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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3846",
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"results": [
{
"id": "jvasp-69100",
"created_at": "2022-09-04T14:36:11.693989Z",
"updated_at": "2022-09-04T14:36:11.694008Z",
"structure_string": "K2 Ba1 Ga1\n1.0\n4.680826 -0.000000 0.000000\n0.000000 4.680826 -0.000000\n-0.000000 -0.000000 8.234892\nK Ba Ga\n2 1 1\ndirect\n0.000000 0.000000 0.697154 K\n0.000000 0.000000 0.302846 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n",
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{
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"structure_string": "Ba4 Ga1 Ir1\n1.0\n-0.000000 4.760485 4.760485\n4.760485 0.000000 4.760485\n4.760485 4.760485 0.000000\nBa Ga Ir\n4 1 1\ndirect\n0.122818 0.625727 0.625727 Ba\n0.625727 0.625727 0.625727 Ba\n0.625727 0.122818 0.625727 Ba\n0.625727 0.625727 0.122818 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Ba4 Ga1 Ir1",
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{
"id": "jvasp-64463",
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"updated_at": "2022-09-04T14:35:58.384738Z",
"structure_string": "Ba4 In1 Ga1\n1.0\n0.000000 5.028841 5.028841\n5.028841 -0.000000 5.028841\n5.028841 5.028841 -0.000000\nBa In Ga\n4 1 1\ndirect\n0.125024 0.624992 0.624992 Ba\n0.624992 0.624992 0.624992 Ba\n0.624992 0.125024 0.624992 Ba\n0.624992 0.624992 0.125024 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
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"elements": [
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],
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"volume": 254.35115207850683,
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"formula_full": "Ba4 In1 Ga1",
"formula_reduced": "Ba4InGa",
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"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-101233",
"created_at": "2022-09-04T14:37:03.064899Z",
"updated_at": "2022-09-04T14:37:03.064934Z",
"structure_string": "Ba2 In2 Ga2\n1.0\n4.907658 -0.003450 4.148741\n2.253910 4.359473 4.148741\n0.006800 0.004136 8.365912\nBa In Ga\n2 2 2\ndirect\n0.750032 0.750032 0.695262 Ba\n0.249968 0.249968 0.304738 Ba\n0.575815 0.575815 0.255703 In\n0.424185 0.424185 0.744296 In\n0.063924 0.063924 0.087927 Ga\n0.936076 0.936076 0.912072 Ga\n",
"nsites": 6,
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"elements": [
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"Ga"
],
"chemical_system": "Ba-Ga-In",
"density": 5.975671134199759,
"density_atomic": 0.033541389064513316,
"volume": 178.88346807759316,
"volume_molar": 17.954357073337214,
"formula_full": "Ba2 In2 Ga2",
"formula_reduced": "BaInGa",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-35742",
"created_at": "2022-09-04T14:37:19.503996Z",
"updated_at": "2022-09-04T14:37:19.504023Z",
"structure_string": "Ba1 Ga1 Sn1 H1\n1.0\n2.297163 -3.978804 -0.000000\n2.297163 3.978804 0.000000\n0.000000 -0.000000 5.369202\nBa Ga Sn H\n1 1 1 1\ndirect\n-0.000000 0.000000 0.000147 Ba\n0.666666 0.333333 0.413741 Ga\n0.333333 0.666666 0.543755 Sn\n0.666666 0.333333 0.086054 H\n",
"nsites": 4,
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"elements": [
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"Ga",
"Sn",
"H"
],
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"density": 5.528463419705983,
"density_atomic": 0.040754530461569516,
"volume": 98.14859733869092,
"volume_molar": 14.776616714253954,
"formula_full": "Ba1 Ga1 Sn1 H1",
"formula_reduced": "BaGaSnH",
"formula_anonymous": "ABCD",
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"spacegroup": 156
},
{
"id": "jvasp-36190",
"created_at": "2022-09-04T14:37:13.797241Z",
"updated_at": "2022-09-04T14:37:13.797263Z",
"structure_string": "Ba1 Ga1 Si1 H1\n1.0\n2.154842 -3.732295 -0.000000\n2.154842 3.732295 0.000000\n0.000000 -0.000000 5.254763\nBa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001004 Ba\n0.666667 0.333332 0.457940 Ga\n0.333332 0.666667 0.545887 Si\n0.666667 0.333332 0.121469 H\n",
"nsites": 4,
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"elements": [
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"H"
],
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"density": 4.639278658634996,
"density_atomic": 0.047324438259760855,
"volume": 84.52292614746429,
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"formula_full": "Ba1 Ga1 Si1 H1",
"formula_reduced": "BaGaSiH",
