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=1144",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1142",
"results": [
{
"id": "jvasp-94122",
"created_at": "2022-09-04T14:35:52.417930Z",
"updated_at": "2022-09-04T14:35:52.417956Z",
"structure_string": "Mg6 Nb1 Co1\n1.0\n6.258769 -0.192218 0.000000\n-3.295849 5.324143 0.000000\n0.000000 0.000000 4.690195\nMg Nb Co\n6 1 1\ndirect\n0.179580 0.842868 0.250000 Mg\n0.657131 0.320419 0.250000 Mg\n0.674457 0.825542 0.250000 Mg\n0.318734 0.667118 0.749999 Mg\n0.832881 0.181265 0.749999 Mg\n0.831389 0.668610 0.749999 Mg\n0.305637 0.194362 0.749999 Nb\n0.200190 0.299810 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Co"
],
"chemical_system": "Co-Mg-Nb",
"density": 3.223964253280619,
"density_atomic": 0.05217910912171295,
"volume": 153.31806415742375,
"volume_molar": 11.54128704258396,
"formula_full": "Mg6 Nb1 Co1",
"formula_reduced": "Mg6NbCo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.555261825,
"spacegroup": 38
},
{
"id": "jvasp-100138",
"created_at": "2022-09-04T14:36:37.576370Z",
"updated_at": "2022-09-04T14:36:37.576397Z",
"structure_string": "Mg1 Cu3 Ni1 Se4\n1.0\n5.713491 0.000000 -0.000000\n-0.000000 5.713491 0.000000\n0.000000 -0.000000 5.713491\nMg Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.242102 0.242102 0.242102 Se\n0.757898 0.757898 0.242102 Se\n0.242102 0.757898 0.757898 Se\n0.757898 0.242102 0.757898 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Ni",
"Se"
],
"chemical_system": "Cu-Mg-Ni-Se",
"density": 5.248206045849649,
"density_atomic": 0.04825450518606103,
"volume": 186.51108254654267,
"volume_molar": 12.479955471058437,
"formula_full": "Mg1 Cu3 Ni1 Se4",
"formula_reduced": "MgCu3NiSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5554662518518518,
"spacegroup": 215
},
{
"id": "jvasp-11431",
"created_at": "2022-09-04T14:37:11.452497Z",
"updated_at": "2022-09-04T14:37:11.452507Z",
"structure_string": "Ba4 Ca4 Si4\n1.0\n5.056972 -0.000000 0.000000\n0.000000 8.550379 0.000000\n0.000000 0.000000 9.097116\nBa Ca Si\n4 4 4\ndirect\n0.250000 0.027106 0.175717 Ba\n0.750000 0.972894 0.824283 Ba\n0.250000 0.527106 0.324283 Ba\n0.750000 0.472894 0.675717 Ba\n0.750000 0.358266 0.075451 Ca\n0.250000 0.641734 0.924550 Ca\n0.750000 0.858266 0.424550 Ca\n0.250000 0.141734 0.575451 Ca\n0.250000 0.782886 0.608219 Si\n0.750000 0.217114 0.391782 Si\n0.250000 0.282886 0.891782 Si\n0.750000 0.717114 0.108219 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Si"
],
"chemical_system": "Ba-Ca-Si",
"density": 3.4699338104385595,
"density_atomic": 0.030507147301065775,
"volume": 393.35044609630796,
"volume_molar": 19.740097953339664,
"formula_full": "Ba4 Ca4 Si4",
"formula_reduced": "BaCaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5555249966666664,
"spacegroup": 62
},
{
"id": "jvasp-110856",
"created_at": "2022-09-04T14:38:36.689706Z",
"updated_at": "2022-09-04T14:38:36.689740Z",
"structure_string": "Sn3 Bi1\n1.0\n4.900059 -0.000000 0.000000\n0.000000 4.900059 0.000000\n-0.000000 -0.000000 4.900059\nSn Bi\n3 1\ndirect\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Bi"
],
"chemical_system": "Bi-Sn",
"density": 7.975877398782198,
