HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1302",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1300",
"results": [
{
"id": "jvasp-120899",
"created_at": "2022-09-04T14:38:53.470653Z",
"updated_at": "2022-09-04T14:38:53.470672Z",
"structure_string": "Bi1 O1\n1.0\n3.961349 0.000000 -0.000000\n-1.980674 3.430629 0.000000\n-0.000000 -0.000000 3.386611\nBi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.333333 0.666667 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.117278537478969,
"density_atomic": 0.04345580710598759,
"volume": 46.02376835671356,
"volume_molar": 13.858080567488146,
"formula_full": "Bi1 O1",
"formula_reduced": "BiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.7163038999999998,
"spacegroup": 187
},
{
"id": "jvasp-59008",
"created_at": "2022-09-04T14:38:38.621508Z",
"updated_at": "2022-09-04T14:38:38.621543Z",
"structure_string": "Cu12 Sb4 Se12\n1.0\n7.065150 0.000000 0.000000\n0.000000 7.981656 0.000000\n0.000000 0.000000 10.535971\nCu Sb Se\n12 4 12\ndirect\n0.072015 0.667256 0.250000 Cu\n0.572015 0.832745 0.750000 Cu\n0.927985 0.332745 0.750000 Cu\n0.427985 0.167255 0.250000 Cu\n0.227606 0.096361 0.044268 Cu\n0.727606 0.403639 0.955732 Cu\n0.272394 0.596361 0.455732 Cu\n0.772394 0.903639 0.544267 Cu\n0.772394 0.903639 0.955732 Cu\n0.272394 0.596361 0.044268 Cu\n0.727606 0.403639 0.544267 Cu\n0.227606 0.096361 0.455732 Cu\n0.905793 0.242116 0.250000 Sb\n0.405793 0.257884 0.750000 Sb\n0.594207 0.742117 0.250000 Sb\n0.094207 0.757884 0.750000 Sb\n0.341847 0.846597 0.931672 Se\n0.841847 0.653404 0.068328 Se\n0.658153 0.153404 0.431672 Se\n0.158153 0.346596 0.568328 Se\n0.138811 0.984673 0.250000 Se\n0.638811 0.515327 0.750000 Se\n0.361189 0.484673 0.250000 Se\n0.861189 0.015327 0.750000 Se\n0.658153 0.153404 0.068328 Se\n0.158153 0.346596 0.931672 Se\n0.841847 0.653404 0.431672 Se\n0.341847 0.846597 0.568328 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"Se"
],
"chemical_system": "Cu-Sb-Se",
"density": 6.140621571800275,
"density_atomic": 0.04712692157784794,
"volume": 594.1402294598727,
"volume_molar": 12.778557474950185,
"formula_full": "Cu12 Sb4 Se12",
"formula_reduced": "Cu3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.7163096500000001,
"spacegroup": 62
},
{
"id": "jvasp-40859",
"created_at": "2022-09-04T14:37:36.391196Z",
"updated_at": "2022-09-04T14:37:36.391217Z",
"structure_string": "Li2 Pm1 Pb1\n1.0\n0.000000 3.467442 3.467442\n3.467442 -0.000000 3.467442\n3.467442 3.467442 0.000000\nLi Pm Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Li\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Pb"
],
"chemical_system": "Li-Pb-Pm",
"density": 7.290710627782924,
"density_atomic": 0.047973607722979664,
"volume": 83.37917846616264,
"volume_molar": 12.55302872940981,
"formula_full": "Li2 Pm1 Pb1",
"formula_reduced": "Li2PmPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.71648549875,
"spacegroup": 225
},
{
"id": "jvasp-34394",
"created_at": "2022-09-04T14:38:32.810455Z",
"updated_at": "2022-09-04T14:38:32.810488Z",
"structure_string": "Sm8 Br12 O2\n1.0\n4.698096 -8.137341 0.000000\n4.698096 8.137341 -0.000000\n0.000000 -0.000000 7.642166\nSm Br O\n8 12 2\ndirect\n0.195927 0.391855 -0.002561 Sm\n0.195928 0.804073 -0.002561 Sm\n0.804073 0.195928 0.497439 Sm\n0.666667 0.333333 0.828379 Sm\n0.804073 0.608145 0.497439 Sm\n0.391855 0.195927 0.497439 Sm\n0.333333 0.666667 0.328378 Sm\n0.608145 0.804073 -0.002561 Sm\n0.521898 0.043795 0.192293 Br\n0.478102 0.521898 0.692293 Br\n0.865310 0.730619 0.877709 Br\n0.730619 0.865310 0.377709 Br\n0.478103 0.956205 0.692293 Br\n0.865309 0.134691 0.877709 Br\n0.134691 0.269382 0.377709 Br\n0.134691 0.865309 0.377709 Br\n0.521898 0.478102 0.192293 Br\n0.043795 0.521898 0.692293 Br\n0.269382 0.134691 0.877709 Br\n0.956205 0.478103 0.192293 Br\n0.666667 0.333333 0.514490 O\n0.333333 0.666667 0.014490 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Br",
