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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4364",
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"results": [
{
"id": "jvasp-65733",
"created_at": "2022-09-04T14:35:42.647082Z",
"updated_at": "2022-09-04T14:35:42.647109Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n5.919570 -0.000000 -0.000000\n0.000000 5.919570 0.000000\n-0.000000 0.000000 4.043095\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n",
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"density": 2.649061820429524,
"density_atomic": 0.028233565329878925,
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{
"id": "jvasp-66606",
"created_at": "2022-09-04T14:35:40.719381Z",
"updated_at": "2022-09-04T14:35:40.719402Z",
"structure_string": "Ba1 Ga1 Br1\n1.0\n-0.000000 3.929240 3.929240\n3.929240 0.000000 3.929240\n3.929240 3.929240 -0.000000\nBa Ga Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Ba1 Ga1 Br1",
"formula_reduced": "BaGaBr",
"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K",
"density": 2.467699228220312,
"density_atomic": 0.035575876256239695,
"volume": 674.614444550487,
"volume_molar": 16.927596432551034,
"formula_full": "K4 Ga4 Cl16",
"formula_reduced": "KGaCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-91949",
"created_at": "2022-09-04T14:35:42.896315Z",
"updated_at": "2022-09-04T14:35:42.896335Z",
"structure_string": "Ce1 Mg6 Al1\n1.0\n7.047364 0.547824 0.000000\n-3.049254 5.281462 0.000000\n0.000000 0.000000 4.934197\nCe Mg Al\n1 6 1\ndirect\n0.114484 0.807240 0.250000 Ce\n0.631771 0.309769 0.250000 Mg\n0.631771 0.822000 0.250000 Mg\n0.348880 0.169566 0.750000 Mg\n0.348880 0.679315 0.750000 Mg\n0.912997 0.206499 0.750000 Mg\n0.791834 0.645917 0.750000 Mg\n0.219382 0.359690 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Al"
],
"chemical_system": "Al-Ce-Mg",
"density": 2.707877892280883,
"density_atomic": 0.041689451575401916,
"volume": 191.89506452323423,
"volume_molar": 14.445238621352486,
"formula_full": "Ce1 Mg6 Al1",
"formula_reduced": "CeMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-65011",
"created_at": "2022-09-04T14:35:49.892344Z",
"updated_at": "2022-09-04T14:35:49.892370Z",
"structure_string": "Sr1 Mg4 Be1\n1.0\n0.000000 4.242342 4.242342\n4.242342 0.000000 4.242342\n4.242342 4.242342 -0.000000\nSr Mg Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.122625 0.625792 0.625792 Mg\n0.625792 0.625792 0.625792 Mg\n0.625792 0.122625 0.625792 Mg\n0.625792 0.625792 0.122625 Mg\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mg",
"Be"
],
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"density": 2.1080104805516666,
"density_atomic": 0.03929200809869989,
"volume": 152.7028087983757,
"volume_molar": 15.326630150519751,
"formula_full": "Sr1 Mg4 Be1",
"formula_reduced": "SrMg4Be",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-92194",
"created_at": "2022-09-04T14:35:44.174341Z",
"updated_at": "2022-09-04T14:35:44.174369Z",
"structure_string": "Mg6 Zn1 Fe1\n1.0\n6.082481 -0.039688 0.000000\n-3.075612 5.327116 0.000000\n0.000000 0.000000 4.771826\nMg Zn Fe\n6 1 1\ndirect\n0.667619 0.335336 0.250000 Mg\n0.667619 0.832283 0.250000 Mg\n0.322435 0.153441 0.750001 Mg\n0.322436 0.668996 0.750001 Mg\n0.840894 0.170447 0.750001 Mg\n0.848319 0.674160 0.750001 Mg\n0.166859 0.333430 0.250000 Zn\n0.163820 0.831910 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Zn",
"Fe"
],
"chemical_system": "Fe-Mg-Zn",
"density": 2.8792449636505295,
"density_atomic": 0.05193637495204996,
"volume": 154.03462423755926,
"volume_molar": 11.595227363403618,
