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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=191",
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{
"id": "jvasp-35199",
"created_at": "2022-09-04T14:38:13.200983Z",
"updated_at": "2022-09-04T14:38:13.200995Z",
"structure_string": "Sr3 Ge2 B6 O16\n1.0\n-5.037072 0.012261 -0.002423\n-0.043006 -7.355251 -0.035900\n1.893656 1.958266 8.097154\nSr Ge B O\n3 2 6 16\ndirect\n0.096795 0.094724 0.741665 Sr\n0.903205 0.905275 0.258335 Sr\n-0.000000 0.500000 0.500000 Sr\n0.700652 0.313062 0.052289 Ge\n0.299348 0.686938 0.947711 Ge\n0.730371 0.760076 0.804771 B\n0.269629 0.239923 0.195229 B\n0.539636 0.409915 0.739546 B\n0.540967 0.186796 0.459396 B\n0.459033 0.813204 0.540603 B\n0.460363 0.590085 0.260453 B\n0.264025 0.682431 0.147852 O\n0.029728 0.810468 0.858135 O\n0.970272 0.189531 0.141865 O\n0.669542 0.566654 0.704390 O\n0.330458 0.433346 0.295610 O\n0.735975 0.317568 0.852148 O\n0.293064 0.462851 0.809325 O\n0.186075 0.822180 0.512658 O\n0.410549 0.271413 0.583975 O\n0.589451 0.728586 0.416025 O\n0.813925 0.177820 0.487342 O\n0.382467 0.202712 0.044178 O\n0.376770 0.108814 0.301190 O\n0.623229 0.891186 0.698810 O\n0.706936 0.537148 0.190675 O\n0.617533 0.797287 0.955822 O\n",
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],
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"density": 4.040387500130452,
"density_atomic": 0.09011815709882015,
"volume": 299.60665940375173,
"volume_molar": 6.682494353936188,
"formula_full": "Sr3 Ge2 B6 O16",
"formula_reduced": "Sr3Ge2(B3O8)2",
"formula_anonymous": "A2B3C6D16",
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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",
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"spacegroup": 156
},
{
"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",
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"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-9781",
"created_at": "2022-09-04T14:37:07.162087Z",
"updated_at": "2022-09-04T14:37:07.162105Z",
"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n4.825738 -0.000000 -2.785327\n-1.607640 4.550082 -2.785327\n0.040996 0.057964 5.644123\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Sr\n0.750001 0.249999 0.499999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000001 Sb\n0.792878 0.708494 -0.000001 O\n0.291505 0.792877 -0.000001 O\n0.708495 0.207122 -0.000000 O\n0.207123 0.291505 -0.000000 O\n0.251661 0.251660 0.503321 O\n0.748340 0.748338 0.496677 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ga-O-Sb-Sr",
"density": 6.122952555911735,
"density_atomic": 0.07968821314006902,
"volume": 125.48907305052592,
"volume_molar": 7.557128617521896,
"formula_full": "Sr2 Ga1 Sb1 O6",
"formula_reduced": "Sr2GaSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4945832045000005,
"spacegroup": 87
},
{
"id": "jvasp-9758",
"created_at": "2022-09-04T14:38:09.921045Z",
"updated_at": "2022-09-04T14:38:09.921068Z",
"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n4.867641 -0.000000 2.810333\n1.622547 4.589256 2.810333\n0.000000 0.000000 5.620668\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Sb\n0.249745 0.750256 0.750254 O\n0.249745 0.750256 0.249744 O\n0.750255 0.249745 0.750254 O\n0.249745 0.249745 0.750255 O\n0.750255 0.249745 0.249744 O\n0.750255 0.750256 0.249744 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ga-O-Sb-Sr",
"density": 6.119529707835587,
"density_atomic": 0.07964366589843233,
"volume": 125.55926309008379,
