HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11538",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11536",
"results": [
{
"id": "mp-5517",
"created_at": "2022-09-04T14:45:14.913589Z",
"structure_string": "Tb1 Ni2 P2\n1.0\n-1.940002 1.940002 4.699317\n1.940002 -1.940002 4.699317\n1.940002 1.940002 -4.699317\nTb Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.623332 0.623332 0.000000 P\n0.376668 0.376668 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"P"
],
"chemical_system": "Ni-P-Tb",
"density": 7.9396294644589185,
"density_atomic": 0.07067582970847772,
"volume": 70.74554371167487,
"volume_molar": 8.520792447488779,
"formula_full": "Tb1 Ni2 P2",
"formula_reduced": "Tb(NiP)2",
"formula_anonymous": "AB2C2",
"energy": -32.10756888,
"energy_per_atom": -6.421513776,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.10756888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004596,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.511000Z",
"spacegroup": 139
},
{
"id": "mp-1187146",
"created_at": "2022-09-04T14:47:26.562975Z",
"structure_string": "Sr1 Au1 O3\n1.0\n4.135840 0.000000 0.000000\n0.000000 4.135840 0.000000\n0.000000 0.000000 4.135840\nSr Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Au",
"O"
],
"chemical_system": "Au-O-Sr",
"density": 7.806570144195962,
"density_atomic": 0.07067711551969477,
"volume": 70.7442566555607,
"volume_molar": 8.520637430827067,
"formula_full": "Sr1 Au1 O3",
"formula_reduced": "SrAuO3",
"formula_anonymous": "ABC3",
"energy": -26.91376889,
"energy_per_atom": -5.382753778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.85276889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.417000Z",
"spacegroup": 221
},
{
"id": "mp-866109",
"created_at": "2022-09-04T14:43:52.263027Z",
"structure_string": "Ho1 Nb1 Os2\n1.0\n0.000000 3.282558 3.282558\n3.282558 0.000000 3.282558\n3.282558 3.282558 0.000000\nHo Nb Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Nb",
"Os"
],
"chemical_system": "Ho-Nb-Os",
"density": 14.983196514104673,
"density_atomic": 0.05654481276425934,
"volume": 70.74035273007937,
"volume_molar": 10.650209038814706,
"formula_full": "Ho1 Nb1 Os2",
"formula_reduced": "HoNbOs2",
"formula_anonymous": "ABC2",
"energy": -37.80360953,
"energy_per_atom": -9.4509023825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.80360953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.371000Z",
"spacegroup": 225
},
{
"id": "mp-1929",
"created_at": "2022-09-04T14:40:27.166949Z",
"structure_string": "Nd1 B6\n1.0\n4.135696 0.000000 0.000000\n0.000000 4.135696 0.000000\n0.000000 0.000000 4.135696\nNd B\n1 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.800245 0.500000 0.500000 B\n0.199755 0.500000 0.500000 B\n0.500000 0.500000 0.800245 B\n0.500000 0.500000 0.199755 B\n0.500000 0.199755 0.500000 B\n0.500000 0.800245 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nd",
"B"
],
"chemical_system": "B-Nd",
"density": 4.908783997892283,
"density_atomic": 0.09895829783734272,
"volume": 70.73686747831765,
"volume_molar": 6.085533898227073,
"formula_full": "Nd1 B6",
"formula_reduced": "NdB6",
"formula_anonymous": "AB6",
"energy": -48.17173791,
"energy_per_atom": -6.881676844285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.17173791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004359,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.626000Z",
"spacegroup": 221
},
{
"id": "mp-10716",
"created_at": "2022-09-04T14:46:40.005592Z",
"structure_string": "Yb1 Rh3 C1\n1.0\n4.135533 0.000000 0.000000\n0.000000 4.135533 0.000000\n0.000000 0.000000 4.135533\nYb Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Rh",
"C"
],
"chemical_system": "C-Rh-Yb",
"density": 11.592493542026816,
"density_atomic": 0.07069285676894078,
"volume": 70.72850396105045,
"volume_molar": 8.518740131953269,
"formula_full": "Yb1 Rh3 C1",
"formula_reduced": "YbRh3C",
"formula_anonymous": "ABC3",
"energy": -34.93129153,
"energy_per_atom": -6.986258306000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.93129153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0411374,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.757000Z",
"spacegroup": 221
},
{
"id": "mp-867233",
"created_at": "2022-09-04T14:48:08.106860Z",
"structure_string": "Sc2 Zn1 Ir1\n1.0\n0.000000 3.282257 3.282257\n3.282257 0.000000 3.282257\n3.282257 3.282257 0.000000\nSc Zn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Ir"
],
"chemical_system": "Ir-Sc-Zn",
"density": 8.160249353964957,
"density_atomic": 0.05656037054920217,
"volume": 70.72089452667886,
"volume_molar": 10.647279537819342,
