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=959",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=957",
"results": [
{
"id": "jvasp-11989",
"created_at": "2022-09-04T14:36:56.055000Z",
"updated_at": "2022-09-04T14:36:56.055023Z",
"structure_string": "Mg3 Ni3\n1.0\n-4.309510 2.441414 -0.016600\n-0.040429 -4.952852 0.016600\n-1.403742 2.431352 4.080805\nMg Ni\n3 3\ndirect\n0.500054 0.833389 0.000002 Mg\n0.880290 0.453126 0.380231 Mg\n0.119791 0.213623 0.619771 Mg\n0.499921 0.333308 -0.000026 Ni\n0.499969 0.833303 0.500001 Ni\n0.999972 0.833254 0.000027 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 4.712453093819972,
"density_atomic": 0.0683845854033055,
"volume": 87.73907108764863,
"volume_molar": 8.806283937357772,
"formula_full": "Mg3 Ni3",
"formula_reduced": "MgNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.3782274571428571,
"spacegroup": 166
},
{
"id": "jvasp-18604",
"created_at": "2022-09-04T14:36:56.981134Z",
"updated_at": "2022-09-04T14:36:56.981164Z",
"structure_string": "Er1 Pb1 Au1\n1.0\n4.150671 -0.000000 2.396391\n1.383557 3.913291 2.396391\n-0.000000 -0.000000 4.792783\nEr Pb Au\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Er",
"Pb",
"Au"
],
"chemical_system": "Au-Er-Pb",
"density": 12.188788632470114,
"density_atomic": 0.038536567934356454,
"volume": 77.84813647936235,
"volume_molar": 15.627081192747031,
"formula_full": "Er1 Pb1 Au1",
"formula_reduced": "ErPbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3782394633333331,
"spacegroup": 216
},
{
"id": "jvasp-95440",
"created_at": "2022-09-04T14:36:21.708373Z",
"updated_at": "2022-09-04T14:36:21.708405Z",
"structure_string": "Rb2 Th6 F26\n1.0\n7.479155 0.000000 0.000000\n0.000000 8.197057 0.000000\n0.000000 0.000000 8.699620\nRb Th F\n2 6 26\ndirect\n0.894868 0.500000 0.306382 Rb\n0.105133 0.500000 0.806382 Rb\n0.602403 0.253250 0.665133 Th\n0.602403 0.746750 0.665133 Th\n0.397598 0.746750 0.165133 Th\n0.397598 0.253250 0.165133 Th\n0.108213 0.000000 0.499610 Th\n0.891788 0.000000 0.999610 Th\n0.302925 0.826204 0.637054 F\n0.227713 0.500000 0.132172 F\n0.824517 0.256735 0.857450 F\n0.175484 0.743266 0.357450 F\n0.175484 0.256735 0.357450 F\n0.403084 0.000000 0.039327 F\n0.697076 0.173796 0.137054 F\n0.637122 0.000000 0.820479 F\n0.596917 0.000000 0.539327 F\n0.115899 0.195720 0.042449 F\n0.302925 0.173796 0.637054 F\n0.547755 0.694759 0.402705 F\n0.968987 0.000000 0.263224 F\n0.772287 0.500000 0.632172 F\n0.452246 0.694759 0.902705 F\n0.547755 0.305241 0.402705 F\n0.434849 0.500000 0.650723 F\n0.884101 0.195720 0.542449 F\n0.031014 0.000000 0.763224 F\n0.362878 0.000000 0.320479 F\n0.824517 0.743266 0.857450 F\n0.115899 0.804280 0.042449 F\n0.565151 0.500000 0.150723 F\n0.697076 0.826204 0.137054 F\n0.452246 0.305241 0.902705 F\n0.884101 0.804280 0.542449 F\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Rb",
"Th",
"F"
],
"chemical_system": "F-Rb-Th",
"density": 6.404695222685523,
"density_atomic": 0.06374823210397924,
"volume": 533.3481239847226,
"volume_molar": 9.446757284464505,
"formula_full": "Rb2 Th6 F26",
"formula_reduced": "RbTh3F13",
"formula_anonymous": "AB3C13",
"energy_above_hull": 0.3782901073529413,
"spacegroup": 26
},
{
"id": "jvasp-52150",
"created_at": "2022-09-04T14:37:19.863268Z",
"updated_at": "2022-09-04T14:37:19.863294Z",
