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=3541",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3539",
"results": [
{
"id": "jvasp-20630",
"created_at": "2022-09-04T14:38:12.388353Z",
"updated_at": "2022-09-04T14:38:12.388369Z",
"structure_string": "Zr2 Ag1\n1.0\n3.142998 -0.000000 -0.822961\n-0.215483 3.135603 -0.822961\n0.016096 0.017240 6.474718\nZr Ag\n2 1\ndirect\n0.662592 0.662590 0.325183 Zr\n0.337410 0.337409 0.674818 Zr\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Ag"
],
"chemical_system": "Ag-Zr",
"density": 7.544452978289365,
"density_atomic": 0.04694924824191078,
"volume": 63.89878671841974,
"volume_molar": 12.826916267051406,
"formula_full": "Zr2 Ag1",
"formula_reduced": "Zr2Ag",
"formula_anonymous": "AB2",
"energy_above_hull": 2.429658753333334,
"spacegroup": 139
},
{
"id": "jvasp-12546",
"created_at": "2022-09-04T14:38:12.389814Z",
"updated_at": "2022-09-04T14:38:12.389841Z",
"structure_string": "K2 I2 O8\n1.0\n5.299082 -0.000020 -2.191400\n-0.906195 5.220959 -2.191322\n-0.016353 -0.019327 7.463294\nK I O\n2 2 8\ndirect\n0.624999 0.875001 0.249998 K\n0.375000 0.124998 0.750001 K\n0.874999 0.625005 0.750003 I\n0.125000 0.374995 0.249997 I\n0.931304 0.766967 0.590021 O\n0.823045 0.431311 0.090031 O\n0.266981 0.158715 0.090027 O\n0.658718 0.323052 0.590026 O\n0.341282 0.676948 0.409973 O\n0.733018 0.841285 0.909973 O\n0.176954 0.568688 0.909968 O\n0.068695 0.233033 0.409978 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"I",
"O"
],
"chemical_system": "I-K-O",
"density": 3.7074368252982373,
"density_atomic": 0.05824348829126443,
"volume": 206.03161575746148,
"volume_molar": 10.339594925847225,
"formula_full": "K2 I2 O8",
"formula_reduced": "KIO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5760814604166666,
"spacegroup": 88
},
{
"id": "jvasp-110010",
"created_at": "2022-09-04T14:38:12.396835Z",
"updated_at": "2022-09-04T14:38:12.396869Z",
"structure_string": "Na6 Zn2\n1.0\n6.867465 -0.000000 0.000000\n-3.433732 5.947400 0.000000\n-0.000000 -0.000000 5.424188\nNa Zn\n6 2\ndirect\n0.174176 0.348351 0.250000 Na\n0.651650 0.825825 0.250000 Na\n0.174176 0.825825 0.250000 Na\n0.825825 0.651649 0.750000 Na\n0.348351 0.174175 0.750000 Na\n0.825825 0.174175 0.750000 Na\n0.333334 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Zn"
],
"chemical_system": "Na-Zn",
"density": 2.0144195343486873,
"density_atomic": 0.03611034603643869,
"volume": 221.54315530311612,
"volume_molar": 16.677050820623823,
"formula_full": "Na6 Zn2",
"formula_reduced": "Na3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-44243",
"created_at": "2022-09-04T14:38:12.405583Z",
"updated_at": "2022-09-04T14:38:12.405614Z",
"structure_string": "Li10 Mn2 O8\n1.0\n4.955113 0.000000 0.000000\n0.000000 5.070989 0.000000\n0.000000 0.000000 7.272756\nLi Mn O\n10 2 8\ndirect\n0.939804 0.078544 0.325685 Li\n0.275051 0.418569 0.815154 Li\n0.275051 0.418569 0.184846 Li\n0.439805 0.921456 0.825685 Li\n0.439805 0.921456 0.174315 Li\n0.229955 0.667953 0.500000 Li\n0.775051 0.581432 0.315154 Li\n0.775051 0.581432 0.684847 Li\n0.939804 0.078544 0.674316 Li\n0.729955 0.332047 0.000000 Li\n0.981228 0.845818 0.000000 Mn\n0.481228 0.154182 0.500000 Mn\n0.099899 0.756895 0.758691 O\n0.631663 0.700332 0.000000 O\n0.619691 0.809465 0.500000 O\n0.599899 0.243105 0.258690 O\n0.599899 0.243105 0.741310 O\n0.131664 0.299668 0.500000 O\n0.119691 0.190535 0.000000 O\n0.099899 0.756895 0.241310 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.792157846194959,
