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=4397",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4395",
"results": [
{
"id": "jvasp-1327",
"created_at": "2022-09-04T14:35:48.899531Z",
"updated_at": "2022-09-04T14:35:48.899551Z",
"structure_string": "Al1 P1\n1.0\n3.376807 0.000000 1.949600\n1.125603 3.183684 1.949600\n-0.000000 -0.000000 3.899201\nAl P\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"P"
],
"chemical_system": "Al-P",
"density": 2.295780922896858,
"density_atomic": 0.047710962529578835,
"volume": 41.919087227806024,
"volume_molar": 12.622132190828305,
"formula_full": "Al1 P1",
"formula_reduced": "AlP",
"formula_anonymous": "AB",
"energy_above_hull": 1.17635415,
"spacegroup": 216
},
{
"id": "jvasp-91545",
"created_at": "2022-09-04T14:35:48.896947Z",
"updated_at": "2022-09-04T14:35:48.896965Z",
"structure_string": "Nd2 In2 Ni4\n1.0\n0.000000 -4.059680 0.000000\n-5.210918 0.000000 0.000000\n-0.000000 0.000000 -7.154814\nNd In Ni\n2 2 4\ndirect\n0.500000 0.750000 0.272909 Nd\n0.500000 0.250000 0.727091 Nd\n0.000000 0.750000 0.653329 In\n0.000000 0.250000 0.346670 In\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.750000 0.890004 Ni\n0.500000 0.250000 0.109996 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"In",
"Ni"
],
"chemical_system": "In-Nd-Ni",
"density": 8.259967025263714,
"density_atomic": 0.05285494164517969,
"volume": 151.35765457286416,
"volume_molar": 11.39371376176557,
"formula_full": "Nd2 In2 Ni4",
"formula_reduced": "NdInNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6942690675000001,
"spacegroup": 51
},
{
"id": "jvasp-91513",
"created_at": "2022-09-04T14:35:48.890947Z",
"updated_at": "2022-09-04T14:35:48.890976Z",
"structure_string": "Mg1 Si1 H2 O4\n1.0\n0.000000 0.000000 -2.848327\n0.212284 -4.261914 0.000000\n-4.761290 -0.011685 0.000000\nMg Si H O\n1 1 2 4\ndirect\n0.500001 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 -0.000001 0.500000 H\n0.500001 0.500000 0.000000 H\n0.000000 0.205829 0.329127 O\n0.000000 0.794168 0.670874 O\n0.500001 0.244604 0.878725 O\n0.500001 0.755394 0.121276 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.4012859897704284,
"density_atomic": 0.13839415197017488,
"volume": 57.80591077088336,
"volume_molar": 4.351441642778247,
"formula_full": "Mg1 Si1 H2 O4",
"formula_reduced": "MgSi(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.21597145625,
"spacegroup": 10
},
{
"id": "jvasp-68260",
"created_at": "2022-09-04T14:35:48.890075Z",
"updated_at": "2022-09-04T14:35:48.890104Z",
"structure_string": "Be1 Fe1 Ru2\n1.0\n-1.745755 1.745755 3.940354\n1.745755 -1.745755 3.940354\n1.745755 1.745755 -3.940354\nBe Fe Ru\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Fe\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Ru"
],
"chemical_system": "Be-Fe-Ru",
"density": 9.229835359536667,
"density_atomic": 0.08327184179189344,
"volume": 48.03544528289036,
"volume_molar": 7.231905324071093,
"formula_full": "Be1 Fe1 Ru2",
"formula_reduced": "BeFeRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.57035565,
"spacegroup": 119
},
{
"id": "jvasp-89035",
"created_at": "2022-09-04T14:35:48.882937Z",
"updated_at": "2022-09-04T14:35:48.882963Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n6.178258 -0.034325 0.134059\n2.816364 5.499103 0.134059\n0.049462 0.030050 8.029988\nTl Mo O\n4 2 8\ndirect\n0.675704 0.654272 0.176423 Tl\n0.345728 0.324296 0.823578 Tl\n0.048593 0.951406 0.500000 Tl\n-0.002761 0.002761 0.000000 Tl\n0.358676 0.313855 0.307734 Mo\n0.686144 0.641324 0.692267 Mo\n0.218452 0.598938 0.199372 O\n0.401061 0.781548 0.800629 O\n0.296255 0.097859 0.201847 O\n0.902140 0.703745 0.798153 O\n0.676510 0.225175 0.299965 O\n0.774825 0.323490 0.700035 O\n0.649191 0.759922 0.484914 O\n0.240078 0.350808 0.515086 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 6.904599692722028,
"density_atomic": 0.05118008602499487,
"volume": 273.5438934815937,
"volume_molar": 11.766570218461458,
"formula_full": "Tl4 Mo2 O8",
"formula_reduced": "Tl2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0949535857142854,
"spacegroup": 5
},
{
"id": "jvasp-3195",
"created_at": "2022-09-04T14:35:48.881325Z",
"updated_at": "2022-09-04T14:35:48.881355Z",
"structure_string": "Nd2 Se2 F2\n1.0\n4.044101 0.000000 0.000000\n0.000000 4.044101 0.000000\n0.000000 0.000000 7.175941\nNd Se F\n2 2 2\ndirect\n0.500000 0.000000 0.782692 Nd\n0.000000 0.500000 0.217308 Nd\n0.000000 0.500000 0.646039 Se\n0.500000 0.000000 0.353960 Se\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Se",
"F"
],
"chemical_system": "F-Nd-Se",
"density": 6.853794975417095,
"density_atomic": 0.051124421203778685,
"volume": 117.36074186706941,
"volume_molar": 11.779381787025285,