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},
{
"id": "jvasp-50717",
"created_at": "2022-09-04T14:36:06.236437Z",
"updated_at": "2022-09-04T14:36:06.236465Z",
"structure_string": "Ba2 Ga1 P4 H1 O14\n1.0\n4.812250 0.028956 -0.002488\n-2.024099 7.308031 0.013699\n-1.078113 -3.069548 7.975356\nBa Ga P H O\n2 1 4 1 14\ndirect\n0.144707 0.475161 0.740851 Ba\n0.855294 0.524839 0.259150 Ba\n0.000000 0.000000 0.000000 Ga\n0.456313 0.814811 0.138574 P\n0.626536 0.828159 0.624593 P\n0.373465 0.171841 0.375407 P\n0.543688 0.185189 0.861427 P\n0.000000 -0.000000 0.500000 H\n0.579978 0.041547 0.688131 O\n0.783803 0.865018 0.133452 O\n0.845956 0.850859 0.510811 O\n0.655912 0.391088 0.860140 O\n0.750815 0.792725 0.782894 O\n0.249186 0.207276 0.217106 O\n0.420022 0.958453 0.311869 O\n0.154045 0.149142 0.489190 O\n0.216198 0.134982 0.866548 O\n0.664384 0.329921 0.469050 O\n0.335617 0.670079 0.530950 O\n0.265366 0.839599 0.994158 O\n0.344089 0.608912 0.139860 O\n0.734635 0.160401 0.005842 O\n",
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"elements": [
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"Ga",
"P",
"H",
"O"
],
"chemical_system": "Ba-Ga-H-O-P",
"density": 4.0951782816238715,
"density_atomic": 0.07826056781525594,
"volume": 281.11219499370117,
"volume_molar": 7.6949873072937995,
"formula_full": "Ba2 Ga1 P4 H1 O14",
"formula_reduced": "Ba2GaP4HO14",
"formula_anonymous": "ABC2D4E14",
"energy_above_hull": 2.617420239318182,
"spacegroup": 2
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{
"id": "jvasp-81118",
"created_at": "2022-09-04T14:37:18.738943Z",
"updated_at": "2022-09-04T14:37:18.738960Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-17.219116 -0.000000 -9.941462\n-10.003705 -0.483360 -2.555998\n-8.846416 2.789948 -4.560482\nBa Ga Hg\n2 1 1\ndirect\n0.838703 0.000001 0.000000 Ba\n0.161296 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000001 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density_atomic": 0.025121555496140147,
"volume": 159.2258091110078,
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"formula_full": "Ba2 Ga1 Hg1",
"formula_reduced": "Ba2GaHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-64141",
"created_at": "2022-09-04T14:37:52.473367Z",
"updated_at": "2022-09-04T14:37:52.473378Z",
"structure_string": "Ba4 Ga1 Hg1\n1.0\n-0.000000 5.011517 5.011517\n5.011517 -0.000000 5.011517\n5.011517 5.011517 -0.000000\nBa Ga Hg\n4 1 1\ndirect\n0.125884 0.624706 0.624706 Ba\n0.624706 0.624706 0.624706 Ba\n0.624706 0.125884 0.624706 Ba\n0.624706 0.624706 0.125884 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
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"elements": [
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],
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"volume": 251.73153229392952,
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},
{
"id": "jvasp-65466",
"created_at": "2022-09-04T14:36:18.197489Z",
"updated_at": "2022-09-04T14:36:18.197514Z",
"structure_string": "Ba1 Hf1 Ga2\n1.0\n3.641265 -0.000000 -0.000000\n-0.000000 3.641265 0.000000\n0.000000 0.000000 7.408113\nBa Hf Ga\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ba\n0.500001 0.500001 0.000000 Hf\n0.000000 -0.000000 0.820005 Ga\n0.000000 -0.000000 0.179995 Ga\n",
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"volume": 98.22276865368724,
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},
{
"id": "jvasp-69292",
"created_at": "2022-09-04T14:36:06.308266Z",
"updated_at": "2022-09-04T14:36:06.308285Z",
"structure_string": "Ba1 Hf4 Ga1\n1.0\n-0.000000 4.247413 4.247413\n4.247413 0.000000 4.247413\n4.247413 4.247413 0.000000\nBa Hf Ga\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.624978 0.125066 0.624978 Hf\n0.125066 0.624978 0.624978 Hf\n0.624978 0.624978 0.624978 Hf\n0.624978 0.624978 0.125066 Hf\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "Ba1 Hf4 Ga1",
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"spacegroup": 216
},
{
"id": "jvasp-63995",
"created_at": "2022-09-04T14:36:14.071746Z",
"updated_at": "2022-09-04T14:36:14.071776Z",
"structure_string": "Ba4 Hf1 Ga1\n1.0\n0.000000 4.969229 4.969229\n4.969229 0.000000 4.969229\n4.969229 4.969229 -0.000000\nBa Hf Ga\n4 1 1\ndirect\n0.125475 0.624841 0.624841 Ba\n0.624841 0.624841 0.624841 Ba\n0.624841 0.125475 0.624841 Ba\n0.624841 0.624841 0.125475 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Ga\n",
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}