"O"
],
"chemical_system": "Br-O-Sm",
"density": 6.234200607380441,
"density_atomic": 0.0376505925499623,
"volume": 584.3201530176722,
"volume_molar": 15.994810047168913,
"formula_full": "Sm8 Br12 O2",
"formula_reduced": "Sm4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.7165348754545455,
"spacegroup": 186
},
{
"id": "jvasp-30668",
"created_at": "2022-09-04T14:37:38.615818Z",
"updated_at": "2022-09-04T14:37:38.615849Z",
"structure_string": "Y1 Cr1 F5\n1.0\n3.865804 -0.000000 1.421614\n1.598123 5.228248 1.621175\n0.097646 0.031347 5.701427\nY Cr F\n1 1 5\ndirect\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cr\n0.499999 0.824777 0.175224 F\n0.500000 0.175224 0.824777 F\n0.767869 0.232130 0.232130 F\n0.232129 0.767871 0.767871 F\n-0.000000 0.500000 0.500001 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Cr",
"F"
],
"chemical_system": "Cr-F-Y",
"density": 3.4245657005057053,
"density_atomic": 0.061198054079129,
"volume": 114.38272189094461,
"volume_molar": 9.840412167702885,
"formula_full": "Y1 Cr1 F5",
"formula_reduced": "YCrF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.7165577517857139,
"spacegroup": 71
},
{
"id": "jvasp-1564",
"created_at": "2022-09-04T14:36:57.705931Z",
"updated_at": "2022-09-04T14:36:57.705962Z",
"structure_string": "K1 La1 O2\n1.0\n3.554556 -0.009623 5.529835\n1.616791 3.165588 5.529835\n-0.015769 -0.009623 6.573712\nK La O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500001 0.499998 La\n0.768442 0.768445 0.768440 O\n0.231557 0.231558 0.231557 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"La",
"O"
],
"chemical_system": "K-La-O",
"density": 4.683827834956954,
"density_atomic": 0.053726333972892705,
"volume": 74.45138546058578,
"volume_molar": 11.208918075516626,
"formula_full": "K1 La1 O2",
"formula_reduced": "KLaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.716585,
"spacegroup": 166
},
{
"id": "jvasp-118702",
"created_at": "2022-09-04T14:38:28.357953Z",
"updated_at": "2022-09-04T14:38:28.357984Z",
"structure_string": "Mg1 Sb1 O1\n1.0\n3.185271 -0.000000 -0.000000\n-0.000000 3.185271 -0.000000\n-0.000000 0.000000 7.080685\nMg Sb O\n1 1 1\ndirect\n0.000000 0.000000 0.463327 Mg\n0.000000 0.000000 -0.005868 Sb\n0.000000 0.000000 0.722751 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 3.7460077681507817,
"density_atomic": 0.041759299529668496,
"volume": 71.84028548823255,
"volume_molar": 14.421077048290725,
"formula_full": "Mg1 Sb1 O1",
"formula_reduced": "MgSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7166495500000002,
"spacegroup": 99
},
{
"id": "jvasp-67640",
"created_at": "2022-09-04T14:35:53.798428Z",
"updated_at": "2022-09-04T14:35:53.798439Z",
"structure_string": "Be1 Hg1 Se2\n1.0\n3.049785 -0.000000 -0.000000\n-0.000000 3.049785 -0.000000\n0.000000 -0.000000 9.806650\nBe Hg Se\n1 1 2\ndirect\n0.000000 0.000000 0.707604 Be\n0.500001 0.500001 0.256581 Hg\n0.000000 0.000000 0.929970 Se\n0.500001 0.500001 0.605845 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Se"
],
"chemical_system": "Be-Hg-Se",