"formula_full": "Nd2 Se2 F2",
"formula_reduced": "NdSeF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-70959",
"created_at": "2022-09-04T14:35:48.881092Z",
"updated_at": "2022-09-04T14:35:48.881114Z",
"structure_string": "Li2 Be1 Co1\n1.0\n2.790219 -0.000000 0.000000\n-0.000000 2.790219 0.000000\n0.000000 -0.000000 6.534872\nLi Be Co\n2 1 1\ndirect\n0.000000 0.000000 0.943179 Li\n0.500000 0.500000 0.303476 Li\n0.000000 0.000000 0.567101 Be\n0.500000 0.500000 0.686243 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Co"
],
"chemical_system": "Be-Co-Li",
"density": 2.6707550522455996,
"density_atomic": 0.07862240465394522,
"volume": 50.87608319290044,
"volume_molar": 7.6595733576279175,
"formula_full": "Li2 Be1 Co1",
"formula_reduced": "Li2BeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6330717500000005,
"spacegroup": 99
},
{
"id": "jvasp-66329",
"created_at": "2022-09-04T14:35:48.880731Z",
"updated_at": "2022-09-04T14:35:48.880750Z",
"structure_string": "Ba1 Ta1 Cl1\n1.0\n-0.000000 3.953138 3.953138\n3.953138 -0.000000 3.953138\n3.953138 3.953138 0.000000\nBa Ta Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Cl"
],
"chemical_system": "Ba-Cl-Ta",
"density": 4.754036008534247,
"density_atomic": 0.024280930893597247,
"volume": 123.55374730674285,
"volume_molar": 24.801935256889212,
"formula_full": "Ba1 Ta1 Cl1",
"formula_reduced": "BaTaCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.260853079166666,
"spacegroup": 216
},
{
"id": "jvasp-94185",
"created_at": "2022-09-04T14:35:48.874040Z",
"updated_at": "2022-09-04T14:35:48.874072Z",
"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.096692 0.035820 0.000000\n-3.017326 5.297800 0.000000\n0.000000 0.000000 4.875717\nMg Cr Cu\n6 1 1\ndirect\n0.165505 0.850304 0.250000 Mg\n0.649695 0.334494 0.250000 Mg\n0.662610 0.837389 0.250000 Mg\n0.327365 0.648100 0.750000 Mg\n0.851900 0.172634 0.750000 Mg\n0.835522 0.664477 0.750000 Mg\n0.333816 0.166184 0.750000 Cr\n0.173582 0.326418 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Cu"
],
"chemical_system": "Cr-Cu-Mg",
"density": 2.74681360462419,
"density_atomic": 0.05063034095604334,
"volume": 158.00802145388485,
"volume_molar": 11.89433183005493,
"formula_full": "Mg6 Cr1 Cu1",
"formula_reduced": "Mg6CrCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0001037499999999,
"spacegroup": 38
},
{
"id": "jvasp-90115",
"created_at": "2022-09-04T14:35:48.864210Z",
"updated_at": "2022-09-04T14:35:48.864235Z",
"structure_string": "Zn2 Ga2 S5\n1.0\n-1.869664 3.238352 -0.000000\n-3.739327 -0.000000 -0.000000\n-1.869664 1.079451 15.034906\nZn Ga S\n2 2 5\ndirect\n0.311441 0.311441 0.065678 Zn\n0.482475 0.482475 0.552574 Zn\n0.896435 0.896435 0.310695 Ga\n0.076343 0.076342 0.770972 Ga\n0.995010 0.995011 0.014967 S\n0.532332 0.532332 0.403003 S\n0.389788 0.389788 0.830634 S\n0.256390 0.256390 0.230828 S\n0.127783 0.127783 0.616649 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"S"
],
"chemical_system": "Ga-S-Zn",
"density": 3.927297600697019,
"density_atomic": 0.04943383381689458,
"volume": 182.06154176381412,
"volume_molar": 12.182224794270082,
"formula_full": "Zn2 Ga2 S5",
"formula_reduced": "Zn2Ga2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.6380606055555557,
"spacegroup": 160
},
{
"id": "jvasp-18704",
"created_at": "2022-09-04T14:35:48.862186Z",
"updated_at": "2022-09-04T14:35:48.862205Z",
"structure_string": "Mg2 Ga4\n1.0\n2.163163 -3.746709 0.000000\n2.163163 3.746709 -0.000000\n-0.000000 -0.000000 7.047691\nMg Ga\n2 4\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666666 0.333332 0.446283 Ga\n0.333332 0.666666 0.946283 Ga\n0.666666 0.333332 0.053717 Ga\n0.333332 0.666666 0.553717 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.760438888172681,
"density_atomic": 0.05252126657033089,
"volume": 114.23943845614306,
"volume_molar": 11.46609964543751,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0596585,
"spacegroup": 194
},
{
"id": "jvasp-92456",
"created_at": "2022-09-04T14:35:48.861477Z",
"updated_at": "2022-09-04T14:35:48.861516Z",
"structure_string": "La2 Se1 O2\n1.0\n4.089301 0.000000 0.000000\n-2.044650 3.541438 -0.000000\n0.000000 -0.000000 7.176600\nLa Se O\n2 1 2\ndirect\n0.666667 0.333333 0.712470 La\n0.333333 0.666667 0.287530 La\n0.000000 0.000000 0.000000 Se\n0.666667 0.333333 0.375225 O\n0.333333 0.666667 0.624775 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Se",
"O"
],
"chemical_system": "La-O-Se",
"density": 6.211465667760218,
"density_atomic": 0.048108580402999285,
"volume": 103.93156393549039,
"volume_molar": 12.517810148529252,
"formula_full": "La2 Se1 O2",
"formula_reduced": "La2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4633360733333332,
"spacegroup": 164
}
]
}