"density_atomic": 0.03399821089583051,
"volume": 117.65324982117087,
"volume_molar": 17.713110782363398,
"formula_full": "Sn3 Bi1",
"formula_reduced": "Sn3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5555423500000001,
"spacegroup": 221
},
{
"id": "jvasp-21048",
"created_at": "2022-09-04T14:38:32.751292Z",
"updated_at": "2022-09-04T14:38:32.751320Z",
"structure_string": "Y4 Ga12 Pd1\n1.0\n7.053447 0.000000 -2.493770\n-3.526724 6.108465 -2.493770\n-0.000000 -0.000000 7.481312\nY Ga Pd\n4 12 1\ndirect\n0.500000 -0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 -0.000000 Y\n0.500000 0.749999 0.250000 Ga\n0.000000 0.703103 0.703104 Ga\n0.296896 0.296896 -0.000000 Ga\n0.703104 0.703103 -0.000000 Ga\n0.703104 0.000000 0.703104 Ga\n0.000000 0.296896 0.296896 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.500000 0.750000 Ga\n0.750000 0.500000 0.250000 Ga\n0.296896 0.000000 0.296896 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Y",
"density": 6.690416600230452,
"density_atomic": 0.05273970026938723,
"volume": 322.3378197670125,
"volume_molar": 11.418610134755646,
"formula_full": "Y4 Ga12 Pd1",
"formula_reduced": "Y4Ga12Pd",
"formula_anonymous": "AB4C12",
"energy_above_hull": 0.5558103176470587,
"spacegroup": 229
},
{
"id": "jvasp-64542",
"created_at": "2022-09-04T14:35:52.308470Z",
"updated_at": "2022-09-04T14:35:52.308489Z",
"structure_string": "Ba4 Ti1 In1\n1.0\n-0.000000 5.009218 5.009218\n5.009218 -0.000000 5.009218\n5.009218 5.009218 -0.000000\nBa Ti In\n4 1 1\ndirect\n0.125798 0.624735 0.624735 Ba\n0.624735 0.624735 0.624735 Ba\n0.624735 0.125798 0.624735 Ba\n0.624735 0.624735 0.125798 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"In"
],
"chemical_system": "Ba-In-Ti",
"density": 4.703108827172322,
"density_atomic": 0.023867748736252734,
"volume": 251.38525071225496,
"volume_molar": 25.231289412951497,
"formula_full": "Ba4 Ti1 In1",
"formula_reduced": "Ba4TiIn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5558170305555555,
"spacegroup": 216
},
{
"id": "jvasp-99803",
"created_at": "2022-09-04T14:36:16.534031Z",
"updated_at": "2022-09-04T14:36:16.534053Z",
"structure_string": "Li1 Ac2 Sn1\n1.0\n4.952749 0.000000 2.859471\n1.650916 4.669496 2.859471\n-0.000000 -0.000000 5.718941\nLi Ac Sn\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.750001 0.750001 0.749999 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Sn"
],
"chemical_system": "Ac-Li-Sn",
"density": 7.277525638126717,
"density_atomic": 0.030243221381454247,
"volume": 132.26104288126135,
"volume_molar": 19.912365432383798,
"formula_full": "Li1 Ac2 Sn1",
"formula_reduced": "LiAc2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.556052925,
"spacegroup": 225
},
{
"id": "jvasp-1531",
"created_at": "2022-09-04T14:37:01.641821Z",
"updated_at": "2022-09-04T14:37:01.641850Z",
"structure_string": "Rb1 Dy1 S2\n1.0\n3.921249 0.001492 6.943407\n1.826303 3.469987 6.943407\n0.002470 0.001492 7.974150\nRb Dy S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500001 Dy\n0.768653 0.768654 0.768655 S\n0.231346 0.231346 0.231346 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"S"
],
"chemical_system": "Dy-Rb-S",