"density_atomic": 0.10944218295708989,
"volume": 182.74489287043556,
"volume_molar": 5.502577340184417,
"formula_full": "Li10 Mn2 O8",
"formula_reduced": "Li5MnO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.8797831241379308,
"spacegroup": 31
},
{
"id": "jvasp-14513",
"created_at": "2022-09-04T14:38:12.405792Z",
"updated_at": "2022-09-04T14:38:12.405820Z",
"structure_string": "Ti6 Hg2\n1.0\n5.172939 -0.000000 -0.000000\n0.000000 5.172939 0.000000\n0.000000 0.000000 5.172939\nTi Hg\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750000 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750000 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Hg"
],
"chemical_system": "Hg-Ti",
"density": 8.257841288100096,
"density_atomic": 0.057793356163135086,
"volume": 138.42421570773902,
"volume_molar": 10.420126394807593,
"formula_full": "Ti6 Hg2",
"formula_reduced": "Ti3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4334124000000004,
"spacegroup": 223
},
{
"id": "jvasp-14527",
"created_at": "2022-09-04T14:38:12.407089Z",
"updated_at": "2022-09-04T14:38:12.407104Z",
"structure_string": "La1 P1\n1.0\n3.704685 -0.000000 2.138900\n1.234895 3.492810 2.138900\n0.000000 0.000000 4.277801\nLa P\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"P"
],
"chemical_system": "La-P",
"density": 5.096154195305486,
"density_atomic": 0.036131265191262335,
"volume": 55.35372175352615,
"volume_molar": 16.667395199480428,
"formula_full": "La1 P1",
"formula_reduced": "LaP",
"formula_anonymous": "AB",
"energy_above_hull": 0.7767552499999999,
"spacegroup": 225
},
{
"id": "jvasp-109702",
"created_at": "2022-09-04T14:38:12.412934Z",
"updated_at": "2022-09-04T14:38:12.412949Z",
"structure_string": "Nb4 C3\n1.0\n3.123325 -0.000431 9.981371\n1.524840 2.725807 9.981371\n-0.000736 -0.000431 10.458630\nNb C\n4 3\ndirect\n0.373569 0.373570 0.373569 Nb\n0.624464 0.624466 0.624464 Nb\n0.209320 0.209321 0.209320 Nb\n0.794357 0.794360 0.794357 Nb\n0.503274 0.503276 0.503274 C\n0.995515 0.995518 0.995515 C\n0.084495 0.084496 0.084495 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.599637253358921,
"density_atomic": 0.0785861912659405,
"volume": 89.07417304792861,
"volume_molar": 7.663102973931776,
"formula_full": "Nb4 C3",
"formula_reduced": "Nb4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.461538228571428,
"spacegroup": 160
},
{
"id": "jvasp-77442",
"created_at": "2022-09-04T14:38:12.414562Z",
"updated_at": "2022-09-04T14:38:12.414580Z",
"structure_string": "Mn1 V1 Os2\n1.0\n-9.615171 0.001703 -5.552711\n-6.004016 0.016127 -0.703346\n-5.214018 2.252368 -2.073123\nMn V Os\n1 1 2\ndirect\n0.500000 0.000000 -0.000001 Mn\n0.000000 0.000000 0.000000 V\n0.704889 -0.000092 0.000091 Os\n0.295111 0.000092 -0.000093 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Os"
],
"chemical_system": "Mn-Os-V",
"density": 13.527847265844919,