"volume_molar": 7.561355560503572,
"formula_full": "Sr2 Ga1 Sb1 O6",
"formula_reduced": "Sr2GaSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4959532045000004,
"spacegroup": 225
},
{
"id": "jvasp-9977",
"created_at": "2022-09-04T14:37:18.321803Z",
"updated_at": "2022-09-04T14:37:18.321824Z",
"structure_string": "Sr6 Ga2 O8 F2\n1.0\n6.047642 -0.000000 -3.098023\n-1.587022 5.835695 -3.098023\n0.013522 0.017691 7.478201\nSr Ga O F\n6 2 8 2\ndirect\n0.250000 0.250000 0.500000 Sr\n0.166089 0.666089 0.000000 Sr\n0.333911 0.166089 0.000000 Sr\n0.666089 0.833910 0.000000 Sr\n0.833911 0.333911 0.000000 Sr\n0.750000 0.749999 0.500000 Sr\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.495348 0.995347 0.288098 O\n0.995348 0.792749 0.288098 O\n0.292750 0.495348 0.288098 O\n0.004652 0.207250 0.711902 O\n0.707249 0.504652 0.711902 O\n0.504652 0.004652 0.711902 O\n0.207250 0.707249 0.711902 O\n0.792750 0.292750 0.288098 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-O-Sr",
"density": 5.21635855145308,
"density_atomic": 0.06803106196030848,
"volume": 264.5850216258829,
"volume_molar": 8.852045795659505,
"formula_full": "Sr6 Ga2 O8 F2",
"formula_reduced": "Sr3GaO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6330339486111113,
"spacegroup": 140
},
{
"id": "jvasp-37304",
"created_at": "2022-09-04T14:38:02.722032Z",
"updated_at": "2022-09-04T14:38:02.722050Z",
"structure_string": "Sr1 Ga1 Ge1 H1\n1.0\n2.121122 -3.673891 -0.000000\n2.121122 3.673891 0.000000\n0.000000 0.000000 4.986932\nSr Ga Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 0.999448 Sr\n0.666666 0.333333 0.558483 Ga\n0.333333 0.666666 0.434632 Ge\n0.666666 0.333333 0.913038 H\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Ge-H-Sr",
"density": 4.9350173746604025,
"density_atomic": 0.05146412979404471,
"volume": 77.72403839349226,
"volume_molar": 11.701627491031365,
"formula_full": "Sr1 Ga1 Ge1 H1",
"formula_reduced": "SrGaGeH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.45554114625,
"spacegroup": 156
},
{
"id": "jvasp-26788",
"created_at": "2022-09-04T14:38:30.447805Z",
"updated_at": "2022-09-04T14:38:30.447836Z",
"structure_string": "Sr2 Ga4 B4 O14\n1.0\n5.730987 0.000000 0.000000\n0.000000 6.860283 -2.356851\n0.000000 -0.003502 7.253841\nSr Ga B O\n2 4 4 14\ndirect\n0.250000 0.816383 0.816383 Sr\n0.750000 0.183617 0.183617 Sr\n0.750000 0.123420 0.705510 Ga\n0.250000 0.294490 0.876580 Ga\n0.750000 0.705510 0.123420 Ga\n0.250000 0.876580 0.294490 Ga\n0.250000 0.296054 0.513952 B\n0.250000 0.513952 0.296054 B\n0.750000 0.486048 0.703946 B\n0.750000 0.703946 0.486048 B\n0.500000 0.128424 0.871576 O\n0.750000 0.494857 0.893761 O\n0.750000 0.563645 0.304404 O\n0.250000 0.695596 0.436354 O\n0.750000 0.893761 0.494857 O\n0.250000 0.106239 0.505143 O\n0.000000 0.128424 0.871576 O\n0.000000 0.871576 0.128423 O\n0.750000 0.661213 0.661213 O\n0.750000 0.304404 0.563645 O\n0.500000 0.871576 0.128423 O\n0.250000 0.338787 0.338787 O\n0.250000 0.505143 0.106239 O\n0.250000 0.436355 0.695596 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-Ga-O-Sr",
"density": 4.200860697971544,
"density_atomic": 0.08416737689381888,
"volume": 285.1461086909853,
"volume_molar": 7.154958348764054,
"formula_full": "Sr2 Ga4 B4 O14",
"formula_reduced": "SrGa2B2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.268559218888889,
"spacegroup": 63
},
{
"id": "jvasp-100460",
"created_at": "2022-09-04T14:36:31.496975Z",
"updated_at": "2022-09-04T14:36:31.497003Z",
