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=4552",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4550",
"results": [
{
"id": "jvasp-81483",
"created_at": "2022-09-04T14:37:16.268499Z",
"updated_at": "2022-09-04T14:37:16.268508Z",
"structure_string": "Hf2 Tc1 Ir1\n1.0\n-12.148067 0.000001 -7.013689\n-7.293140 -0.429248 -1.395290\n-6.278053 2.441853 -3.153472\nHf Tc Ir\n2 1 1\ndirect\n0.682394 0.000000 -0.000000 Hf\n0.317606 0.000000 -0.000000 Hf\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 -0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Ir"
],
"chemical_system": "Hf-Ir-Tc",
"density": 12.500460934184916,
"density_atomic": 0.04652650450268321,
"volume": 85.97250196969595,
"volume_molar": 12.943462708772156,
"formula_full": "Hf2 Tc1 Ir1",
"formula_reduced": "Hf2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.37475465,
"spacegroup": 139
},
{
"id": "jvasp-87127",
"created_at": "2022-09-04T14:36:18.847612Z",
"updated_at": "2022-09-04T14:36:18.847649Z",
"structure_string": "U4 Al6 C8\n1.0\n3.407909 0.000000 -0.000000\n-1.703954 2.951335 0.000000\n-0.000000 -0.000000 23.368098\nU Al C\n4 6 8\ndirect\n0.333335 0.666668 0.560623 U\n0.333335 0.666668 0.936145 U\n0.666668 0.333334 0.436145 U\n0.666668 0.333334 0.060623 U\n0.000000 0.000000 0.661516 Al\n0.000000 0.000000 0.161516 Al\n0.333335 0.666668 0.248234 Al\n0.666668 0.333334 0.748234 Al\n0.000000 0.000000 0.835211 Al\n0.000000 0.000000 0.335211 Al\n0.333335 0.666668 0.364389 C\n0.333335 0.666668 0.132505 C\n0.666668 0.333334 0.632506 C\n0.000000 0.000000 0.998386 C\n0.000000 0.000000 0.498386 C\n0.000000 0.000000 0.248380 C\n0.666668 0.333334 0.864390 C\n0.000000 0.000000 0.748380 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Al",
"C"
],
"chemical_system": "Al-C-U",
"density": 8.549428326743737,
"density_atomic": 0.07658481051554628,
"volume": 235.03355141612715,
"volume_molar": 7.863361833058973,
"formula_full": "U4 Al6 C8",
"formula_reduced": "U2Al3C4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.374801155555557,
"spacegroup": 194
},
{
"id": "jvasp-37153",
"created_at": "2022-09-04T14:38:03.686932Z",
"updated_at": "2022-09-04T14:38:03.686960Z",
"structure_string": "Nb3 Cr1\n1.0\n3.773596 -0.000000 0.000000\n0.000000 3.773596 -0.000000\n-1.886798 -1.886798 4.782919\nNb Cr\n3 1\ndirect\n0.500001 0.500001 0.000000 Nb\n0.250000 0.750001 0.500000 Nb\n0.750001 0.250000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Cr"
],
"chemical_system": "Cr-Nb",
"density": 8.063052250788495,
"density_atomic": 0.05872948053589952,
"volume": 68.10889460455765,
"volume_molar": 10.254033757916266,
"formula_full": "Nb3 Cr1",
"formula_reduced": "Nb3Cr",
"formula_anonymous": "AB3",
"energy_above_hull": 5.3764214,
"spacegroup": 139
},
{
"id": "jvasp-106069",
"created_at": "2022-09-04T14:36:14.398386Z",
"updated_at": "2022-09-04T14:36:14.398416Z",
"structure_string": "Hf3 N2\n1.0\n3.148633 0.000743 7.350998\n1.508659 2.763665 7.350998\n0.001251 0.000743 7.996942\nHf N\n3 2\ndirect\n0.779567 0.779568 0.779569 Hf\n0.220432 0.220432 0.220432 Hf\n0.000000 0.000000 0.000000 Hf\n0.611690 0.611691 0.611692 N\n0.388309 0.388309 0.388310 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.454554994401098,
