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=620",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=618",
"results": [
{
"id": "jvasp-115186",
"created_at": "2022-09-04T14:38:45.156573Z",
"updated_at": "2022-09-04T14:38:45.156590Z",
"structure_string": "Li1 B1\n1.0\n2.957389 -0.022148 -0.233446\n1.462460 -1.503613 0.035098\n-0.279714 -0.350479 -3.513051\nLi B\n1 1\ndirect\n0.915492 0.117824 0.086981 Li\n0.415401 0.117924 0.586989 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.8701432130975975,
"density_atomic": 0.1268844713218162,
"volume": 15.762370124295304,
"volume_molar": 4.746160579986251,
"formula_full": "Li1 B1",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.9754362916666668,
"spacegroup": 123
},
{
"id": "jvasp-9131",
"created_at": "2022-09-04T14:38:34.826249Z",
"updated_at": "2022-09-04T14:38:34.826266Z",
"structure_string": "Mg4 Te8\n1.0\n7.081548 -0.000000 -0.000000\n0.000000 7.081548 -0.000000\n-0.000000 -0.000000 7.081548\nMg Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.385802 0.385802 0.385802 Te\n0.114198 0.614198 0.885802 Te\n0.885802 0.114198 0.614198 Te\n0.614198 0.885802 0.114198 Te\n0.614198 0.614198 0.614198 Te\n0.885802 0.385802 0.114198 Te\n0.114198 0.885802 0.385802 Te\n0.385802 0.114198 0.885802 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 5.2277409685619745,
"density_atomic": 0.033790657033375276,
"volume": 355.1277499028064,
"volume_molar": 17.821910814139805,
"formula_full": "Mg4 Te8",
"formula_reduced": "MgTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3795659222222223,
"spacegroup": 205
},
{
"id": "jvasp-57659",
"created_at": "2022-09-04T14:38:34.601449Z",
"updated_at": "2022-09-04T14:38:34.601464Z",
"structure_string": "Y8 C12\n1.0\n6.731179 0.000000 -2.379831\n-3.365590 5.829372 -2.379831\n-0.000000 -0.000000 7.139494\nY C\n8 12\ndirect\n0.101398 0.101398 0.101398 Y\n-0.000000 0.898602 0.500000 Y\n0.500000 0.000000 0.898602 Y\n-0.000000 0.398602 0.500000 Y\n0.500000 -0.000000 0.398602 Y\n0.398602 0.500000 0.000000 Y\n0.601398 0.601397 0.601397 Y\n0.898602 0.500000 0.000000 Y\n0.794252 0.044252 0.750000 C\n0.044252 0.750000 0.794251 C\n0.750000 0.794252 0.044252 C\n0.705748 0.455748 0.250000 C\n0.250000 0.705748 0.455748 C\n0.955748 0.205748 0.750000 C\n0.205748 0.750000 0.955748 C\n0.544252 0.294252 0.250000 C\n0.294252 0.250000 0.544252 C\n0.750000 0.955748 0.205748 C\n0.250000 0.544252 0.294252 C\n0.455748 0.250000 0.705748 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Y",
"C"
],
"chemical_system": "C-Y",
"density": 5.0702037098338915,
"density_atomic": 0.07139201705414329,
"volume": 280.1433665171852,
"volume_molar": 8.435313930733802,
"formula_full": "Y8 C12",
"formula_reduced": "Y2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.008948180000001,
"spacegroup": 220
},
{
"id": "jvasp-39441",
"created_at": "2022-09-04T14:37:53.140343Z",
"updated_at": "2022-09-04T14:37:53.140364Z",
"structure_string": "Ho6 Mg2\n1.0\n3.455235 -5.984643 0.000000\n3.455235 5.984643 0.000000\n-0.000000 -0.000000 5.464023\nHo Mg\n6 2\ndirect\n0.661089 0.830544 0.750000 Ho\n0.169455 0.338910 0.750000 Ho\n0.169455 0.830544 0.750000 Ho\n0.830544 0.169455 0.250000 Ho\n0.830544 0.661089 0.250000 Ho\n0.338910 0.169455 0.250000 Ho\n0.666666 0.333332 0.750000 Mg\n0.333332 0.666666 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 7.629013591464879,
