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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3656",
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"results": [
{
"id": "jvasp-113625",
"created_at": "2022-09-04T14:38:50.584138Z",
"updated_at": "2022-09-04T14:38:50.584150Z",
"structure_string": "Sr1 Ga1 N1\n1.0\n5.297905 2.417735 0.000000\n3.512585 5.970244 0.000000\n0.000000 0.000000 4.649408\nSr Ga N\n1 1 1\ndirect\n-0.012042 0.455035 0.000000 Sr\n-0.045591 -0.035263 0.000000 Ga\n0.279904 -0.057968 0.000000 N\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ga-N-Sr",
"density": 2.6449798955756436,
"density_atomic": 0.027887602798308646,
"volume": 107.5746819006597,
"volume_molar": 21.594329220599903,
"formula_full": "Sr1 Ga1 N1",
"formula_reduced": "SrGaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1820839616666667,
"spacegroup": 6
},
{
"id": "jvasp-108072",
"created_at": "2022-09-04T14:38:28.565382Z",
"updated_at": "2022-09-04T14:38:28.565404Z",
"structure_string": "Sr1 Ga1 Si1\n1.0\n4.212240 -0.000000 0.000000\n-2.106120 3.647907 0.000000\n-0.000000 -0.000000 4.684018\nSr Ga Si\n1 1 1\ndirect\n0.333334 0.666667 -0.000000 Sr\n0.666667 0.333334 0.500000 Ga\n0.000000 0.000000 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Si-Sr",
"density": 4.278092410672268,
"density_atomic": 0.0416817393608739,
"volume": 71.9739638028652,
"volume_molar": 14.447911369199971,
"formula_full": "Sr1 Ga1 Si1",
"formula_reduced": "SrGaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.455239078333333,
"spacegroup": 187
},
{
"id": "jvasp-37390",
"created_at": "2022-09-04T14:37:49.624980Z",
"updated_at": "2022-09-04T14:37:49.624994Z",
"structure_string": "Sr1 Ga1 Si1 H1\n1.0\n2.094342 -3.627507 0.000000\n2.094342 3.627507 -0.000000\n0.000000 0.000000 4.987051\nSr Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.997180 Sr\n0.333332 0.666667 0.550051 Ga\n0.666667 0.333332 0.442769 Si\n0.333332 0.666667 0.906901 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
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"Ga",
"Si",
"H"
],
"chemical_system": "Ga-H-Si-Sr",
"density": 4.085547201684672,
"density_atomic": 0.052787406450523794,
"volume": 75.77564932554684,
"volume_molar": 11.408290660471053,
"formula_full": "Sr1 Ga1 Si1 H1",
"formula_reduced": "SrGaSiH",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.0558818087500002,
"spacegroup": 156
},
{
"id": "jvasp-37308",
"created_at": "2022-09-04T14:37:44.195604Z",
"updated_at": "2022-09-04T14:37:44.195634Z",
"structure_string": "Sr1 Ga1 Sn1 H1\n1.0\n2.234233 -3.869804 0.000000\n2.234233 3.869804 -0.000000\n0.000000 0.000000 5.142556\nSr Ga Sn H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001220 Sr\n0.666666 0.333332 0.399881 Ga\n0.333332 0.666666 0.550796 Sn\n0.666666 0.333332 0.058802 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Sn",
"H"
],
"chemical_system": "Ga-H-Sn-Sr",
"density": 5.173660710070404,
"density_atomic": 0.04498145866579757,
"volume": 88.92552884332027,
"volume_molar": 13.388051296297865,
"formula_full": "Sr1 Ga1 Sn1 H1",
"formula_reduced": "SrGaSnH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.36714758375,
"spacegroup": 156
},
{
"id": "jvasp-14853",
"created_at": "2022-09-04T14:35:53.845404Z",
"updated_at": "2022-09-04T14:35:53.845421Z",
"structure_string": "Sr1 Ga2\n1.0\n2.171917 -3.761871 0.000000\n2.171917 3.761871 -0.000000\n0.000000 -0.000000 4.729468\nSr Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666668 0.500000 Ga\n0.666668 0.333334 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Ga"
],
"chemical_system": "Ga-Sr",
"density": 4.878786309146115,
"density_atomic": 0.03881788277653916,
"volume": 77.2839677338906,
"volume_molar": 15.513831072826251,
"formula_full": "Sr1 Ga2",
"formula_reduced": "SrGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-37310",
"created_at": "2022-09-04T14:37:44.401524Z",
"updated_at": "2022-09-04T14:37:44.401554Z",
"structure_string": "Sr1 Ga2 H2\n1.0\n4.396010 0.000014 0.000002\n-2.197993 3.807034 0.000005\n-0.000012 0.000008 4.721527\nSr Ga H\n1 2 2\ndirect\n0.999959 0.999997 -0.000002 Sr\n0.333301 0.666671 0.466748 Ga\n0.666622 0.333327 0.533251 Ga\n0.333293 0.666666 0.105206 H\n0.666629 0.333334 0.894792 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"H"
],
"chemical_system": "Ga-H-Sr",
"density": 4.814055943399769,
"density_atomic": 0.06327633274112872,
"volume": 79.01848579714024,
"volume_molar": 9.517208882248788,
"formula_full": "Sr1 Ga2 H2",
"formula_reduced": "Sr(GaH)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6939401919999997,
