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=-nelements&page=1103",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1101",
"results": [
{
"id": "jvasp-112557",
"created_at": "2022-09-04T14:38:41.429439Z",
"updated_at": "2022-09-04T14:38:41.429465Z",
"structure_string": "U2 Al20 Ru4\n1.0\n6.838429 0.003276 0.000000\n-0.886949 6.780667 0.000000\n0.000000 -0.000000 9.139670\nU Al Ru\n2 20 4\ndirect\n0.878339 0.121662 0.750000 U\n0.121661 0.878339 0.250000 U\n0.218633 0.479917 0.750000 Al\n0.479917 0.218633 0.250000 Al\n0.781367 0.520084 0.250000 Al\n0.520083 0.781368 0.750000 Al\n0.856713 0.588247 0.750000 Al\n0.588246 0.856713 0.250000 Al\n0.143287 0.411754 0.250000 Al\n0.411754 0.143288 0.750000 Al\n0.155292 0.844708 0.898995 Al\n0.844708 0.155293 0.101005 Al\n0.844708 0.155293 0.398995 Al\n0.375841 0.624160 0.451525 Al\n0.624159 0.375841 0.548475 Al\n0.375841 0.624160 0.048475 Al\n0.624159 0.375841 0.951525 Al\n0.222538 0.222538 0.500000 Al\n0.222538 0.222538 -0.000000 Al\n0.777462 0.777463 0.500000 Al\n0.777462 0.777463 -0.000000 Al\n0.155292 0.844708 0.601005 Al\n0.500000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n-0.000000 0.500000 -0.000000 Ru\n-0.000000 0.500000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-U",
"density": 5.563413606266263,
"density_atomic": 0.061346086183005716,
"volume": 423.82491887807834,
"volume_molar": 9.816666611843727,
"formula_full": "U2 Al20 Ru4",
"formula_reduced": "U(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.978945769230769,
"spacegroup": 63
},
{
"id": "jvasp-114338",
"created_at": "2022-09-04T14:38:41.514585Z",
"updated_at": "2022-09-04T14:38:41.514609Z",
"structure_string": "Mg1 Si1 N2\n1.0\n2.955592 0.000000 -0.000000\n-0.000000 2.955592 0.000000\n-0.000000 -0.000000 3.949277\nMg Si N\n1 1 2\ndirect\n0.500000 0.500000 0.502496 Mg\n0.000000 0.000000 0.002492 Si\n0.000000 0.000000 0.502505 N\n0.500000 0.500000 0.002506 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si",
"density": 3.870077406221159,
"density_atomic": 0.11594537528857991,
"volume": 34.49900429442986,
"volume_molar": 5.193946498522528,
"formula_full": "Mg1 Si1 N2",
"formula_reduced": "MgSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0008760374999994,
"spacegroup": 123
},
{
"id": "jvasp-114928",
"created_at": "2022-09-04T14:38:42.448166Z",
"updated_at": "2022-09-04T14:38:42.448192Z",
"structure_string": "Na1 Nb1 F4\n1.0\n-2.113024 2.113024 5.263254\n2.113024 -2.113024 5.263254\n2.113024 2.113024 -5.263254\nNa Nb F\n1 1 4\ndirect\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Nb\n0.303938 0.303938 0.000000 F\n0.696061 0.696061 0.000000 F\n0.489553 0.989552 0.499999 F\n0.010447 0.510446 0.499999 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Nb",
"F"
],
"chemical_system": "F-Na-Nb",
"density": 3.3898284603359983,
"density_atomic": 0.06383047409983669,
"volume": 93.99898848652529,
"volume_molar": 9.434585666057911,
"formula_full": "Na1 Nb1 F4",
"formula_reduced": "NaNbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3176932549999999,
"spacegroup": 119
},
{
"id": "jvasp-116424",
"created_at": "2022-09-04T14:38:42.456552Z",
"updated_at": "2022-09-04T14:38:42.456577Z",
"structure_string": "Cd1 As1 I2\n1.0\n4.459118 0.000000 0.000000\n0.000000 4.459118 0.000000\n0.000000 0.000000 6.325993\nCd As I\n1 1 2\ndirect\n0.500000 0.500000 0.502368 Cd\n0.000000 0.000000 0.002573 As\n0.000000 0.000000 0.502588 I\n0.500000 0.500000 0.002472 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"As",
"I"
],
"chemical_system": "As-Cd-I",
"density": 5.8237190477746275,
"density_atomic": 0.03180045648343327,
"volume": 125.78435790957388,
"volume_molar": 18.937277718441834,
"formula_full": "Cd1 As1 I2",
"formula_reduced": "CdAsI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4247568604166667,
"spacegroup": 123
},
{
