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=-created_at&page=97",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=95",
"results": [
{
"id": "jvasp-117806",
"created_at": "2022-09-04T14:38:52.934285Z",
"updated_at": "2022-09-04T14:38:52.934313Z",
"structure_string": "In1 Br1 O2\n1.0\n3.003881 -1.718292 0.034977\n3.003881 1.718292 0.034977\n-1.224458 0.000000 6.138953\nIn Br O\n1 1 2\ndirect\n0.500000 0.500000 0.000001 In\n0.999999 0.999999 0.500001 Br\n0.136275 0.136275 0.836557 O\n0.863724 0.863724 0.163443 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Br",
"O"
],
"chemical_system": "Br-In-O",
"density": 5.9269191342409115,
"density_atomic": 0.06297215131892753,
"volume": 63.52014209807885,
"volume_molar": 9.563180920245815,
"formula_full": "In1 Br1 O2",
"formula_reduced": "InBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8109252687499999,
"spacegroup": 12
},
{
"id": "jvasp-121217",
"created_at": "2022-09-04T14:38:52.928499Z",
"updated_at": "2022-09-04T14:38:52.928517Z",
"structure_string": "Mg1 P1 O1\n1.0\n4.238424 0.000000 -0.000000\n-2.119212 3.670583 0.000000\n-0.000000 0.000000 2.991799\nMg P O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.000000 P\n0.333333 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P",
"density": 2.5429260342148594,
"density_atomic": 0.06445392850731449,
"volume": 46.544874292023145,
"volume_molar": 9.34332615476896,
"formula_full": "Mg1 P1 O1",
"formula_reduced": "MgPO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3563160166666668,
"spacegroup": 187
},
{
"id": "jvasp-120430",
"created_at": "2022-09-04T14:38:52.926557Z",
"updated_at": "2022-09-04T14:38:52.926583Z",
"structure_string": "Ho4 W4 C8\n1.0\n3.357500 0.000000 0.000000\n0.000000 5.718716 0.000000\n-0.000000 0.000000 10.803070\nHo W C\n4 4 8\ndirect\n0.250000 0.587006 0.363167 Ho\n0.250000 0.087006 0.136833 Ho\n0.750000 0.412995 0.636833 Ho\n0.750000 0.912995 0.863167 Ho\n0.250000 0.901667 0.610905 W\n0.250000 0.401667 0.889095 W\n0.750000 0.098333 0.389095 W\n0.750000 0.598334 0.110905 W\n0.250000 0.659339 0.747050 C\n0.250000 0.159339 0.752950 C\n0.750000 0.340662 0.252950 C\n0.750000 0.840662 0.247050 C\n0.250000 0.225756 0.485147 C\n0.250000 0.725756 0.014853 C\n0.750000 0.774245 0.514853 C\n0.750000 0.274244 0.985147 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"W",
"C"
],
"chemical_system": "C-Ho-W",
"density": 11.937506076973719,
"density_atomic": 0.07713620028227512,
"volume": 207.4253066841379,
"volume_molar": 7.807152462737795,
"formula_full": "Ho4 W4 C8",
"formula_reduced": "HoWC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.259816391666666,
"spacegroup": 62
},
{
"id": "jvasp-121197",
"created_at": "2022-09-04T14:38:52.926550Z",
"updated_at": "2022-09-04T14:38:52.926566Z",
"structure_string": "Li1 Te2\n1.0\n6.158255 0.177748 -0.106649\n1.347385 -3.557746 0.707264\n-0.180163 3.264249 -4.396005\nLi Te\n1 2\ndirect\n0.925763 0.836445 0.890493 Li\n0.675030 0.088867 0.515913 Te\n0.175994 0.585054 0.265573 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Te"
],
"chemical_system": "Li-Te",
"density": 5.261874405253068,
"density_atomic": 0.03626416509530277,
"volume": 82.72629445944655,
"volume_molar": 16.606312992933177,
"formula_full": "Li1 Te2",
"formula_reduced": "LiTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5951518444444445,
"spacegroup": 139
},
{
"id": "jvasp-120108",
"created_at": "2022-09-04T14:38:52.926483Z",
"updated_at": "2022-09-04T14:38:52.926509Z",
"structure_string": "Zn2 Cl2 O2\n1.0\n4.411451 -0.000000 0.000000\n0.000000 4.411451 -0.000000\n-0.000000 -0.000000 5.294067\nZn Cl O\n2 2 2\ndirect\n0.000000 0.499999 0.223728 Zn\n0.499999 0.000000 0.776272 Zn\n0.499999 0.499999 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.499999 0.570547 O\n0.499999 0.000000 0.429454 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.7670191269440534,