"density": 6.690730392522525,
"density_atomic": 0.04385315738564584,
"volume": 91.21350065683738,
"volume_molar": 13.732513504195678,
"formula_full": "Be1 Hg1 Se2",
"formula_reduced": "BeHgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7166968583333334,
"spacegroup": 99
},
{
"id": "jvasp-100769",
"created_at": "2022-09-04T14:37:08.805873Z",
"updated_at": "2022-09-04T14:37:08.805893Z",
"structure_string": "Rb4 Ni2 As4\n1.0\n7.838432 -0.069905 0.000000\n-4.802603 6.195233 0.000000\n0.000000 -0.000000 5.943161\nRb Ni As\n4 2 4\ndirect\n0.791445 0.208556 0.250000 Rb\n0.208556 0.791444 0.750000 Rb\n0.404280 0.595720 0.250000 Rb\n0.595720 0.404280 0.750000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.918115 0.721650 0.250000 As\n0.081885 0.278350 0.750000 As\n0.278351 0.081885 0.250000 As\n0.721650 0.918115 0.750000 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"As"
],
"chemical_system": "As-Ni-Rb",
"density": 4.3971131946508555,
"density_atomic": 0.03489061201978915,
"volume": 286.6100484086731,
"volume_molar": 17.260060547474435,
"formula_full": "Rb4 Ni2 As4",
"formula_reduced": "Rb2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7167991799999999,
"spacegroup": 63
},
{
"id": "jvasp-18257",
"created_at": "2022-09-04T14:38:09.625464Z",
"updated_at": "2022-09-04T14:38:09.625488Z",
"structure_string": "Ce2 Zn2 Sb2 O2\n1.0\n4.145998 0.000000 -0.000000\n0.000000 4.145998 0.000000\n-0.000000 0.000000 9.579562\nCe Zn Sb O\n2 2 2 2\ndirect\n0.500000 0.000000 0.378969 Ce\n0.000000 0.500000 0.621031 Ce\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.189659 Sb\n0.500000 0.000000 0.810341 Sb\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Zn",
"Sb",
"O"
],
"chemical_system": "Ce-O-Sb-Zn",
"density": 6.923557958333613,
"density_atomic": 0.04858320459596999,
"volume": 164.66595949217407,
"volume_molar": 12.395519830529128,
"formula_full": "Ce2 Zn2 Sb2 O2",
"formula_reduced": "CeZnSbO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.716811375,
"spacegroup": 129
},
{
"id": "jvasp-70512",
"created_at": "2022-09-04T14:35:45.884536Z",
"updated_at": "2022-09-04T14:35:45.884562Z",
"structure_string": "Be1 In1 Ge1\n1.0\n1.976745 -3.423823 0.000000\n1.976745 3.423823 -0.000000\n0.000000 -0.000000 4.227551\nBe In Ge\n1 1 1\ndirect\n-0.000000 0.000000 0.166571 Be\n0.333332 0.666666 0.666707 In\n0.666666 0.333332 0.166722 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"In",
"Ge"
],
"chemical_system": "Be-Ge-In",
"density": 5.701182452258247,
"density_atomic": 0.052425242683094786,
"volume": 57.22434168087103,
"volume_molar": 11.48710135001801,
"formula_full": "Be1 In1 Ge1",
"formula_reduced": "BeInGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7168306733333333,
"spacegroup": 187
},
{
"id": "jvasp-35963",
"created_at": "2022-09-04T14:36:35.224929Z",
"updated_at": "2022-09-04T14:36:35.224947Z",
"structure_string": "Lu1 Tl1 S2\n1.0\n-1.962038 -3.398351 -0.000000\n-3.924078 -0.000000 -0.000000\n-1.962038 -1.132783 -7.494259\nLu Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.500001 0.500000 Tl\n0.731519 0.731522 0.805438 S\n0.268479 0.268480 0.194562 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tl",
"S"
],
"chemical_system": "Lu-S-Tl",
"density": 7.368665928397617,
"density_atomic": 0.0400244551557863,
"volume": 99.93889946611112,
"volume_molar": 15.046152999610252,
"formula_full": "Lu1 Tl1 S2",
"formula_reduced": "LuTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7168895875000001,
"spacegroup": 166
}
]
}