"spacegroup": 164
},
{
"id": "jvasp-8784",
"created_at": "2022-09-04T14:37:10.318403Z",
"updated_at": "2022-09-04T14:37:10.318426Z",
"structure_string": "Sr1 Ga2 Te4\n1.0\n6.760122 -0.027035 -0.000000\n-3.368337 5.861253 0.000000\n-1.695892 -2.917109 5.857850\nSr Ga Te\n1 2 4\ndirect\n0.749999 0.749999 -0.000000 Sr\n0.249999 0.749999 0.500000 Ga\n0.749999 0.249999 0.500000 Ga\n0.176931 0.323068 0.500000 Te\n0.323068 0.823068 0.146136 Te\n0.676931 0.176931 0.853864 Te\n0.823068 0.676930 0.500000 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Te"
],
"chemical_system": "Ga-Sr-Te",
"density": 5.288190805245586,
"density_atomic": 0.030228323182563573,
"volume": 231.57089983865757,
"volume_molar": 19.92217935354653,
"formula_full": "Sr1 Ga2 Te4",
"formula_reduced": "Sr(GaTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.2527388609523809,
"spacegroup": 97
},
{
"id": "jvasp-20465",
"created_at": "2022-09-04T14:38:13.667349Z",
"updated_at": "2022-09-04T14:38:13.667374Z",
"structure_string": "Sr1 Ga4\n1.0\n4.200398 0.000000 -1.608315\n-0.615817 4.155010 -1.608315\n-0.029057 -0.033681 6.213312\nSr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.618313 0.618313 0.236626 Ga\n0.249999 0.750000 0.500000 Ga\n0.750000 0.250000 0.500001 Ga\n0.381686 0.381687 0.763375 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sr",
"Ga"
],
"chemical_system": "Ga-Sr",
"density": 5.636090828260874,
"density_atomic": 0.04630316649340454,
"volume": 107.98397558214953,
"volume_molar": 13.005894015602147,
"formula_full": "Sr1 Ga4",
"formula_reduced": "SrGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-20206",
"created_at": "2022-09-04T14:38:05.959873Z",
"updated_at": "2022-09-04T14:38:05.959897Z",
"structure_string": "Sr1 Ga4\n1.0\n4.200398 0.000000 -1.608315\n-0.615817 4.155010 -1.608315\n-0.029057 -0.033681 6.213312\nSr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.618313 0.618313 0.236626 Ga\n0.249999 0.750000 0.500000 Ga\n0.750000 0.250000 0.500001 Ga\n0.381686 0.381687 0.763375 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Sr",
"density": 5.636090828260874,
"density_atomic": 0.04630316649340454,
"volume": 107.98397558214953,
"volume_molar": 13.005894015602147,
"formula_full": "Sr1 Ga4",
"formula_reduced": "SrGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-107259",
"created_at": "2022-09-04T14:36:59.956822Z",
"updated_at": "2022-09-04T14:36:59.956839Z",
"structure_string": "Sr1 Ga4 Au3\n1.0\n4.399818 0.000000 0.000000\n0.000000 4.399818 0.000000\n0.000000 0.000000 8.844587\nSr Ga Au\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.172891 Ga\n-0.000000 0.500000 0.827109 Ga\n0.500000 0.000000 0.172891 Ga\n0.500000 0.000000 0.827109 Ga\n0.500000 0.500000 0.342398 Au\n0.500000 0.500000 0.657602 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Sr",
"density": 9.285404948259213,
"density_atomic": 0.04672432160376044,
"volume": 171.2170391224289,
"volume_molar": 12.888663876321171,
"formula_full": "Sr1 Ga4 Au3",
"formula_reduced": "SrGa4Au3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-114291",
"created_at": "2022-09-04T14:38:40.425133Z",
"updated_at": "2022-09-04T14:38:40.425159Z",
"structure_string": "Sr1 Ge1 H1\n1.0\n3.469806 0.000000 0.000000\n-0.000000 3.469806 0.000000\n0.000000 0.000000 6.937933\nSr Ge H\n1 1 1\ndirect\n0.000000 0.000000 -0.000689 Sr\n0.000000 0.000000 0.429404 Ge\n0.000000 0.000000 0.659988 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ge",
"H"
],
"chemical_system": "Ge-H-Sr",
"density": 3.2059492779956824,
"density_atomic": 0.03591540481297587,
"volume": 83.52961676534217,
"volume_molar": 16.767570326324883,
"formula_full": "Sr1 Ge1 H1",
"formula_reduced": "SrGeH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9571940866666666,
"spacegroup": 99
},
{
"id": "jvasp-114290",
"created_at": "2022-09-04T14:38:40.398755Z",
"updated_at": "2022-09-04T14:38:40.398766Z",
"structure_string": "Sr1 Ge1 H1\n1.0\n3.846923 1.755976 0.000000\n1.852296 6.119103 0.000000\n0.000000 0.000000 3.697620\nSr Ge H\n1 1 1\ndirect\n-0.052878 0.454823 0.000000 Sr\n-0.066353 -0.045189 0.000000 Ge\n0.322510 -0.045167 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
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],
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"density": 3.5698850366724133,
"density_atomic": 0.039992481199837504,
"volume": 75.01410040075707,
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"formula_full": "Sr1 Ge1 H1",
"formula_reduced": "SrGeH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8056907533333333,
"spacegroup": 25
}
]
}