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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=920",
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"results": [
{
"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",
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{
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"created_at": "2022-09-04T14:38:32.971429Z",
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"structure_string": "Sr2 Ga4 Te8\n1.0\n6.763201 0.001376 0.000000\n-3.357263 5.871088 0.000000\n0.000000 0.000000 11.762222\nSr Ga Te\n2 4 8\ndirect\n0.500000 0.500001 0.250000 Sr\n0.500000 0.500001 0.750000 Sr\n0.242273 0.760564 0.500000 Ga\n0.757728 0.239437 0.500000 Ga\n0.239437 0.757728 0.000000 Ga\n0.760564 0.242273 0.000000 Ga\n0.661873 0.810530 0.000000 Te\n0.338127 0.189471 0.000000 Te\n0.810530 0.661874 0.500000 Te\n0.189471 0.338127 0.500000 Te\n0.500000 0.000000 0.676030 Te\n0.000000 0.500000 0.823970 Te\n0.500000 0.000000 0.323970 Te\n0.000000 0.500000 0.176030 Te\n",
"nsites": 14,
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"elements": [
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"density": 5.24336771465523,
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"volume": 467.1009816330444,
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"formula_full": "Sr2 Ga4 Te8",
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},
{
"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,
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"elements": [
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],
"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-22374",
"created_at": "2022-09-04T14:37:57.196013Z",
"updated_at": "2022-09-04T14:37:57.196033Z",
"structure_string": "Sr4 Ga4 Sn4\n1.0\n2.301771 -3.986786 -0.000000\n2.301771 3.986786 -0.000000\n-0.000000 0.000000 18.693958\nSr Ga Sn\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.250000 Sr\n0.666667 0.333333 0.161793 Ga\n0.333333 0.666667 0.661793 Ga\n0.666667 0.333333 0.338208 Ga\n0.333333 0.666667 0.838208 Ga\n0.333333 0.666667 0.385336 Sn\n0.666667 0.333333 0.885336 Sn\n0.666667 0.333333 0.614664 Sn\n0.333333 0.666667 0.114664 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"chemical_system": "Ga-Sn-Sr",
"density": 5.344231506876646,
"density_atomic": 0.03497558193487491,
"volume": 343.09650722450283,
"volume_molar": 17.21812883975261,
"formula_full": "Sr4 Ga4 Sn4",
"formula_reduced": "SrGaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"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,
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"elements": [
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],
"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",
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"formula_anonymous": "ABCD",
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"spacegroup": 156
},
{
"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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],
"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",
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"spacegroup": 187
},
{
"id": "jvasp-112876",
"created_at": "2022-09-04T14:38:44.175152Z",
"updated_at": "2022-09-04T14:38:44.175169Z",
"structure_string": "Sr2 Ga4 Se8\n1.0\n6.316442 0.032003 0.000000\n-3.164240 5.466813 0.000000\n0.000000 0.000000 10.996780\nSr Ga Se\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Sr\n0.500000 0.499999 0.250000 Sr\n0.763404 0.239568 0.500000 Ga\n0.236595 0.760431 0.500000 Ga\n0.760431 0.236595 -0.000000 Ga\n0.239568 0.763404 -0.000000 Ga\n0.346366 0.187712 0.500000 Se\n0.653633 0.812287 0.500000 Se\n0.812287 0.653633 -0.000000 Se\n0.187712 0.346366 -0.000000 Se\n0.500000 -0.000000 0.828936 Se\n-0.000000 0.500000 0.671064 Se\n0.500000 -0.000000 0.171064 Se\n-0.000000 0.500000 0.328936 Se\n",
"nsites": 14,
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"elements": [
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"Ga",
"Se"
],
"chemical_system": "Ga-Se-Sr",
"density": 4.734342976212804,
"density_atomic": 0.036760720775063295,
"volume": 380.84128125955914,
"volume_molar": 16.38199859259868,
"formula_full": "Sr2 Ga4 Se8",
"formula_reduced": "Sr(GaSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5142877752380952,
"spacegroup": 66
},
{
"id": "jvasp-22035",
"created_at": "2022-09-04T14:37:36.072589Z",
"updated_at": "2022-09-04T14:37:36.072614Z",