"density": 4.7809617527813755,
"density_atomic": 0.03690077232633557,
"volume": 108.39881519621353,
"volume_molar": 16.319823083220623,
"formula_full": "Rb1 Dy1 S2",
"formula_reduced": "RbDyS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5561541249999999,
"spacegroup": 166
},
{
"id": "jvasp-16555",
"created_at": "2022-09-04T14:37:43.390663Z",
"updated_at": "2022-09-04T14:37:43.390694Z",
"structure_string": "Sc1 Hg1\n1.0\n3.501785 -0.000000 -0.000000\n0.000000 3.501785 0.000000\n0.000000 0.000000 3.501785\nSc Hg\n1 1\ndirect\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Hg"
],
"chemical_system": "Hg-Sc",
"density": 9.4954023386503,
"density_atomic": 0.046575932794145965,
"volume": 42.94063221104991,
"volume_molar": 12.92972657491663,
"formula_full": "Sc1 Hg1",
"formula_reduced": "ScHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.5562367499999998,
"spacegroup": 221
},
{
"id": "jvasp-106601",
"created_at": "2022-09-04T14:36:41.394689Z",
"updated_at": "2022-09-04T14:36:41.394702Z",
"structure_string": "Sn3 Te1\n1.0\n4.894421 0.000000 0.000000\n0.000000 4.894421 0.000000\n0.000000 0.000000 4.894421\nSn Te\n3 1\ndirect\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Te"
],
"chemical_system": "Sn-Te",
"density": 6.850908240360128,
"density_atomic": 0.03411583633146605,
"volume": 117.247601997395,
"volume_molar": 17.652039075019246,
"formula_full": "Sn3 Te1",
"formula_reduced": "Sn3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5563607166666668,
"spacegroup": 221
},
{
"id": "jvasp-23768",
"created_at": "2022-09-04T14:37:38.443800Z",
"updated_at": "2022-09-04T14:37:38.443830Z",
"structure_string": "Ca2 Cu8 P4\n1.0\n7.334083 -0.000000 0.000000\n-0.000000 7.334083 0.000000\n0.000000 0.000000 3.824158\nCa Cu P\n2 8 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.835155 0.416840 0.000000 Cu\n0.335155 0.083160 0.500000 Cu\n0.583160 0.164845 0.000000 Cu\n0.416840 0.835155 0.000000 Cu\n0.916840 0.664844 0.500000 Cu\n0.083160 0.335155 0.500000 Cu\n0.164845 0.583160 0.000000 Cu\n0.664844 0.916840 0.500000 Cu\n0.718846 0.718846 0.000000 P\n0.281154 0.281154 0.000000 P\n0.781154 0.218846 0.500000 P\n0.218846 0.781154 0.500000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"P"
],
"chemical_system": "Ca-Cu-P",
"density": 5.75118253318786,
"density_atomic": 0.068061351257682,
"volume": 205.69676830240476,
"volume_molar": 8.84810637567277,
"formula_full": "Ca2 Cu8 P4",
"formula_reduced": "Ca(Cu2P)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5564218885714285,
"spacegroup": 136
},
{
"id": "jvasp-74983",
"created_at": "2022-09-04T14:35:46.559900Z",
"updated_at": "2022-09-04T14:35:46.559930Z",
"structure_string": "K2 Be1 Pd1\n1.0\n5.984961 -0.000000 -0.000000\n-0.000000 5.984961 -0.000000\n0.000000 0.000000 3.009872\nK Be Pd\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pd"
],
"chemical_system": "Be-K-Pd",
"density": 2.982279441514645,
"density_atomic": 0.03710131604021941,
"volume": 107.81288716723226,
"volume_molar": 16.231609556576757,
"formula_full": "K2 Be1 Pd1",
"formula_reduced": "K2BePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.55656445,
"spacegroup": 123
}
]
}