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=updated_at&page=245",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=243",
"results": [
{
"id": "jvasp-22671",
"created_at": "2022-09-04T14:35:48.753900Z",
"updated_at": "2022-09-04T14:35:48.753930Z",
"structure_string": "Na1 Cr1 O2\n1.0\n2.961169 0.141927 4.883452\n1.472404 2.573068 4.883452\n0.231767 0.141927 5.706392\nNa Cr O\n1 1 2\ndirect\n0.499999 0.500002 0.499999 Na\n0.000000 0.000000 0.000000 Cr\n0.264226 0.264227 0.264226 O\n0.735772 0.735776 0.735772 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cr",
"O"
],
"chemical_system": "Cr-Na-O",
"density": 4.614021183045745,
"density_atomic": 0.10388884774061731,
"volume": 38.50268904692187,
"volume_molar": 5.7967153269768446,
"formula_full": "Na1 Cr1 O2",
"formula_reduced": "NaCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.75752585,
"spacegroup": 166
},
{
"id": "jvasp-71508",
"created_at": "2022-09-04T14:35:48.755650Z",
"updated_at": "2022-09-04T14:35:48.755670Z",
"structure_string": "Be1 Ga1 P2\n1.0\n2.632499 0.000000 -0.000000\n0.000000 2.632499 0.000000\n0.000000 0.000000 8.846025\nBe Ga P\n1 1 2\ndirect\n0.000000 0.000000 0.491539 Be\n0.500000 0.500000 0.707201 Ga\n0.000000 0.000000 0.974875 P\n0.500000 0.500000 0.326388 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"P"
],
"chemical_system": "Be-Ga-P",
"density": 3.810704023869781,
"density_atomic": 0.0652492312292394,
"volume": 61.30340426459347,
"volume_molar": 9.229443238714154,
"formula_full": "Be1 Ga1 P2",
"formula_reduced": "BeGaP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.94484735625,
"spacegroup": 99
},
{
"id": "jvasp-69370",
"created_at": "2022-09-04T14:35:48.758051Z",
"updated_at": "2022-09-04T14:35:48.758080Z",
"structure_string": "Ba1 Si2 Mo1\n1.0\n4.436456 0.000000 -0.000000\n-0.000000 4.436456 0.000000\n-0.000000 0.000000 4.450167\nBa Si Mo\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Mo"
],
"chemical_system": "Ba-Mo-Si",
"density": 5.487265575158228,
"density_atomic": 0.045667929839931024,
"volume": 87.58881810540247,
"volume_molar": 13.186804790819254,
"formula_full": "Ba1 Si2 Mo1",
"formula_reduced": "BaSi2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2337497675,
"spacegroup": 123
},
{
"id": "jvasp-63137",
"created_at": "2022-09-04T14:35:48.758271Z",
"updated_at": "2022-09-04T14:35:48.758297Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n8.421745 -2.012976 -0.000753\n8.421745 2.012976 -0.000753\n7.940909 0.000000 3.452510\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.549026 0.549026 0.549028 Ga\n0.450973 0.450973 0.450974 Ga\n0.742565 0.742565 0.742567 As\n0.257434 0.257434 0.257434 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.671265121447622,
"density_atomic": 0.04270464104858885,
"volume": 117.08329299176306,
"volume_molar": 14.101841420814374,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712817139999999,
"spacegroup": 166
},
{
"id": "jvasp-97624",
"created_at": "2022-09-04T14:35:48.758808Z",
"updated_at": "2022-09-04T14:35:48.758827Z",