"structure_string": "K1 Y3 F10\n1.0\n6.044077 -0.197601 -0.197601\n-0.197601 6.044077 -0.197601\n-0.197601 -0.197601 6.044077\nK Y F\n1 3 10\ndirect\n0.057446 0.057446 0.057446 K\n0.520219 0.009281 0.520219 Y\n0.520219 0.520219 0.009281 Y\n0.009281 0.520219 0.520219 Y\n0.176292 0.465382 0.852104 F\n0.176292 0.852104 0.465382 F\n0.340436 0.340436 0.340436 F\n0.465382 0.176292 0.852104 F\n0.465382 0.852104 0.176292 F\n0.472756 0.760045 0.760045 F\n0.852104 0.176292 0.465382 F\n0.852104 0.465382 0.176292 F\n0.760045 0.472756 0.760045 F\n0.760045 0.760045 0.472756 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Y",
"F"
],
"chemical_system": "F-K-Y",
"density": 3.741026903647531,
"density_atomic": 0.06361555941616198,
"volume": 220.07194668232694,
"volume_molar": 9.466458858915628,
"formula_full": "K1 Y3 F10",
"formula_reduced": "KY3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.3785519138095237,
"spacegroup": 160
},
{
"id": "jvasp-69138",
"created_at": "2022-09-04T14:36:17.278735Z",
"updated_at": "2022-09-04T14:36:17.278762Z",
"structure_string": "Ba2 Sc1 Tl1\n1.0\n0.000000 4.227989 4.227989\n4.227989 0.000000 4.227989\n4.227989 4.227989 0.000000\nBa Sc Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Tl"
],
"chemical_system": "Ba-Sc-Tl",
"density": 5.75629730574798,
"density_atomic": 0.026462352450170794,
"volume": 151.15814089212552,
"volume_molar": 22.757390036807294,
"formula_full": "Ba2 Sc1 Tl1",
"formula_reduced": "Ba2ScTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3785574475,
"spacegroup": 225
},
{
"id": "jvasp-94412",
"created_at": "2022-09-04T14:36:22.633196Z",
"updated_at": "2022-09-04T14:36:22.633213Z",
"structure_string": "Li3 Mg3\n1.0\n3.137154 -0.000000 -0.000000\n-1.568577 2.716854 -0.000000\n0.000000 -0.000000 15.109442\nLi Mg\n3 3\ndirect\n0.333331 0.666666 0.662571 Li\n0.000000 0.000000 0.500000 Li\n0.333331 0.666666 0.337429 Li\n0.333331 0.666666 0.000000 Mg\n0.000000 0.000000 0.825510 Mg\n0.000000 0.000000 0.174490 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2086880147967736,
"density_atomic": 0.04659085554980837,
"volume": 128.7806357963452,
"volume_molar": 12.92558526546476,
"formula_full": "Li3 Mg3",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3786278571428572,
"spacegroup": 187
},
{
"id": "jvasp-107998",
"created_at": "2022-09-04T14:36:21.852430Z",
"updated_at": "2022-09-04T14:36:21.852455Z",
"structure_string": "Tm2 Ga1 Cu1\n1.0\n4.240306 -0.000000 2.448142\n1.413435 3.997798 2.448142\n-0.000000 -0.000000 4.896283\nTm Ga Cu\n2 1 1\ndirect\n0.250001 0.250000 0.249999 Tm\n0.750002 0.750000 0.749998 Tm\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.499999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Tm",
"density": 9.425668040215458,
"density_atomic": 0.04819205378747186,
"volume": 83.00123538291392,
"volume_molar": 12.496128068245003,
"formula_full": "Tm2 Ga1 Cu1",
"formula_reduced": "Tm2GaCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3786431343749999,
"spacegroup": 225
},
{
"id": "jvasp-4095",
"created_at": "2022-09-04T14:36:51.618493Z",
"updated_at": "2022-09-04T14:36:51.618511Z",
"structure_string": "K4 Be1 As2\n1.0\n5.386027 0.011191 7.457973\n2.419574 4.811973 7.457973\n0.018111 0.011191 9.199474\nK Be As\n4 1 2\ndirect\n0.624215 0.624214 0.624215 K\n0.375785 0.375785 0.375785 K\n0.208630 0.208629 0.208630 K\n0.791371 0.791369 0.791370 K\n0.000000 0.000000 0.000000 Be\n0.919441 0.919440 0.919441 As\n0.080559 0.080559 0.080559 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Be",
"As"
],
"chemical_system": "As-Be-K",
"density": 2.2061671923687105,
"density_atomic": 0.029500829171027886,