"id": "jvasp-116641",
"created_at": "2022-09-04T14:38:42.591398Z",
"updated_at": "2022-09-04T14:38:42.591420Z",
"structure_string": "Tb2 Hf1 Al9\n1.0\n4.211234 -0.000000 0.000000\n0.000000 4.211234 0.000000\n-0.000000 -0.000000 12.606592\nTb Hf Al\n2 1 9\ndirect\n0.000000 0.000000 0.328597 Tb\n0.000000 0.000000 0.671403 Tb\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500000 0.330409 Al\n0.500000 0.500000 0.669591 Al\n0.500000 0.000000 0.158446 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.841554 Al\n-0.000000 0.500000 0.158446 Al\n-0.000000 0.500000 0.500000 Al\n-0.000000 0.500000 0.841554 Al\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Hf",
"Al"
],
"chemical_system": "Al-Hf-Tb",
"density": 5.490092428385994,
"density_atomic": 0.05367410366096093,
"volume": 223.57150248468935,
"volume_molar": 11.219825482395743,
"formula_full": "Tb2 Hf1 Al9",
"formula_reduced": "Tb2HfAl9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 2.357684583333334,
"spacegroup": 123
},
{
"id": "jvasp-116609",
"created_at": "2022-09-04T14:38:42.618875Z",
"updated_at": "2022-09-04T14:38:42.618908Z",
"structure_string": "Mg8 B4 O16\n1.0\n3.092723 -0.000000 0.000000\n0.000000 9.353925 0.000000\n-0.000000 -0.000000 9.587329\nMg B O\n8 4 16\ndirect\n0.250000 0.696582 0.106997 Mg\n0.749999 0.303418 0.893003 Mg\n0.749999 0.196582 0.393003 Mg\n0.250000 0.803418 0.606997 Mg\n0.250000 0.065263 0.137942 Mg\n0.749999 0.934737 0.862058 Mg\n0.749999 0.565262 0.362058 Mg\n0.250000 0.434737 0.637943 Mg\n0.250000 0.129260 0.667437 B\n0.749999 0.870739 0.332563 B\n0.749999 0.629260 0.832563 B\n0.250000 0.370740 0.167437 B\n0.749999 0.394291 0.497063 O\n0.250000 0.605709 0.502937 O\n0.250000 0.993335 0.722670 O\n0.749999 0.006664 0.277330 O\n0.749999 0.493336 0.777330 O\n0.250000 0.506664 0.222670 O\n0.250000 0.149002 0.524649 O\n0.749999 0.748472 0.747214 O\n0.749999 0.649002 0.975351 O\n0.250000 0.350998 0.024649 O\n0.250000 0.248472 0.752786 O\n0.749999 0.751527 0.247214 O\n0.749999 0.105709 0.997063 O\n0.250000 0.251527 0.252786 O\n0.749999 0.850997 0.475351 O\n0.250000 0.894291 0.002937 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 2.9556783198667764,
"density_atomic": 0.10095445599584192,
"volume": 277.3527896693659,
"volume_molar": 5.965205498455698,
"formula_full": "Mg8 B4 O16",
"formula_reduced": "Mg2BO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.649236383333333,
"spacegroup": 62
},
{
"id": "jvasp-114604",
"created_at": "2022-09-04T14:38:42.620483Z",
"updated_at": "2022-09-04T14:38:42.620508Z",
"structure_string": "Ca1 Be1 Se1\n1.0\n4.628876 0.000000 0.000000\n0.000000 4.628876 -0.000000\n0.000000 -0.000000 7.464465\nCa Be Se\n1 1 1\ndirect\n0.000000 0.000000 0.660013 Ca\n0.000000 0.000000 0.275731 Be\n0.000000 0.000000 0.008838 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Se"
],
"chemical_system": "Be-Ca-Se",
"density": 1.3294729876222249,
"density_atomic": 0.01875734968696625,
"volume": 159.93730724573433,
"volume_molar": 32.105499233639335,
"formula_full": "Ca1 Be1 Se1",
"formula_reduced": "CaBeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9331899622222224,
"spacegroup": 99
},
{
"id": "jvasp-116380",
"created_at": "2022-09-04T14:38:42.637632Z",
"updated_at": "2022-09-04T14:38:42.637659Z",
"structure_string": "Ba1 As1 Au1\n1.0\n3.221598 -0.000000 0.000000\n0.000000 3.221598 -0.000000\n0.000000 -0.000000 8.710083\nBa As Au\n1 1 1\ndirect\n0.000000 0.000000 0.003620 Ba\n0.000000 0.000000 0.358579 As\n0.000000 0.000000 0.647509 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"As",
"Au"
],
"chemical_system": "As-Au-Ba",
"density": 7.516849135842044,
"density_atomic": 0.033186103800102756,
"volume": 90.39928332866575,
"volume_molar": 18.146573626944882,
"formula_full": "Ba1 As1 Au1",
"formula_reduced": "BaAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.886171763333333,