"structure_string": "Sr2 Fe1 W1 O6\n1.0\n4.774486 0.000000 2.756550\n1.591495 4.501428 2.756550\n0.000000 0.000000 5.513101\nSr Fe W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 W\n0.249815 0.750184 0.249816 O\n0.750184 0.249816 0.750184 O\n0.249816 0.249816 0.750184 O\n0.750184 0.750184 0.249816 O\n0.249815 0.750184 0.750184 O\n0.750184 0.249816 0.249816 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.160285018193575,
"density_atomic": 0.08439702129560889,
"volume": 118.48759407010365,
"volume_molar": 7.135489698039056,
"formula_full": "Sr2 Fe1 W1 O6",
"formula_reduced": "Sr2FeWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.696294912,
"spacegroup": 225
},
{
"id": "jvasp-34489",
"created_at": "2022-09-04T14:37:16.449025Z",
"updated_at": "2022-09-04T14:37:16.449060Z",
"structure_string": "Sr2 Fe1 W1 O6\n1.0\n5.513573 0.002492 0.005825\n2.753154 4.775366 0.011871\n2.752852 1.582761 4.507449\nSr Fe W O\n2 1 1 6\ndirect\n0.750002 0.750004 0.750000 Sr\n0.249996 0.249997 0.249999 Sr\n0.499999 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 W\n0.750091 0.249922 0.750347 O\n0.249907 0.750079 0.249652 O\n0.757578 0.742866 0.242413 O\n0.242421 0.257134 0.757586 O\n0.257000 0.757710 0.742731 O\n0.742998 0.242290 0.257268 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.159989876078188,
"density_atomic": 0.08439354250735753,
"volume": 118.49247825007686,
"volume_molar": 7.135783830232013,
"formula_full": "Sr2 Fe1 W1 O6",
"formula_reduced": "Sr2FeWO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 87
},
{
"id": "jvasp-105405",
"created_at": "2022-09-04T14:37:03.321148Z",
"updated_at": "2022-09-04T14:37:03.321164Z",
"structure_string": "Sr2 Fe1 Sn1 O6\n1.0\n4.860364 -0.000000 2.806133\n1.620121 4.582395 2.806133\n-0.000000 -0.000000 5.612265\nSr Fe Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500001 0.500000 Sn\n0.241017 0.241017 0.758984 O\n0.758982 0.758984 0.241017 O\n0.241016 0.758984 0.241017 O\n0.758982 0.241017 0.758984 O\n0.758982 0.241017 0.241017 O\n0.241016 0.758984 0.758983 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Fe-O-Sn-Sr",
"density": 5.922175813081011,
"density_atomic": 0.0800019389431157,
"volume": 124.99697047480767,
"volume_molar": 7.5274935077285585,
"formula_full": "Sr2 Fe1 Sn1 O6",
"formula_reduced": "Sr2FeSnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.831052082,
"spacegroup": 225
},
{
"id": "jvasp-57296",
"created_at": "2022-09-04T14:36:59.711647Z",
"updated_at": "2022-09-04T14:36:59.711665Z",
"structure_string": "Sr1 Fe2 Se4 O12\n1.0\n0.000000 7.031624 -0.005857\n5.358880 0.000000 0.000000\n0.000000 -0.222410 -7.061623\nSr Fe Se O\n1 2 4 12\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.089563 0.500000 0.728554 Se\n0.707324 0.000000 0.910087 Se\n0.292676 0.000000 0.089913 Se\n0.910437 0.500000 0.271446 Se\n0.187617 0.263599 0.592676 O\n0.105899 0.000000 0.236649 O\n0.187617 0.736401 0.592676 O\n0.812382 0.263599 0.407324 O\n0.231226 0.500000 0.933239 O\n0.812382 0.736401 0.407324 O\n0.436793 0.247577 0.183541 O\n0.563207 0.752423 0.816459 O\n0.768773 0.500000 0.066761 O\n0.436793 0.752423 0.183541 O\n0.894100 0.000000 0.763351 O\n0.563207 0.247577 0.816459 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Fe-O-Se-Sr",
"density": 4.412763253905558,
"density_atomic": 0.07140161051352138,
"volume": 266.1004403591422,
"volume_molar": 8.434180569161786,
"formula_full": "Sr1 Fe2 Se4 O12",
"formula_reduced": "SrFe2(SeO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.6406769882456134,
"spacegroup": 10
}
]
}