
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"formula_full": "Mn1 Al2 Te4",
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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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"chemical_system": "Bi-Br",
"density": 5.888260182158157,
"density_atomic": 0.031611796108615926,
"volume": 506.1401745419689,
"volume_molar": 19.05029609614191,
"formula_full": "Bi4 Br12",
"formula_reduced": "BiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0052774999999999,
"spacegroup": 14
},
{
"id": "jvasp-2244",
"created_at": "2022-09-04T14:36:47.600378Z",
"updated_at": "2022-09-04T14:36:47.600403Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.162151 -0.001044 9.517693\n1.989250 3.656006 9.517693\n-0.001757 -0.001044 10.387973\nSb Te Se\n2 2 1\ndirect\n0.892919 0.892924 0.892919 Sb\n0.107079 0.107079 0.107079 Sb\n0.715906 0.715910 0.715907 Te\n0.284091 0.284093 0.284092 Te\n0.499999 0.500002 0.499999 Se\n",
"nsites": 5,
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"elements": [
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"Te",
"Se"
],
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"density": 6.064491157911398,
"density_atomic": 0.03161025083379966,
"volume": 158.17653666492538,
"volume_molar": 19.051227374509633,
"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33131822,
"spacegroup": 166
},
{
"id": "jvasp-100545",
"created_at": "2022-09-04T14:36:46.206558Z",
"updated_at": "2022-09-04T14:36:46.206577Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.479903 0.000000 -0.000000\n0.000000 4.479903 0.000000\n0.000000 -0.000000 6.305529\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
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"Pb",
"Se"
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"chemical_system": "Pb-Se-Sn-Te",
"density": 6.986915531800567,
"density_atomic": 0.03160830756682923,
"volume": 126.54900903956425,
"volume_molar": 19.05239863686921,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
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"spacegroup": 123
},
{
"id": "jvasp-1711",
"created_at": "2022-09-04T14:35:53.492041Z",
"updated_at": "2022-09-04T14:35:53.492062Z",
"structure_string": "Rb1 Sm1 Se2\n1.0\n4.152010 0.003108 7.193620\n1.929416 3.676487 7.193620\n0.005138 0.003108 8.305861\nRb Sm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.499999 Sm\n0.233850 0.233850 0.233849 Se\n0.766151 0.766152 0.766149 Se\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03160752902770899,
"volume": 126.55212612454989,
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"formula_full": "Rb1 Sm1 Se2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-54563",
"created_at": "2022-09-04T14:38:36.413234Z",
"updated_at": "2022-09-04T14:38:36.413259Z",
"structure_string": "Rb8 Se20\n1.0\n6.804190 0.000000 0.000000\n0.000000 7.170978 0.000000\n0.000000 0.000000 18.156440\nRb Se\n8 20\ndirect\n0.587414 0.241909 0.160488 Rb\n0.615187 0.414584 0.509450 Rb\n0.912586 0.758091 0.660488 Rb\n0.884813 0.585416 0.009450 Rb\n0.115187 0.085416 0.490550 Rb\n0.384813 0.914585 0.990550 Rb\n0.412586 0.741909 0.339512 Rb\n0.087414 0.258091 0.839512 Rb\n0.079964 0.756426 0.836775 Se\n0.752818 0.135675 0.348050 Se\n0.923430 0.639093 0.374690 Se\n0.420036 0.243575 0.336775 Se\n0.468333 0.128732 0.704801 Se\n0.747182 0.864326 0.848050 Se\n0.601118 0.920237 0.515395 Se\n0.920036 0.256426 0.663225 Se\n0.101118 0.579764 0.484605 Se\n0.076570 0.139093 0.125310 Se\n0.531667 0.628732 0.795199 Se\n0.579964 0.743575 0.163225 Se\n0.247182 0.635675 0.151950 Se\n0.252818 0.364326 0.651950 Se\n0.968333 0.371269 0.295199 Se\n0.031667 0.871269 0.204801 Se\n0.423430 0.860907 0.625310 Se\n0.898882 0.079764 0.015395 Se\n0.576570 0.360907 0.874690 Se\n0.398882 0.420236 0.984605 Se\n",
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"formula_full": "Rb8 Se20",
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{
"id": "jvasp-38406",
"created_at": "2022-09-04T14:38:01.112564Z",
"updated_at": "2022-09-04T14:38:01.112592Z",
"structure_string": "Pr2 Ho6\n1.0\n3.591961 -6.221460 0.000000\n3.591961 6.221460 0.000000\n0.000000 -0.000000 5.663224\nPr Ho\n2 6\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n0.164730 0.835270 0.750000 Ho\n0.670539 0.835269 0.750000 Ho\n0.164730 0.329460 0.750000 Ho\n0.835269 0.670539 0.250000 Ho\n0.329460 0.164730 0.250000 Ho\n0.835270 0.164730 0.250000 Ho\n",
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