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{
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"results": [
{
"id": "jvasp-18093",
"created_at": "2022-09-04T14:38:09.106090Z",
"updated_at": "2022-09-04T14:38:09.106111Z",
"structure_string": "La1 Pb3\n1.0\n4.957811 -0.000000 -0.000000\n0.000000 4.957811 -0.000000\n-0.000000 0.000000 4.957811\nLa Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
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{
"id": "jvasp-18351",
"created_at": "2022-09-04T14:38:10.347044Z",
"updated_at": "2022-09-04T14:38:10.347062Z",
"structure_string": "Tm1 Bi1\n1.0\n3.825372 -0.000000 2.208579\n1.275124 3.606595 2.208579\n-0.000000 0.000000 4.417159\nTm Bi\n1 1\ndirect\n0.499999 0.500001 0.500000 Tm\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-16779",
"created_at": "2022-09-04T14:37:48.482785Z",
"updated_at": "2022-09-04T14:37:48.482815Z",
"structure_string": "Cd1 Te1\n1.0\n3.084659 0.000000 0.000000\n0.000000 3.086625 0.000000\n0.000000 0.000000 6.400717\nCd Te\n1 1\ndirect\n0.000000 0.124951 0.500000 Cd\n0.000000 0.125049 0.000000 Te\n",
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"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
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"spacegroup": 123
},
{
"id": "jvasp-4795",
"created_at": "2022-09-04T14:37:06.772331Z",
"updated_at": "2022-09-04T14:37:06.772355Z",
"structure_string": "Cd1 Te1\n1.0\n3.084659 0.000000 0.000000\n0.000000 3.086625 0.000000\n0.000000 0.000000 6.400717\nCd Te\n1 1\ndirect\n0.000000 0.124951 0.500000 Cd\n0.000000 0.125049 0.000000 Te\n",
"nsites": 2,
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"elements": [
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"density": 6.539741583561764,
"density_atomic": 0.03281786615100495,
"volume": 60.94241443966507,
"volume_molar": 18.35018990049598,
"formula_full": "Cd1 Te1",
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"formula_anonymous": "AB",
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"spacegroup": 123
},
{
"id": "jvasp-105235",
"created_at": "2022-09-04T14:36:51.199266Z",
"updated_at": "2022-09-04T14:36:51.199292Z",
"structure_string": "Pm3 Mg1\n1.0\n4.530318 0.028463 -4.081943\n-0.878555 4.444405 -4.081943\n-0.023238 -0.028463 6.097991\nPm Mg\n3 1\ndirect\n0.500001 0.499999 0.000000 Pm\n0.750000 0.250000 0.500000 Pm\n0.250001 0.749999 0.500000 Pm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
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"density": 6.2574571271318655,
"density_atomic": 0.032817659404775344,
"volume": 121.88559673509057,
"volume_molar": 18.350305503882797,
"formula_full": "Pm3 Mg1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-116600",
"created_at": "2022-09-04T14:38:51.449708Z",
"updated_at": "2022-09-04T14:38:51.449722Z",
"structure_string": "Rb4 Nb6 Br18\n1.0\n9.721451 0.375043 2.543599\n-4.766540 8.481000 2.543599\n0.139051 0.248529 10.272009\nRb Nb Br\n4 6 18\ndirect\n0.752718 0.058572 0.328516 Rb\n0.247282 0.941428 0.671484 Rb\n0.941428 0.247281 0.671484 Rb\n0.058572 0.752718 0.328516 Rb\n0.278917 0.458206 0.136931 Nb\n0.541794 0.721083 0.863070 Nb\n0.721083 0.541794 0.863070 Nb\n0.401140 0.401140 0.869332 Nb\n0.598860 0.598860 0.130669 Nb\n0.458206 0.278917 0.136931 Nb\n0.107657 0.330542 0.006615 Br\n0.430330 0.650804 0.673191 Br\n0.569669 0.349196 0.326809 Br\n0.172637 0.172637 0.337895 Br\n0.827363 0.827363 0.662105 Br\n0.266875 0.266875 0.699005 Br\n0.733125 0.733125 0.300996 Br\n0.892342 0.669458 0.993386 Br\n0.596396 0.020883 0.679799 Br\n0.330542 0.107657 0.006615 Br\n-0.020883 0.403604 0.320202 Br\n0.020883 0.596396 0.679799 Br\n0.650804 0.430330 0.673191 Br\n0.403604 -0.020883 0.320202 Br\n0.279500 0.720500 0.000000 Br\n0.720500 0.279499 0.000000 Br\n0.669458 0.892342 0.993386 Br\n0.349196 0.569669 0.326809 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Nb",
"Br"
],
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"density": 4.549301321094348,
"density_atomic": 0.032816093404925924,
"volume": 853.2398922230336,
"volume_molar": 18.351181189336923,
"formula_full": "Rb4 Nb6 Br18",
"formula_reduced": "Rb2(NbBr3)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 12
},
{
"id": "jvasp-108606",
"created_at": "2022-09-04T14:38:20.213074Z",
"updated_at": "2022-09-04T14:38:20.213095Z",