"density_atomic": 0.035402312685023835,
"volume": 225.9739376683214,
"volume_molar": 17.010585759126222,
"formula_full": "Ho6 Mg2",
"formula_reduced": "Ho3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9995993966666664,
"spacegroup": 194
},
{
"id": "jvasp-36423",
"created_at": "2022-09-04T14:37:28.641933Z",
"updated_at": "2022-09-04T14:37:28.641954Z",
"structure_string": "Zr1 N1\n1.0\n1.570357 -2.719939 0.000000\n1.570357 2.719939 -0.000000\n0.000000 0.000000 2.923594\nZr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333334 0.666668 0.499999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.996598300328787,
"density_atomic": 0.0800802424013477,
"volume": 24.97494937610655,
"volume_molar": 7.520133030839392,
"formula_full": "Zr1 N1",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.370683875,
"spacegroup": 187
},
{
"id": "jvasp-35850",
"created_at": "2022-09-04T14:37:34.043444Z",
"updated_at": "2022-09-04T14:37:34.043467Z",
"structure_string": "Dy2 S4\n1.0\n3.863501 0.000000 0.000000\n0.000000 3.863501 0.000000\n0.000000 0.000000 7.921293\nDy S\n2 4\ndirect\n0.500000 0.000000 0.726357 Dy\n0.000000 0.500000 0.273642 Dy\n0.500000 0.000000 0.368096 S\n0.000000 0.500000 0.631904 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"S"
],
"chemical_system": "Dy-S",
"density": 6.365585507023084,
"density_atomic": 0.05074498339543293,
"volume": 118.23828876333818,
"volume_molar": 11.86746030257248,
"formula_full": "Dy2 S4",
"formula_reduced": "DyS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9206421666666668,
"spacegroup": 129
},
{
"id": "jvasp-23863",
"created_at": "2022-09-04T14:37:34.047094Z",
"updated_at": "2022-09-04T14:37:34.047124Z",
"structure_string": "Ca2 Cl4\n1.0\n6.384320 -0.000000 0.000000\n-0.000000 6.384320 0.000000\n0.000000 0.000000 4.160853\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.697516 0.697516 0.000000 Cl\n0.197516 0.802484 0.500000 Cl\n0.302484 0.302484 0.000000 Cl\n0.802484 0.197516 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.173340633346305,
"density_atomic": 0.03537851370817952,
"volume": 169.59446203679263,
"volume_molar": 17.02202870836736,
"formula_full": "Ca2 Cl4",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0020299999999999,
"spacegroup": 136
},
{
"id": "jvasp-58394",
"created_at": "2022-09-04T14:37:34.049183Z",
"updated_at": "2022-09-04T14:37:34.049214Z",
"structure_string": "Si2 O4\n1.0\n4.573010 0.000000 2.640229\n1.524337 4.311475 2.640229\n0.000000 0.000000 5.280457\nSi O\n2 4\ndirect\n0.125000 0.125000 0.125000 Si\n0.875000 0.875001 0.875000 Si\n0.000000 0.500001 -0.000000 O\n0.500000 -0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n-0.000000 -0.000000 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9166400783672197,
"density_atomic": 0.057630410983436235,
"volume": 104.11169897303841,
"volume_molar": 10.44958843297308,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4026318666666668,
"spacegroup": 227
},
{
"id": "jvasp-23824",
"created_at": "2022-09-04T14:37:34.061334Z",
"updated_at": "2022-09-04T14:37:34.061346Z",