"structure_string": "Mg18 Si10\n1.0\n7.146364 0.000000 -0.000000\n-3.573182 6.188933 -0.000000\n0.000000 0.000000 12.284887\nMg Si\n18 10\ndirect\n0.321800 0.916849 0.583549 Mg\n0.275236 0.928535 0.250000 Mg\n0.724764 0.071465 0.750000 Mg\n0.928535 0.653299 0.750000 Mg\n0.653299 0.724764 0.250000 Mg\n0.595049 0.678200 0.916452 Mg\n0.916849 0.595049 0.416452 Mg\n0.678200 0.083151 0.416452 Mg\n0.321800 0.916849 0.916452 Mg\n0.083151 0.404950 0.916452 Mg\n0.404950 0.321800 0.416452 Mg\n0.404950 0.321800 0.083548 Mg\n0.083151 0.404950 0.583549 Mg\n0.346700 0.275236 0.750000 Mg\n0.678200 0.083151 0.083548 Mg\n0.916849 0.595049 0.083548 Mg\n0.595049 0.678200 0.583549 Mg\n0.071465 0.346700 0.250000 Mg\n0.333333 0.666667 0.412771 Si\n0.666667 0.333333 0.912772 Si\n0.666667 0.333333 0.587229 Si\n0.333333 0.666667 0.087229 Si\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.102145 Si\n0.000000 0.000000 0.602145 Si\n0.000000 0.000000 0.897856 Si\n0.000000 0.000000 0.397856 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1953819553805105,
"density_atomic": 0.051533062321219104,
"volume": 543.3405029468005,
"volume_molar": 11.685974961981527,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.9932065673469388,
"spacegroup": 176
},
{
"id": "jvasp-93450",
"created_at": "2022-09-04T14:35:48.764311Z",
"updated_at": "2022-09-04T14:35:48.764333Z",
"structure_string": "Cr2 Cl4\n1.0\n0.000000 0.000000 -3.592874\n0.000000 -5.808651 0.000000\n-6.190166 -0.000000 0.000000\nCr Cl\n2 4\ndirect\n0.499999 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.499999 0.777155 0.164531 Cl\n0.499999 0.222845 0.835469 Cl\n0.000000 0.722845 0.664532 Cl\n0.000000 0.277155 0.335469 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 3.1595034257030714,
"density_atomic": 0.046444221135020676,
"volume": 129.18722401560044,
"volume_molar": 12.966394123593306,
"formula_full": "Cr2 Cl4",
"formula_reduced": "CrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1580518450000004,
"spacegroup": 58
},
{
"id": "jvasp-64975",
"created_at": "2022-09-04T14:35:48.764526Z",
"updated_at": "2022-09-04T14:35:48.764548Z",
"structure_string": "Be1 Ge1 S2\n1.0\n-0.000000 3.177105 3.177105\n3.177105 -0.000000 3.177105\n3.177105 3.177105 0.000000\nBe Ge S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.499999 Ge\n0.749999 0.749999 0.749999 S\n0.250000 0.250000 0.250000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"S"
],
"chemical_system": "Be-Ge-S",
"density": 3.7742341850897208,
"density_atomic": 0.062364190794369764,
"volume": 64.13937147343087,
"volume_molar": 9.656408081773233,
"formula_full": "Be1 Ge1 S2",
"formula_reduced": "BeGeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6745655125,
"spacegroup": 225
},
{
"id": "jvasp-1864",
"created_at": "2022-09-04T14:35:48.764692Z",
"updated_at": "2022-09-04T14:35:48.764705Z",
"structure_string": "Na1 Ni1 O2\n1.0\n2.766856 -0.000000 0.745884\n1.288786 2.680214 0.724012\n0.022551 0.019675 5.421111\nNa Ni O\n1 1 2\ndirect\n0.500001 0.499999 0.499998 Na\n0.000000 0.000000 0.000000 Ni\n0.285913 0.231960 0.196215 O\n0.714087 0.768042 0.803783 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.703329654329884,
"density_atomic": 0.09966088169736854,
"volume": 40.1361088912142,
"volume_molar": 6.042632432539486,
"formula_full": "Na1 Ni1 O2",
"formula_reduced": "NaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9597846,