"volume": 237.28146620619552,
"volume_molar": 20.413462703327035,
"formula_full": "K4 Be1 As2",
"formula_reduced": "K4BeAs2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3786573714285716,
"spacegroup": 166
},
{
"id": "jvasp-36458",
"created_at": "2022-09-04T14:37:27.731834Z",
"updated_at": "2022-09-04T14:37:27.731865Z",
"structure_string": "Sr3 Sb1 As1\n1.0\n6.067802 -0.000000 -0.000000\n0.000000 6.067802 -0.000000\n-0.000000 0.000000 6.067802\nSr Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"As"
],
"chemical_system": "As-Sb-Sr",
"density": 3.4157000584427357,
"density_atomic": 0.02238081008660682,
"volume": 223.4056756950059,
"volume_molar": 26.907608512364725,
"formula_full": "Sr3 Sb1 As1",
"formula_reduced": "Sr3SbAs",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.378661356,
"spacegroup": 221
},
{
"id": "jvasp-63890",
"created_at": "2022-09-04T14:36:07.671001Z",
"updated_at": "2022-09-04T14:36:07.671025Z",
"structure_string": "Ba4 P1 Cl1\n1.0\n-0.000000 4.851225 4.851225\n4.851225 -0.000000 4.851225\n4.851225 4.851225 0.000000\nBa P Cl\n4 1 1\ndirect\n0.122023 0.625993 0.625993 Ba\n0.625993 0.625993 0.625993 Ba\n0.625993 0.122023 0.625993 Ba\n0.625993 0.625993 0.122023 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 4.477736380463053,
"density_atomic": 0.02627646880717137,
"volume": 228.34118404686407,
"volume_molar": 22.918379193921364,
"formula_full": "Ba4 P1 Cl1",
"formula_reduced": "Ba4PCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3786855745833333,
"spacegroup": 216
},
{
"id": "jvasp-10152",
"created_at": "2022-09-04T14:37:15.620717Z",
"updated_at": "2022-09-04T14:37:15.620739Z",
"structure_string": "K6 Si2 Te6\n1.0\n8.042167 0.007927 -2.192684\n-3.470627 7.254741 -2.192684\n0.011874 0.018864 8.850473\nK Si Te\n6 2 6\ndirect\n0.793136 0.793136 0.325027 K\n0.500000 0.000000 0.000000 K\n0.656249 0.343751 0.500000 K\n0.343751 0.656248 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.206863 0.206863 0.674974 K\n0.891457 0.891457 0.859846 Si\n0.108542 0.108542 0.140155 Si\n0.366466 0.366466 0.121575 Te\n0.633533 0.633533 0.878426 Te\n0.945493 0.251606 0.300140 Te\n0.748394 0.054507 0.699861 Te\n0.054506 0.748394 0.699860 Te\n0.251605 0.945493 0.300140 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Si",
"Te"
],
"chemical_system": "K-Si-Te",
"density": 3.3910686190513237,
"density_atomic": 0.027064701360486273,
"volume": 517.2789388483561,
"volume_molar": 22.25090415663023,
"formula_full": "K6 Si2 Te6",
"formula_reduced": "K3SiTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3787694142857141,
"spacegroup": 12
},
{
"id": "jvasp-91839",
"created_at": "2022-09-04T14:36:09.538839Z",
"updated_at": "2022-09-04T14:36:09.538868Z",
"structure_string": "Eu2 Cu2 Sn4\n1.0\n4.135905 -0.000000 -0.956386\n-0.000000 4.716608 0.000000\n0.042750 0.000000 9.605945\nEu Cu Sn\n2 2 4\ndirect\n0.396212 0.750000 0.792423 Eu\n0.603787 0.250000 0.207576 Eu\n0.826743 0.250000 0.653487 Cu\n0.173255 0.750000 0.346512 Cu\n0.756157 0.750000 0.512316 Sn\n0.243842 0.250000 0.487683 Sn\n0.959275 0.250000 0.918553 Sn\n0.040724 0.750000 0.081446 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"Sn"
],
"chemical_system": "Cu-Eu-Sn",
"density": 8.019052246400914,
"density_atomic": 0.04264841048842792,
"volume": 187.5802616880808,
"volume_molar": 14.120434246040723,
"formula_full": "Eu2 Cu2 Sn4",
"formula_reduced": "EuCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3789559624999999,
"spacegroup": 63
}
]
}