"formula_full": "Sc2 Zn1 Ir1",
"formula_reduced": "Sc2ZnIr",
"formula_anonymous": "ABC2",
"energy": -25.68694882,
"energy_per_atom": -6.421737205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.68694882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.116000Z",
"spacegroup": 225
},
{
"id": "mp-1183967",
"created_at": "2022-09-04T14:42:24.876991Z",
"structure_string": "Ga1 Ag3\n1.0\n4.135375 0.000000 0.000000\n0.000000 4.135375 0.000000\n0.000000 0.000000 4.135375\nGa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga",
"density": 9.235466254830724,
"density_atomic": 0.056560767960388024,
"volume": 70.72039762263084,
"volume_molar": 10.647204727166306,
"formula_full": "Ga1 Ag3",
"formula_reduced": "GaAg3",
"formula_anonymous": "AB3",
"energy": -11.55575556,
"energy_per_atom": -2.88893889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.55575556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.563000Z",
"spacegroup": 221
},
{
"id": "mp-862831",
"created_at": "2022-09-04T14:47:10.881824Z",
"structure_string": "Pa1 Ti1 Tc2\n1.0\n0.000000 3.282198 3.282198\n3.282198 0.000000 3.282198\n3.282198 3.282198 0.000000\nPa Ti Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Ti",
"Tc"
],
"chemical_system": "Pa-Tc-Ti",
"density": 11.151404657601503,
"density_atomic": 0.05656342075078871,
"volume": 70.7170808785327,
"volume_molar": 10.64670537967071,
"formula_full": "Pa1 Ti1 Tc2",
"formula_reduced": "PaTiTc2",
"formula_anonymous": "ABC2",
"energy": -39.50428737,
"energy_per_atom": -9.8760718425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.50428737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.769000Z",
"spacegroup": 225
},
{
"id": "mp-974943",
"created_at": "2022-09-04T14:48:24.199441Z",
"structure_string": "Hf1 Zr1 Tc2\n1.0\n0.000000 3.282160 3.282160\n3.282160 0.000000 3.282160\n3.282160 3.282160 0.000000\nHf Zr Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Tc"
],
"chemical_system": "Hf-Tc-Zr",
"density": 10.93601633479301,
"density_atomic": 0.05656538540352404,
"volume": 70.71462470316341,
"volume_molar": 10.646335593825583,
"formula_full": "Hf1 Zr1 Tc2",
"formula_reduced": "HfZrTc2",
"formula_anonymous": "ABC2",
"energy": -40.89852295,
"energy_per_atom": -10.2246307375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.89852295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:12.559000Z",
"spacegroup": 225
},
{
"id": "mp-1218273",
"created_at": "2022-09-04T14:40:56.089551Z",
"structure_string": "Sr1 Cu1 Ge1\n1.0\n2.111186 -3.656682 0.000000\n2.111186 3.656682 0.000000\n0.000000 0.000000 4.579914\nSr Cu Ge\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Sr",
"density": 5.255569853887351,
"density_atomic": 0.04242484309409903,
"volume": 70.713284509879,
"volume_molar": 14.194845097347297,
"formula_full": "Sr1 Cu1 Ge1",
"formula_reduced": "SrCuGe",
"formula_anonymous": "ABC",
"energy": -11.62823926,
"energy_per_atom": -3.8760797533333338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.62823926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.317000Z",
"spacegroup": 187
},
{
"id": "mp-632250",
"created_at": "2022-09-04T14:45:20.751634Z",
"structure_string": "H1\n1.0\n-2.605000 2.605000 2.605000\n2.605000 -2.605000 2.605000\n2.605000 2.605000 -2.605000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.023670127850447698,
"density_atomic": 0.014142195147712436,
"volume": 70.7103805,
"volume_molar": 42.58278645641592,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.12145603,
"energy_per_atom": -1.12145603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.12145603,
"band_gap": 7.4222,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.478000Z",
"spacegroup": 229
},
{
"id": "mp-1232890",
"created_at": "2022-09-04T14:42:28.969772Z",
"structure_string": "Cr4 N4\n1.0\n-2.123567 2.123548 0.000003\n-0.000005 0.000001 4.109614\n4.051172 4.051178 -0.000003\nCr N\n4 4\ndirect\n0.500000 0.500000 0.228615 Cr\n0.000000 0.000000 0.521368 Cr\n0.499998 0.499999 0.728678 Cr\n0.000002 0.999999 0.021320 Cr\n0.000000 0.500000 0.482432 N\n0.500000 0.000000 0.767425 N\n0.000000 0.500000 0.982590 N\n0.500001 0.000001 0.267573 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.200052853871006,
"density_atomic": 0.1131394153531486,
"volume": 70.70922167159108,
"volume_molar": 5.322761074204549,
"formula_full": "Cr4 N4",
"formula_reduced": "CrN",
"formula_anonymous": "AB",
"energy": -77.31037008,
"energy_per_atom": -9.66379626,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.86637008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.043000Z",
"spacegroup": 59
}
]
}