"spacegroup": 99
},
{
"id": "jvasp-113536",
"created_at": "2022-09-04T14:38:43.057321Z",
"updated_at": "2022-09-04T14:38:43.057348Z",
"structure_string": "Sn1 C1 O1\n1.0\n4.021556 -0.000000 -0.000000\n-2.010778 3.482769 0.000000\n-0.000000 -0.000000 3.041807\nSn C O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"C",
"O"
],
"chemical_system": "C-O-Sn",
"density": 5.718580855694318,
"density_atomic": 0.07041591207816823,
"volume": 42.60400684251196,
"volume_molar": 8.552244204853672,
"formula_full": "Sn1 C1 O1",
"formula_reduced": "SnCO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0765250666666666,
"spacegroup": 187
},
{
"id": "jvasp-116571",
"created_at": "2022-09-04T14:38:43.073276Z",
"updated_at": "2022-09-04T14:38:43.073301Z",
"structure_string": "Ti6 Ga16 Rh7\n1.0\n7.451477 -0.000000 4.302112\n2.483826 7.025320 4.302112\n-0.000000 -0.000000 8.604224\nTi Ga Rh\n6 16 7\ndirect\n0.699085 0.300915 0.300915 Ti\n0.699085 0.300915 0.699084 Ti\n0.699085 0.699085 0.300914 Ti\n0.300916 0.699085 0.699084 Ti\n0.300916 0.699085 0.300915 Ti\n0.300916 0.300915 0.699084 Ti\n0.646798 0.646798 0.646797 Ga\n0.646798 0.646798 0.059607 Ga\n0.646798 0.059607 0.646797 Ga\n0.059608 0.646798 0.646797 Ga\n0.353203 0.353202 0.353202 Ga\n0.353203 0.353202 0.940392 Ga\n0.353203 0.940393 0.353202 Ga\n0.940393 0.353202 0.353202 Ga\n0.876660 0.876659 0.370022 Ga\n0.876660 0.370023 0.876658 Ga\n0.370024 0.876659 0.876658 Ga\n0.123341 0.123341 0.123341 Ga\n0.123341 0.123341 0.629976 Ga\n0.123341 0.629977 0.123341 Ga\n0.629977 0.123341 0.123341 Ga\n0.876660 0.876659 0.876658 Ga\n0.000000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500001 0.500000 -0.000001 Rh\n0.000000 0.500000 0.499999 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Ti",
"density": 7.82710395920627,
"density_atomic": 0.06438397906897815,
"volume": 450.4226116396236,
"volume_molar": 9.353477133726301,
"formula_full": "Ti6 Ga16 Rh7",
"formula_reduced": "Ti6Ga16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.5860061448275864,
"spacegroup": 225
},
{
"id": "jvasp-116634",
"created_at": "2022-09-04T14:38:41.445920Z",
"updated_at": "2022-09-04T14:38:41.445949Z",
"structure_string": "Tm1 Al6 Cr6\n1.0\n6.563937 -0.001188 -1.035045\n-1.619278 4.363005 -4.743281\n-0.008103 0.001188 6.645038\nTm Al Cr\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.345167 -0.000000 0.345167 Al\n0.654834 -0.000000 0.654835 Al\n0.329378 0.329378 0.000000 Al\n0.670623 0.670623 0.000001 Al\n0.810118 0.500000 0.310118 Al\n0.189883 0.500001 0.689884 Al\n-0.000000 0.500001 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 -0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cr\n0.758013 0.258013 0.500001 Cr\n0.241987 0.741988 0.500001 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Tm",
"density": 5.609204073568732,
"density_atomic": 0.06831555476139327,
"volume": 190.29341187969987,
"volume_molar": 8.815182400309299,
"formula_full": "Tm1 Al6 Cr6",
"formula_reduced": "Tm(AlCr)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.790830419230769,
"spacegroup": 71
},
{
"id": "jvasp-114621",
"created_at": "2022-09-04T14:38:41.467466Z",
"updated_at": "2022-09-04T14:38:41.467482Z",
"structure_string": "Ag1 Cl1 O3\n1.0\n2.690224 1.553201 2.854911\n-2.690224 1.553201 2.854911\n-0.000000 -3.106403 2.854911\nAg Cl O\n1 1 3\ndirect\n-0.015572 -0.015572 -0.015572 Ag\n0.495176 0.495176 0.495176 Cl\n0.125245 0.577575 0.577576 O\n0.577576 0.577576 0.125244 O\n0.577575 0.125245 0.577576 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 4.438621227882772,
"density_atomic": 0.06985700829051159,
"volume": 71.57478000212515,
"volume_molar": 8.620668000776616,
"formula_full": "Ag1 Cl1 O3",
"formula_reduced": "AgClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5109183654999998,
"spacegroup": 160
}
]
}