"structure_string": "In4 Sb1 Te3\n1.0\n6.993723 -0.018531 3.113244\n-4.177744 5.608829 3.113244\n-0.000151 -0.000300 6.226712\nIn Sb Te\n4 1 3\ndirect\n0.001457 0.001457 0.000771 In\n0.501317 0.501317 0.000766 In\n0.247537 0.756210 0.499839 In\n0.756210 0.247536 0.499840 In\n0.001440 0.001440 0.500709 Sb\n0.751812 0.251844 0.999924 Te\n0.251845 0.751812 0.999923 Te\n0.501536 0.501536 0.500530 Te\n",
"nsites": 8,
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"elements": [
"In",
"Sb",
"Te"
],
"chemical_system": "In-Sb-Te",
"density": 6.565165884272775,
"density_atomic": 0.03281597048573066,
"volume": 243.78373948985094,
"volume_molar": 18.351249927588164,
"formula_full": "In4 Sb1 Te3",
"formula_reduced": "In4SbTe3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.3144849100000001,
"spacegroup": 139
},
{
"id": "jvasp-116402",
"created_at": "2022-09-04T14:38:49.209494Z",
"updated_at": "2022-09-04T14:38:49.209510Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.681785 1.514466 0.000000\n1.295091 7.155024 0.000000\n0.000000 0.000000 3.749611\nSr Pb O\n1 1 1\ndirect\n0.006484 -0.116536 0.000000 Sr\n-0.029179 0.420378 0.000000 Pb\n0.327539 0.065013 0.000000 O\n",
"nsites": 3,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 5.645516165177633,
"density_atomic": 0.03281464382979711,
"volume": 91.42259826315319,
"volume_molar": 18.351991846188003,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
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"spacegroup": 25
},
{
"id": "jvasp-36935",
"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
"nsites": 10,
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"elements": [
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"Ca",
"Cl"
],
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"density": 2.0219243379887533,
"density_atomic": 0.03281400621241877,
"volume": 304.74791573042995,
"volume_molar": 18.352348448452677,
"formula_full": "K2 Ca2 Cl6",
"formula_reduced": "KCaCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-119461",
"created_at": "2022-09-04T14:38:50.610522Z",
"updated_at": "2022-09-04T14:38:50.610533Z",
"structure_string": "K2 La2 Cu2 Te8\n1.0\n4.484667 -0.000000 0.000000\n0.000000 4.484667 0.000000\n-0.000000 -0.000000 21.213413\nK La Cu Te\n2 2 2 8\ndirect\n-0.000000 0.500000 0.140023 K\n0.500000 0.000000 0.859977 K\n-0.000000 0.500000 0.600049 La\n0.500000 0.000000 0.399951 La\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.722102 Te\n0.500000 0.500000 0.277898 Te\n-0.000000 0.500000 0.442244 Te\n0.500000 0.000000 0.557756 Te\n-0.000000 0.500000 0.929605 Te\n0.500000 0.000000 0.070395 Te\n0.000000 0.000000 0.277898 Te\n0.500000 0.500000 0.722102 Te\n",
"nsites": 14,
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"elements": [
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"Cu",
"Te"
],
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"density": 5.853248667092858,
"density_atomic": 0.03281384230237591,
"volume": 426.64921318849395,
"volume_molar": 18.35244012117399,
"formula_full": "K2 La2 Cu2 Te8",
"formula_reduced": "KLaCuTe4",
"formula_anonymous": "ABCD4",
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"spacegroup": 129
},
{
"id": "jvasp-56355",
"created_at": "2022-09-04T14:37:38.282858Z",
"updated_at": "2022-09-04T14:37:38.282874Z",
"structure_string": "Ce3 Ga1 Br3\n1.0\n5.975160 -0.000000 0.000000\n-0.000000 5.975160 0.000000\n-0.000000 -0.000000 5.975160\nCe Ga Br\n3 1 3\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 7,
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"volume": 213.32837113388405,
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"formula_full": "Ce3 Ga1 Br3",
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"formula_anonymous": "AB3C3",
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"spacegroup": 221
},
{
"id": "jvasp-39061",
"created_at": "2022-09-04T14:37:57.681596Z",
"updated_at": "2022-09-04T14:37:57.681623Z",
"structure_string": "Sm1 Ho3\n1.0\n-2.480981 2.480981 4.951379\n2.480981 -2.480981 4.951379\n2.480981 2.480981 -4.951379\nSm Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.749999 0.250000 0.499999 Ho\n0.250000 0.749999 0.499999 Ho\n0.500000 0.500000 0.000000 Ho\n",
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"volume": 121.90823355398834,
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"formula_full": "Sm1 Ho3",
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}