"density_atomic": 0.07189672674247813,
"volume": 69.544195216413,
"volume_molar": 8.376098652683156,
"formula_full": "Hf3 N2",
"formula_reduced": "Hf3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.3772951,
"spacegroup": 166
},
{
"id": "jvasp-18731",
"created_at": "2022-09-04T14:37:04.699525Z",
"updated_at": "2022-09-04T14:37:04.699538Z",
"structure_string": "Ir6 W2\n1.0\n2.779603 -4.814414 -0.000000\n2.779603 4.814414 0.000000\n0.000000 -0.000000 4.435762\nIr W\n6 2\ndirect\n0.166512 0.333023 0.250000 Ir\n0.833487 0.666976 0.750000 Ir\n0.833488 0.166511 0.750000 Ir\n0.666976 0.833487 0.250000 Ir\n0.166511 0.833488 0.250000 Ir\n0.333023 0.166512 0.750000 Ir\n0.666666 0.333333 0.250000 W\n0.333333 0.666666 0.750000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"W"
],
"chemical_system": "Ir-W",
"density": 21.273979435633045,
"density_atomic": 0.06738535958006146,
"volume": 118.72015004231136,
"volume_molar": 8.936868182538987,
"formula_full": "Ir6 W2",
"formula_reduced": "Ir3W",
"formula_anonymous": "AB3",
"energy_above_hull": 5.378735825,
"spacegroup": 194
},
{
"id": "jvasp-123537",
"created_at": "2022-09-04T14:38:53.882971Z",
"updated_at": "2022-09-04T14:38:53.882995Z",
"structure_string": "Th1 U3\n1.0\n2.999942 0.000000 0.000000\n0.000000 5.952668 0.000000\n0.000000 0.000000 5.197568\nTh U\n1 3\ndirect\n0.000000 0.108802 0.750000 Th\n0.500000 0.410433 0.250000 U\n0.500000 0.603948 0.750000 U\n0.000000 0.876818 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"U"
],
"chemical_system": "Th-U",
"density": 16.926720378267568,
"density_atomic": 0.043095834222170344,
"volume": 92.81639564926274,
"volume_molar": 13.973834985892797,
"formula_full": "Th1 U3",
"formula_reduced": "ThU3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.3793009000000005,
"spacegroup": 25
},
{
"id": "jvasp-114151",
"created_at": "2022-09-04T14:38:40.483578Z",
"updated_at": "2022-09-04T14:38:40.483604Z",
"structure_string": "Ti1 C2\n1.0\n3.678272 0.000000 0.000000\n-1.839136 3.185477 0.000000\n-0.000000 -0.000000 3.247939\nTi C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666668 0.000000 C\n0.666667 0.333334 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 3.1367632141633903,
"density_atomic": 0.07883064421941491,
"volume": 38.05626643935432,
"volume_molar": 7.63933977659519,
"formula_full": "Ti1 C2",
"formula_reduced": "TiC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.379399444444444,
"spacegroup": 191
},
{
"id": "jvasp-109577",
"created_at": "2022-09-04T14:38:28.417259Z",
"updated_at": "2022-09-04T14:38:28.417280Z",
"structure_string": "Nb2 Cr1 Os1\n1.0\n3.861872 -0.000000 2.229653\n1.287291 3.641007 2.229653\n-0.000000 -0.000000 4.459305\nNb Cr Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.749999 0.750001 0.750000 Nb\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"Os"
],
"chemical_system": "Cr-Nb-Os",
"density": 11.335631767255784,
"density_atomic": 0.06379305853635134,
"volume": 62.702746846989186,
"volume_molar": 9.440119188780375,
"formula_full": "Nb2 Cr1 Os1",