"density_atomic": 0.0582369869843482,
"volume": 103.02730808536786,
"volume_molar": 10.340749190232858,
"formula_full": "Zn2 Cl2 O2",
"formula_reduced": "ZnClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1807659891666668,
"spacegroup": 129
},
{
"id": "jvasp-120506",
"created_at": "2022-09-04T14:38:52.924678Z",
"updated_at": "2022-09-04T14:38:52.924713Z",
"structure_string": "Sb4 Te4 Pt4\n1.0\n6.662989 -0.000000 0.000000\n0.000000 6.662989 0.000000\n0.000000 0.000000 6.662989\nSb Te Pt\n4 4 4\ndirect\n0.127157 0.872843 0.372843 Sb\n0.872843 0.372843 0.127157 Sb\n0.372843 0.127157 0.872843 Sb\n0.627157 0.627157 0.627157 Sb\n0.872690 0.127310 0.627310 Te\n0.127310 0.627310 0.872690 Te\n0.627310 0.872690 0.127310 Te\n0.372690 0.372690 0.372690 Te\n0.506073 0.493927 0.993927 Pt\n0.493927 0.993927 0.506073 Pt\n0.993927 0.506073 0.493927 Pt\n0.006073 0.006073 0.006073 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Pt"
],
"chemical_system": "Pt-Sb-Te",
"density": 9.979731283300982,
"density_atomic": 0.04056709949225301,
"volume": 295.8062111956416,
"volume_molar": 14.844888679187015,
"formula_full": "Sb4 Te4 Pt4",
"formula_reduced": "SbTePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3931050888888894,
"spacegroup": 198
},
{
"id": "jvasp-118428",
"created_at": "2022-09-04T14:38:52.919036Z",
"updated_at": "2022-09-04T14:38:52.919061Z",
"structure_string": "H3 Pb2 I1\n1.0\n4.229000 0.000000 -0.000000\n-2.114500 3.662421 0.000000\n-0.000000 0.000000 7.578396\nH Pb I\n3 2 1\ndirect\n0.000000 0.000000 0.500000 H\n0.666666 0.333333 0.622189 H\n0.333333 0.666666 0.377812 H\n0.666666 0.333333 0.327966 Pb\n0.333333 0.666666 0.672035 Pb\n0.000000 0.000000 0.000000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"H",
"Pb",
"I"
],
"chemical_system": "H-I-Pb",
"density": 7.700638883285637,
"density_atomic": 0.0511173115545047,
"volume": 117.37706498125196,
"volume_molar": 11.781020121879433,
"formula_full": "H3 Pb2 I1",
"formula_reduced": "H3Pb2I",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4906263191666669,
"spacegroup": 164
},
{
"id": "jvasp-111789",
"created_at": "2022-09-04T14:38:52.916866Z",
"updated_at": "2022-09-04T14:38:52.916884Z",
"structure_string": "Ni6 Mo4 P2\n1.0\n4.769635 -0.000000 -0.000000\n-2.384818 4.130624 0.000000\n-0.000000 -0.000000 7.402038\nNi Mo P\n6 4 2\ndirect\n0.831640 0.168361 0.250000 Ni\n0.831639 0.663276 0.250000 Ni\n0.336723 0.168361 0.250000 Ni\n0.168361 0.831638 0.750000 Ni\n0.168361 0.336723 0.750000 Ni\n0.663277 0.831638 0.750000 Ni\n0.333333 0.666666 0.435351 Mo\n0.666667 0.333333 0.564649 Mo\n0.666667 0.333333 0.935351 Mo\n0.333333 0.666666 0.064649 Mo\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"P"
],
"chemical_system": "Mo-Ni-P",
"density": 9.085063838668974,
"density_atomic": 0.0822866015136976,
"volume": 145.83176093379498,
"volume_molar": 7.318494930183187,
"formula_full": "Ni6 Mo4 P2",
"formula_reduced": "Ni3Mo2P",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.29543075,
"spacegroup": 194
},
{
"id": "jvasp-122078",
"created_at": "2022-09-04T14:38:52.916150Z",
"updated_at": "2022-09-04T14:38:52.916164Z",
"structure_string": "Fe23 C6\n1.0\n6.354805 -0.000000 3.668949\n2.118268 5.991368 3.668949\n-0.000000 -0.000000 7.337897\nFe C\n23 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.663092 0.000000 -0.000000 Fe\n0.000000 0.663092 -0.000000 Fe\n0.000000 0.000000 0.663092 Fe\n0.336909 0.000000 -0.000000 Fe\n0.336909 0.000000 0.663092 Fe\n0.336909 0.663092 -0.000000 Fe\n0.000000 0.336909 0.663092 Fe\n0.000000 0.336909 -0.000000 Fe\n0.000000 0.663092 0.336909 Fe\n0.663092 0.000000 0.336908 Fe\n0.663092 0.336909 -0.000000 Fe\n0.383223 0.383223 0.383223 Fe\n0.750001 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.336909 Fe\n0.616778 0.149667 0.616777 Fe\n0.149667 0.616778 0.616778 Fe\n0.616778 0.616778 0.149667 Fe\n0.383223 0.383223 0.850333 Fe\n0.383223 0.850333 0.383223 Fe\n0.850334 0.383223 0.383223 Fe\n0.616778 0.616778 0.616777 Fe\n0.277551 0.722449 0.277551 C\n0.277551 0.277551 0.722449 C\n0.722450 0.277551 0.722449 C\n0.277551 0.722449 0.722449 C\n0.722450 0.722449 0.277551 C\n0.722450 0.277551 0.277551 C\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Fe",