"structure_string": "Sr8 Ga16 S32\n1.0\n11.598408 0.015575 -3.104224\n-6.741207 9.438190 -3.104224\n-0.020966 -0.040807 12.123452\nSr Ga S\n8 16 32\ndirect\n0.875000 0.124999 0.250000 Sr\n0.873064 0.623064 0.246131 Sr\n0.376935 0.126935 0.253870 Sr\n0.126935 0.376935 0.753869 Sr\n0.124999 0.875000 0.750000 Sr\n0.624999 0.374999 0.750000 Sr\n0.375000 0.625000 0.250000 Sr\n0.623064 0.873064 0.746131 Sr\n0.888141 0.863131 0.998955 Ga\n0.864177 0.389187 0.501045 Ga\n0.136868 0.111858 0.501045 Ga\n0.610812 0.135822 0.998955 Ga\n0.111858 0.136868 0.001045 Ga\n0.135822 0.610812 0.498955 Ga\n0.389187 0.864178 0.001045 Ga\n0.863131 0.888141 0.498956 Ga\n0.360064 0.467926 0.500368 Ga\n0.967558 0.359696 0.999632 Ga\n0.467927 0.360064 0.000368 Ga\n0.359696 0.967559 0.499633 Ga\n0.639935 0.532073 0.499632 Ga\n0.032441 0.640303 0.000368 Ga\n0.532072 0.639935 0.999632 Ga\n0.640303 0.032440 0.500368 Ga\n0.084476 0.583780 0.665881 S\n0.081404 0.082101 0.665881 S\n0.416219 0.915523 0.834119 S\n0.917898 0.918595 0.834119 S\n0.812432 0.154590 0.997839 S\n0.082101 0.081404 0.165881 S\n0.156751 0.314594 0.502161 S\n0.845409 0.187566 0.502161 S\n0.685404 0.843248 0.997839 S\n0.187567 0.845410 0.002161 S\n0.843248 0.685405 0.497839 S\n0.154590 0.812433 0.497839 S\n0.314595 0.156751 0.002161 S\n0.152390 0.341622 0.002171 S\n0.339450 0.650219 0.497829 S\n0.658378 0.847609 0.497829 S\n0.349780 0.660549 0.002171 S\n0.583780 0.084476 0.165881 S\n0.847609 0.658378 0.997829 S\n0.341621 0.152390 0.502171 S\n0.650219 0.339450 0.997829 S\n0.582159 0.082245 0.666502 S\n0.415742 0.415656 0.833497 S\n0.917754 0.417840 0.833498 S\n0.584342 0.584256 0.666503 S\n0.417840 0.917754 0.333498 S\n0.584257 0.584343 0.166503 S\n0.082245 0.582159 0.166503 S\n0.415657 0.415743 0.333498 S\n0.915523 0.416219 0.334119 S\n0.660549 0.349780 0.502171 S\n0.918595 0.917899 0.334120 S\n",
"nsites": 56,
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"elements": [
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],
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"density": 3.5612084212466573,
"density_atomic": 0.04224928341044348,
"volume": 1325.4662678173972,
"volume_molar": 14.253829352550401,
"formula_full": "Sr8 Ga16 S32",
"formula_reduced": "Sr(GaS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 70
},
{
"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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"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-113626",
"created_at": "2022-09-04T14:38:48.380346Z",
"updated_at": "2022-09-04T14:38:48.380371Z",
"structure_string": "Sr1 Ga1 N1\n1.0\n4.890242 0.000000 0.000000\n0.000000 4.890242 0.000000\n0.000000 0.000000 7.151925\nSr Ga N\n1 1 1\ndirect\n0.000000 0.000000 0.707878 Sr\n0.000000 0.000000 0.256089 Ga\n0.000000 0.000000 0.011576 N\n",
"nsites": 3,
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"elements": [
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"volume": 171.03447310135832,
"volume_molar": 34.33312239429379,
"formula_full": "Sr1 Ga1 N1",
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"spacegroup": 99
},
{
"id": "jvasp-111701",
"created_at": "2022-09-04T14:38:41.683029Z",
"updated_at": "2022-09-04T14:38:41.683055Z",
"structure_string": "Sr4 Ga4 H20\n1.0\n4.718614 0.000000 0.000000\n-0.000000 8.509369 0.000000\n0.000000 0.000000 8.813851\nSr Ga H\n4 4 20\ndirect\n0.749999 0.494188 0.317177 Sr\n0.250000 0.505812 0.682823 Sr\n0.250000 0.005812 0.817177 Sr\n0.749999 0.994188 0.182823 Sr\n0.749999 0.336997 0.916881 Ga\n0.250000 0.663003 0.083119 Ga\n0.250000 0.163003 0.416881 Ga\n0.749999 0.836997 0.583119 Ga\n0.749999 0.974176 0.911689 H\n0.975009 0.725652 0.168861 H\n0.475009 0.274348 0.831139 H\n0.250000 0.714504 0.908403 H\n0.975009 0.225652 0.331139 H\n0.749999 0.285496 0.091596 H\n0.250000 0.025824 0.088311 H\n0.475009 0.774348 0.668861 H\n0.250000 0.525824 0.411689 H\n0.250000 0.475359 0.098222 H\n0.749999 0.024641 0.598222 H\n0.250000 0.975359 0.401778 H\n0.250000 0.214504 0.591596 H\n0.749999 0.524641 0.901778 H\n0.024990 0.274348 0.831139 H\n0.524990 0.725652 0.168861 H\n0.524990 0.225652 0.331139 H\n0.024990 0.774348 0.668861 H\n0.749999 0.474176 0.588311 H\n0.749999 0.785496 0.408403 H\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.047693817222709,
"density_atomic": 0.07911895058357596,
"volume": 353.89751498817816,
"volume_molar": 7.611502320975068,
"formula_full": "Sr4 Ga4 H20",
"formula_reduced": "SrGaH5",
"formula_anonymous": "ABC5",
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"spacegroup": 62
},
{
"id": "jvasp-121047",
"created_at": "2022-09-04T14:38:54.281178Z",
"updated_at": "2022-09-04T14:38:54.281208Z",
"structure_string": "Sr1 Ga1 H2\n1.0\n2.012717 1.162042 4.516645\n-2.012717 1.162042 4.516645\n0.000000 -2.324085 4.516645\nSr Ga H\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.499999 Ga\n0.238567 0.238567 0.238566 H\n0.761434 0.761434 0.761432 H\n",
"nsites": 4,
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],
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"density": 4.174971298422836,
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"volume": 63.382865877326296,
"volume_molar": 9.542513502136496,
"formula_full": "Sr1 Ga1 H2",
"formula_reduced": "SrGaH2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
}
]
}