"formula_reduced": "Nb2CrOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3812203,
"spacegroup": 225
},
{
"id": "jvasp-70872",
"created_at": "2022-09-04T14:35:43.853080Z",
"updated_at": "2022-09-04T14:35:43.853097Z",
"structure_string": "Y1 Be1 Mo4\n1.0\n-0.000000 3.772319 3.772319\n3.772319 -0.000000 3.772319\n3.772319 3.772319 -0.000000\nY Be Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n0.122514 0.625829 0.625829 Mo\n0.625829 0.625829 0.625829 Mo\n0.625829 0.122514 0.625829 Mo\n0.625829 0.625829 0.122514 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Y",
"density": 7.44990455061094,
"density_atomic": 0.055885098618549164,
"volume": 107.36314596049587,
"volume_molar": 10.775932956842192,
"formula_full": "Y1 Be1 Mo4",
"formula_reduced": "YBeMo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.381367525000001,
"spacegroup": 216
},
{
"id": "jvasp-37556",
"created_at": "2022-09-04T14:37:55.631931Z",
"updated_at": "2022-09-04T14:37:55.631956Z",
"structure_string": "Ti1 Os3\n1.0\n3.894181 0.000000 -0.000000\n0.000000 3.894181 0.000000\n-0.000000 -0.000000 3.894181\nTi Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 17.393237333733307,
"density_atomic": 0.06773475914557692,
"volume": 59.05387500386794,
"volume_molar": 8.890768692418456,
"formula_full": "Ti1 Os3",
"formula_reduced": "TiOs3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.382160833333333,
"spacegroup": 221
},
{
"id": "jvasp-79224",
"created_at": "2022-09-04T14:37:13.918912Z",
"updated_at": "2022-09-04T14:37:13.918938Z",
"structure_string": "Nb2 Cu1 Re1\n1.0\n-8.461603 -0.000000 -4.885308\n-8.801719 0.041968 5.474407\n-5.774225 8.605016 0.230634\nNb Cu Re\n2 1 1\ndirect\n0.732744 -0.000000 0.000000 Nb\n0.267256 -0.000000 0.000000 Nb\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Cu",
"Re"
],
"chemical_system": "Cu-Nb-Re",
"density": 0.9425655985100435,
"density_atomic": 0.005212772199286486,
"volume": 767.346019944534,
"volume_molar": 115.52664359329378,
"formula_full": "Nb2 Cu1 Re1",
"formula_reduced": "Nb2CuRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3831868125,
"spacegroup": 71
},
{
"id": "jvasp-103845",
"created_at": "2022-09-04T14:37:02.370692Z",
"updated_at": "2022-09-04T14:37:02.370708Z",
"structure_string": "H5 C7 N1 O2\n1.0\n3.821852 -0.072859 -0.054867\n-0.513995 5.444696 -1.777935\n0.099294 -0.035188 6.841616\nH C N O\n5 7 1 2\ndirect\n0.737525 0.258988 0.607455 H\n0.223328 0.807718 0.274790 H\n0.311350 0.938395 0.659394 H\n0.611864 0.115411 0.226384 H\n0.736734 0.605198 0.923039 H\n0.393809 0.765144 0.561859 C\n0.342234 0.690267 0.347795 C\n0.526965 0.606736 0.654191 C\n0.407883 0.451982 0.229854 C\n0.625372 0.377681 0.533225 C\n0.557522 0.297656 0.322559 C\n0.240774 0.336263 0.022147 C\n0.518151 0.667650 0.875948 N\n0.219536 0.465845 0.886635 O\n0.075992 0.130637 0.969927 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5810636615748839,
"density_atomic": 0.10569916604356432,
"volume": 141.91218872831686,
"volume_molar": 5.697434507210731,
"formula_full": "H5 C7 N1 O2",
"formula_reduced": "H5C7NO2",
"formula_anonymous": "AB2C5D7",
"energy_above_hull": 5.383422016666667,
"spacegroup": 1
}
]
}