"density_atomic": 0.0670038875352835,
"volume": 59.69802868368861,
"volume_molar": 8.98774829569226,
"formula_full": "Mn1 V1 Os2",
"formula_reduced": "MnVOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.237717860344828,
"spacegroup": 71
},
{
"id": "jvasp-14769",
"created_at": "2022-09-04T14:38:12.418127Z",
"updated_at": "2022-09-04T14:38:12.418158Z",
"structure_string": "Ta6 Sb2\n1.0\n5.299668 -0.000000 0.000000\n0.000000 5.299668 0.000000\n-0.000000 -0.000000 5.299668\nTa Sb\n6 2\ndirect\n0.250000 0.000000 0.500000 Ta\n0.750000 0.000000 0.500000 Ta\n0.000000 0.500000 0.250000 Ta\n0.000000 0.500000 0.750000 Ta\n0.500000 0.750000 0.000000 Ta\n0.500000 0.250000 0.000000 Ta\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Sb"
],
"chemical_system": "Sb-Ta",
"density": 14.828452045345983,
"density_atomic": 0.05374573362303177,
"volume": 148.84902411252497,
"volume_molar": 11.204872189928242,
"formula_full": "Ta6 Sb2",
"formula_reduced": "Ta3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 5.421963425,
"spacegroup": 223
},
{
"id": "jvasp-17852",
"created_at": "2022-09-04T14:38:12.428711Z",
"updated_at": "2022-09-04T14:38:12.428729Z",
"structure_string": "Pd3 Pb1\n1.0\n4.108499 0.000000 -0.000000\n-0.000000 4.108499 0.000000\n-0.000000 -0.000000 4.108499\nPd Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd",
"density": 12.6056405801013,
"density_atomic": 0.05767803211607489,
"volume": 69.35049364982059,
"volume_molar": 10.440960863367646,
"formula_full": "Pd3 Pb1",
"formula_reduced": "Pd3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2402719800000002,
"spacegroup": 221
},
{
"id": "jvasp-14529",
"created_at": "2022-09-04T14:38:12.429956Z",
"updated_at": "2022-09-04T14:38:12.429986Z",
"structure_string": "Th4 Zn2\n1.0\n4.995986 -0.000000 2.621632\n2.497993 5.393440 1.310816\n-0.008115 -0.000000 6.086652\nTh Zn\n4 2\ndirect\n0.658986 0.182028 0.500000 Th\n0.841013 0.500000 0.817972 Th\n0.341013 0.817972 0.500001 Th\n0.158986 0.500000 0.182029 Th\n0.750001 0.000000 -0.000000 Zn\n0.250000 0.000000 -0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 10.714294579690254,
"density_atomic": 0.03655796226641695,
"volume": 164.12293322792087,
"volume_molar": 16.47285676404368,
"formula_full": "Th4 Zn2",
"formula_reduced": "Th2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": 1.760980766666667,
"spacegroup": 140
},
{
"id": "jvasp-20659",
"created_at": "2022-09-04T14:38:12.431902Z",
"updated_at": "2022-09-04T14:38:12.431925Z",
"structure_string": "Al6 Ir2\n1.0\n2.152585 -3.728386 0.000000\n2.152585 3.728386 -0.000000\n-0.000000 0.000000 7.811652\nAl Ir\n6 2\ndirect\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666666 0.333332 0.421235 Al\n0.333332 0.666666 0.921235 Al\n0.333332 0.666666 0.578764 Al\n0.666666 0.333332 0.078765 Al\n0.666666 0.333332 0.750000 Ir\n0.333332 0.666666 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Ir"
],
"chemical_system": "Al-Ir",
"density": 7.2351027728980055,
"density_atomic": 0.06380223985556793,
"volume": 125.38744749573007,
"volume_molar": 9.43876072945495,
"formula_full": "Al6 Ir2",
"formula_reduced": "Al3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.247239875,
"spacegroup": 194
}
]
}