"C"
],
"chemical_system": "C-Fe",
"density": 8.062482852066417,
"density_atomic": 0.10380019333467118,
"volume": 279.38290930247683,
"volume_molar": 5.801666226751135,
"formula_full": "Fe23 C6",
"formula_reduced": "Fe23C6",
"formula_anonymous": "A6B23",
"energy_above_hull": null,
"spacegroup": 225
},
{
"id": "jvasp-117804",
"created_at": "2022-09-04T14:38:52.914648Z",
"updated_at": "2022-09-04T14:38:52.914683Z",
"structure_string": "In1 Br2 O1\n1.0\n-2.050373 1.993854 6.119400\n2.050373 -1.993854 6.119400\n2.050373 1.993854 -6.119400\nIn Br O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.657627 0.157627 0.500000 Br\n0.342373 0.842372 0.499998 Br\n-0.000000 0.499998 0.499998 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Br",
"O"
],
"chemical_system": "Br-In-O",
"density": 4.822670646284078,
"density_atomic": 0.039972833043607985,
"volume": 100.06796355005005,
"volume_molar": 15.06558405162377,
"formula_full": "In1 Br2 O1",
"formula_reduced": "InBr2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2893379199999999,
"spacegroup": 71
},
{
"id": "jvasp-120595",
"created_at": "2022-09-04T14:38:52.914009Z",
"updated_at": "2022-09-04T14:38:52.914037Z",
"structure_string": "V4 O2 F14\n1.0\n5.262954 -0.000000 0.000000\n-0.000000 5.572079 0.872392\n-0.000000 -0.309280 8.951907\nV O F\n4 2 14\ndirect\n0.668838 0.178380 0.801471 V\n0.331162 0.178380 0.301471 V\n0.163552 0.832809 0.672146 V\n0.836448 0.832809 0.172145 V\n0.469940 0.958850 0.776869 O\n0.530059 0.958850 0.276869 O\n0.351266 0.649902 0.576063 F\n0.054679 0.611517 0.815431 F\n0.259469 0.104409 0.513578 F\n0.129683 -0.161811 0.078224 F\n-0.012253 0.076019 0.292261 F\n0.740530 0.104409 0.013578 F\n0.012253 0.076019 0.792261 F\n0.273760 0.310203 0.117492 F\n0.494330 0.417792 0.849686 F\n0.505669 0.417792 0.349686 F\n0.648733 0.649902 0.076063 F\n-0.054679 0.611517 0.315431 F\n0.870316 -0.161811 0.578225 F\n0.726240 0.310203 0.617492 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.15663738594439,
"density_atomic": 0.07577479190775815,
"volume": 263.94001879076507,
"volume_molar": 7.94741972677516,
"formula_full": "V4 O2 F14",
"formula_reduced": "V2OF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.9305293877500004,
"spacegroup": 7
},
{
"id": "jvasp-111780",
"created_at": "2022-09-04T14:38:52.913558Z",
"updated_at": "2022-09-04T14:38:52.913594Z",
"structure_string": "Sr4 Zr3 Ti1 O12\n1.0\n5.762668 0.002107 0.003230\n0.003942 5.773380 0.002559\n0.001000 0.003594 8.173257\nSr Zr Ti O\n4 3 1 12\ndirect\n0.503347 0.024836 0.757614 Sr\n0.997074 0.521774 0.758053 Sr\n0.496653 0.975164 0.242387 Sr\n0.002926 0.478226 0.241947 Sr\n-0.000000 -0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ti\n0.202912 0.702463 0.464673 O\n0.276405 0.237619 0.030386 O\n0.238307 0.723550 0.032275 O\n0.297768 0.202947 0.467452 O\n0.797088 0.297537 0.535328 O\n0.066473 0.984187 0.751088 O\n0.933527 0.015813 0.248913 O\n0.560363 0.509924 0.241084 O\n0.702232 0.797052 0.532549 O\n0.439637 0.490076 0.758916 O\n0.723595 0.762381 0.969614 O\n0.761693 0.276450 0.967725 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.276185983580244,
"density_atomic": 0.0735497702231374,
"volume": 271.92471083626,
"volume_molar": 8.187844423891274,
"formula_full": "Sr4 Zr3 Ti1 O12",
"formula_reduced": "Sr4Zr3TiO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569561453666667,
"spacegroup": 2
}
]
}