"spacegroup": 12
},
{
"id": "jvasp-91773",
"created_at": "2022-09-04T14:35:48.768784Z",
"updated_at": "2022-09-04T14:35:48.768813Z",
"structure_string": "Sn4 O4\n1.0\n-2.305401 -2.614061 0.000000\n-2.305401 2.614061 0.000000\n0.000000 0.000000 -12.254225\nSn O\n4 4\ndirect\n0.065670 0.934330 0.498965 Sn\n0.934330 0.065670 -0.001035 Sn\n0.436494 0.563505 0.271811 Sn\n0.563505 0.436494 0.771811 Sn\n0.472599 0.527401 0.447835 O\n0.527401 0.472599 0.947835 O\n0.029618 -0.029618 0.322930 O\n-0.029618 0.029618 0.822930 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.05799554714353,
"density_atomic": 0.05416415175326887,
"volume": 147.69916524202173,
"volume_molar": 11.11831454027443,
"formula_full": "Sn4 O4",
"formula_reduced": "SnO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2847775999999999,
"spacegroup": 64
},
{
"id": "jvasp-92812",
"created_at": "2022-09-04T14:35:48.771145Z",
"updated_at": "2022-09-04T14:35:48.771168Z",
"structure_string": "Rb1 W1 O3\n1.0\n4.006874 -0.000000 -0.000000\n0.000000 4.006874 -0.000000\n0.000000 0.000000 4.006874\nRb W O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Rb\n0.000000 0.000000 0.000000 W\n0.499999 0.000000 0.000000 O\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 8.190498295557731,
"density_atomic": 0.07772360694004238,
"volume": 64.3305193473214,
"volume_molar": 7.748148853469456,
"formula_full": "Rb1 W1 O3",
"formula_reduced": "RbWO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5815181,
"spacegroup": 221
},
{
"id": "jvasp-72730",
"created_at": "2022-09-04T14:35:48.775576Z",
"updated_at": "2022-09-04T14:35:48.775606Z",
"structure_string": "K1 Ti1 Be2\n1.0\n-2.354656 2.354656 3.329401\n2.354656 -2.354656 3.329401\n2.354656 2.354656 -3.329401\nK Ti Be\n1 1 2\ndirect\n0.250000 0.750001 0.500001 K\n0.750001 0.250000 0.500001 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ti",
"Be"
],
"chemical_system": "Be-K-Ti",
"density": 2.3611012404468004,
"density_atomic": 0.0541725098710478,
"volume": 73.83818858534701,
"volume_molar": 11.116599128109623,
"formula_full": "K1 Ti1 Be2",
"formula_reduced": "KTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9205296333333333,
"spacegroup": 225
},
{
"id": "jvasp-60893",
"created_at": "2022-09-04T14:35:48.776417Z",
"updated_at": "2022-09-04T14:35:48.776438Z",
"structure_string": "K4 Na2 Al2 P4\n1.0\n-3.150559 3.287059 7.287572\n3.150559 -3.287059 7.287572\n3.150559 3.287059 -7.287572\nK Na Al P\n4 2 2 4\ndirect\n0.442063 0.677006 0.765057 K\n0.557937 0.322994 0.234943 K\n0.088052 0.822994 0.265057 K\n0.911948 0.177006 0.734943 K\n0.500000 0.250000 0.750000 Na\n0.500000 0.750000 0.250000 Na\n0.000000 0.750000 0.750000 Al\n0.000000 0.250000 0.250000 Al\n0.292303 0.093086 0.199216 P\n0.707697 0.906914 0.800784 P\n0.106130 0.406914 0.699216 P\n0.893870 0.593086 0.300784 P\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"P"
],
"chemical_system": "Al-K-Na-P",
"density": 2.0915030264327963,
"density_atomic": 0.039750562608027805,
"volume": 301.8825197099612,
"volume_molar": 15.149825222307173,
"formula_full": "K4 Na2 Al2 P4",
"formula_reduced": "K2NaAlP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.8263514666666667,
"spacegroup": 72
}
]
}