"structure_string": "Sc12 P8\n1.0\n3.780542 -0.000000 0.000000\n-0.000000 6.938226 0.000000\n0.000000 0.000000 14.383788\nSc P\n12 8\ndirect\n0.750000 0.135412 0.932434 Sc\n0.750000 0.993041 0.395307 Sc\n0.250000 0.006960 0.604693 Sc\n0.250000 0.506960 0.895307 Sc\n0.750000 0.840229 0.777641 Sc\n0.250000 0.159771 0.222360 Sc\n0.750000 0.493041 0.104693 Sc\n0.250000 0.659772 0.277641 Sc\n0.250000 0.364589 0.432434 Sc\n0.750000 0.635412 0.567567 Sc\n0.250000 0.864589 0.067566 Sc\n0.750000 0.340229 0.722360 Sc\n0.250000 0.130303 0.794700 P\n0.250000 0.758938 0.457417 P\n0.750000 0.241062 0.542583 P\n0.250000 0.258938 0.042583 P\n0.750000 0.741063 0.957417 P\n0.250000 0.630303 0.705301 P\n0.750000 0.369697 0.294700 P\n0.750000 0.869698 0.205300 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.4649109244638683,
"density_atomic": 0.0530095616447476,
"volume": 377.29042420749164,
"volume_molar": 11.360480209888133,
"formula_full": "Sc12 P8",
"formula_reduced": "Sc3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.66061335,
"spacegroup": 62
},
{
"id": "jvasp-58395",
"created_at": "2022-09-04T14:37:34.113652Z",
"updated_at": "2022-09-04T14:37:34.113681Z",
"structure_string": "La2 F6\n1.0\n2.085723 -3.612577 0.000000\n2.085723 3.612577 0.000000\n0.000000 0.000000 7.363769\nLa F\n2 6\ndirect\n0.333332 0.666666 0.250000 La\n0.666666 0.333332 0.750000 La\n0.666666 0.333332 0.079823 F\n0.333332 0.666666 0.579823 F\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n0.666666 0.333332 0.420177 F\n0.333332 0.666666 0.920177 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"F"
],
"chemical_system": "F-La",
"density": 5.862881831059133,
"density_atomic": 0.07209183700674825,
"volume": 110.96956787564105,
"volume_molar": 8.353429472793557,
"formula_full": "La2 F6",
"formula_reduced": "LaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0109174999999999,
"spacegroup": 194
},
{
"id": "jvasp-52777",
"created_at": "2022-09-04T14:37:34.118222Z",
"updated_at": "2022-09-04T14:37:34.118237Z",
"structure_string": "Ti4 H4\n1.0\n4.159603 0.000000 0.000000\n0.000000 4.159603 0.000000\n0.000000 -0.000000 4.616440\nTi H\n4 4\ndirect\n0.749999 0.250000 0.750000 Ti\n0.250000 0.749999 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.749999 0.749999 0.250000 Ti\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.064286972236225,
"density_atomic": 0.10015647382605089,
"volume": 79.87501650561488,
"volume_molar": 6.0127324075517015,
"formula_full": "Ti4 H4",
"formula_reduced": "TiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.944524166666667,
"spacegroup": 131
},
{
"id": "jvasp-23500",
"created_at": "2022-09-04T14:37:34.124164Z",
"updated_at": "2022-09-04T14:37:34.124187Z",
"structure_string": "V4 Sn8\n1.0\n5.446396 0.017693 -0.779591\n-2.873387 4.626790 -0.779591\n-0.004860 -0.008773 9.785951\nV Sn\n4 8\ndirect\n0.252522 0.002522 0.005044 V\n0.997478 0.747478 0.494956 V\n0.747478 0.997478 0.994956 V\n0.002522 0.252522 0.505044 V\n0.958857 0.041144 0.750000 Sn\n0.291144 0.708857 0.750000 Sn\n0.041143 0.958856 0.250000 Sn\n0.708856 0.291143 0.250000 Sn\n0.541021 0.291021 0.582043 Sn\n0.708979 0.458979 0.917957 Sn\n0.458979 0.708979 0.417957 Sn\n0.291021 0.541021 0.082043 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"Sn"
],
"chemical_system": "Sn-V",
"density": 7.753713586917881,
"density_atomic": 0.04857855987981795,
"volume": 247.022555417198,
"volume_molar": 12.396704996810557,
"formula_full": "V4 Sn8",
"formula_reduced": "VSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.525345866666667,
"spacegroup": 70
}
]
}