"formula_full": "Mg6 Zn1 Fe1",
"formula_reduced": "Mg6ZnFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-106133",
"created_at": "2022-09-04T14:35:49.899552Z",
"updated_at": "2022-09-04T14:35:49.899578Z",
"structure_string": "Ba1 In1 Ge1\n1.0\n4.636418 0.000000 0.000000\n-2.318209 4.015256 0.000000\n-0.000000 -0.000000 5.169116\nBa In Ge\n1 1 1\ndirect\n0.000000 0.000000 0.012784 Ba\n0.333333 0.666668 0.561055 In\n0.666667 0.333333 0.426163 Ge\n",
"nsites": 3,
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"elements": [
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"In",
"Ge"
],
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"density": 5.604449492437954,
"density_atomic": 0.03117519319312973,
"volume": 96.23035794566073,
"volume_molar": 19.317092031131775,
"formula_full": "Ba1 In1 Ge1",
"formula_reduced": "BaInGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 156
},
{
"id": "jvasp-3183",
"created_at": "2022-09-04T14:35:44.675609Z",
"updated_at": "2022-09-04T14:35:44.675636Z",
"structure_string": "Sr2 Cu2 S2 F2\n1.0\n3.961285 0.000000 0.000000\n0.000000 3.961285 0.000000\n0.000000 0.000000 8.660582\nSr Cu S F\n2 2 2 2\ndirect\n0.000000 0.499999 0.830133 Sr\n0.499999 0.000000 0.169867 Sr\n0.499999 0.499999 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.499999 0.000000 0.664121 S\n0.000000 0.499999 0.335879 S\n0.499999 0.499999 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"F"
],
"chemical_system": "Cu-F-S-Sr",
"density": 4.942015878566441,
"density_atomic": 0.058866840920721517,
"volume": 135.89993746689993,
"volume_molar": 10.230106908760865,
"formula_full": "Sr2 Cu2 S2 F2",
"formula_reduced": "SrCuSF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Y",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Y",
"density": 4.066338518623428,
"density_atomic": 0.028906965206048317,
"volume": 345.93738667204195,
"volume_molar": 20.832836366855844,
"formula_full": "Rb2 Y1 Ag1 Br6",
"formula_reduced": "Rb2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3918",
"created_at": "2022-09-04T14:35:44.837121Z",
"updated_at": "2022-09-04T14:35:44.837148Z",
"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Sm",
"density": 5.507347472762404,
"density_atomic": 0.034010153722048166,
"volume": 235.2238706528911,
"volume_molar": 17.706890739796794,
"formula_full": "Sm2 Br6",
"formula_reduced": "SmBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-3870",
"created_at": "2022-09-04T14:35:42.506971Z",
"updated_at": "2022-09-04T14:35:42.506982Z",
"structure_string": "Rb2 Se1 Cl6\n1.0\n6.113069 0.000000 3.529382\n2.037690 5.763457 3.529382\n0.000000 0.000000 7.058764\nRb Se Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Se\n0.244263 0.755738 0.755736 Cl\n0.244263 0.755738 0.244262 Cl\n0.755737 0.244263 0.755736 Cl\n0.755737 0.244263 0.244262 Cl\n0.755737 0.755738 0.244262 Cl\n0.244263 0.244263 0.755737 Cl\n",
"nsites": 9,
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],
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"density": 3.088847564696024,
"density_atomic": 0.036188575831946665,
"volume": 248.69726959674804,
"volume_molar": 16.640999601547612,
"formula_full": "Rb2 Se1 Cl6",
"formula_reduced": "Rb2SeCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93086",
"created_at": "2022-09-04T14:35:48.465203Z",
"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
"nsites": 8,
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"volume": 222.28701537073783,
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"formula_full": "Na1 Sr1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
}
]
}