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=-energy_uncorrected&page=86",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=84",
"results": [
{
"id": "mp-22885",
"created_at": "2022-09-04T14:40:32.608831Z",
"structure_string": "Xe1 F2\n1.0\n-2.241840 2.241840 3.612412\n2.241840 -2.241840 3.612412\n2.241840 2.241840 -3.612412\nXe F\n1 2\ndirect\n0.000000 0.000000 0.000000 Xe\n0.712301 0.712301 0.000000 F\n0.287699 0.287699 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Xe",
"F"
],
"chemical_system": "F-Xe",
"density": 3.8709130007164902,
"density_atomic": 0.041309958580148506,
"volume": 72.62171406392186,
"volume_molar": 14.577939477513636,
"formula_full": "Xe1 F2",
"formula_reduced": "XeF2",
"formula_anonymous": "AB2",
"energy": -6.20931119,
"energy_per_atom": -2.0697703966666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.28531119,
"band_gap": 2.6861999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.99e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.007000Z",
"spacegroup": 139
},
{
"id": "mp-2459",
"created_at": "2022-09-04T14:44:56.827791Z",
"structure_string": "Yb1 In1\n1.0\n3.830621 0.000000 0.000000\n0.000000 3.830621 0.000000\n0.000000 0.000000 3.830621\nYb In\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"In"
],
"chemical_system": "In-Yb",
"density": 8.503933306730353,
"density_atomic": 0.03558135150281053,
"volume": 56.20921959195457,
"volume_molar": 16.92499161962501,
"formula_full": "Yb1 In1",
"formula_reduced": "YbIn",
"formula_anonymous": "AB",
"energy": -5.28813687,
"energy_per_atom": -2.644068435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.28813687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014417,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.382000Z",
"spacegroup": 221
},
{
"id": "mp-974982",
"created_at": "2022-09-04T14:44:25.312429Z",
"structure_string": "Rb3 In1\n1.0\n-3.159588 3.159588 5.878530\n3.159588 -3.159588 5.878530\n3.159588 3.159588 -5.878530\nRb In\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"In"
],
"chemical_system": "In-Rb",
"density": 2.625986324669968,
"density_atomic": 0.017040029789729374,
"volume": 234.74137365715995,
"volume_molar": 35.34113985897933,
"formula_full": "Rb3 In1",
"formula_reduced": "Rb3In",
"formula_anonymous": "AB3",
"energy": -5.28936459,
"energy_per_atom": -1.3223411475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.28936459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8798629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.986000Z",
"spacegroup": 139
},
{
"id": "mp-974828",
"created_at": "2022-09-04T14:39:46.181506Z",
"structure_string": "Rb3 Pr1\n1.0\n0.000000 5.160494 5.160494\n5.160494 0.000000 5.160494\n5.160494 5.160494 0.000000\nRb Pr\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Pr"
],
"chemical_system": "Pr-Rb",
"density": 2.400357414902987,
"density_atomic": 0.014553121773835338,
"volume": 274.8551178339957,
"volume_molar": 41.38040520506772,
"formula_full": "Rb3 Pr1",
"formula_reduced": "Rb3Pr",
"formula_anonymous": "AB3",
"energy": -5.29092663,
"energy_per_atom": -1.3227316575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.29092663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0388876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.963000Z",
"spacegroup": 225
},
{
"id": "mp-8094",
"created_at": "2022-09-04T14:41:45.316507Z",
"structure_string": "Ba2 Hg1\n1.0\n-2.133911 2.133911 7.631326\n2.133911 -2.133911 7.631326\n2.133911 2.133911 -7.631326\nBa Hg\n2 1\ndirect\n0.369497 0.369497 0.000000 Ba\n0.630503 0.630503 0.000000 Ba\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 5.677447644277822,
"density_atomic": 0.0215828430552644,
"volume": 138.9992964466399,
"volume_molar": 27.902444291421112,
"formula_full": "Ba2 Hg1",
"formula_reduced": "Ba2Hg",
"formula_anonymous": "AB2",
"energy": -5.2936028,
"energy_per_atom": -1.7645342666666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.2936028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.194000Z",
"spacegroup": 139
},
{
"id": "mp-1096503",
"created_at": "2022-09-04T14:45:14.640525Z",
"structure_string": "Mg2 Cu1 Ag1\n1.0\n-5.254831 5.791568 8.189744\n5.254831 -5.791568 8.189744\n5.254831 5.791568 -8.189744\nMg Cu Ag\n2 1 1\ndirect\n0.000000 0.247953 0.247953 Mg\n0.000000 0.752047 0.752047 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Mg",
"density": 0.3664665309270116,
"density_atomic": 0.00401212781836547,
"volume": 996.9772103695315,
"volume_molar": 150.09842738393624,
"formula_full": "Mg2 Cu1 Ag1",
"formula_reduced": "Mg2CuAg",
"formula_anonymous": "ABC2",
"energy": -5.29900939,
"energy_per_atom": -1.3247523475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.29900939,
"band_gap": 0.2080999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.225000Z",
"spacegroup": 71
},
{
"id": "mp-1038767",
"created_at": "2022-09-04T14:41:09.262719Z",
"structure_string": "Mg2 Cd2\n1.0\n1.607753 5.718886 0.000000\n-1.607753 5.718886 0.000000\n0.000000 2.306885 4.780155\nMg Cd\n2 2\ndirect\n0.875998 0.875998 0.793041 Mg\n0.124002 0.124002 0.206959 Mg\n0.624445 0.624445 0.711432 Cd\n0.375555 0.375555 0.288568 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.1653017045799015,
"density_atomic": 0.04550480403697846,
"volume": 87.90280684978865,
"volume_molar": 13.234076901212985,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -5.30155905,
"energy_per_atom": -1.3253897625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30155905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.646000Z",
"spacegroup": 12
},
{
"id": "mp-1184035",
"created_at": "2022-09-04T14:41:12.567154Z",
"structure_string": "Cs1 Sr3\n1.0\n-3.184686 3.184686 6.219177\n3.184686 -3.184686 6.219177\n3.184686 3.184686 -6.219177\nCs Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Sr"
],
"chemical_system": "Cs-Sr",
"density": 2.604718721770386,
"density_atomic": 0.015853817166529973,
"volume": 252.3051677702365,
"volume_molar": 37.98543086969449,
"formula_full": "Cs1 Sr3",
"formula_reduced": "CsSr3",
"formula_anonymous": "AB3",
"energy": -5.30165618,
"energy_per_atom": -1.325414045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30165618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0183881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.039000Z",
"spacegroup": 139
},
{
"id": "mp-1097274",
"created_at": "2022-09-04T14:44:16.471912Z",
"structure_string": "K2 Rb1 As1\n1.0\n-7.497178 7.570820 10.582790\n7.497178 -7.570820 10.582790\n7.497178 7.570820 -10.582790\nK Rb As\n2 1 1\ndirect\n0.208723 0.000000 0.208723 K\n0.791277 0.000000 0.791277 K\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"As"
],
"chemical_system": "As-K-Rb",
"density": 0.16488955316591591,
"density_atomic": 0.0016647885447793327,
"volume": 2402.707546579256,
"volume_molar": 361.73607626536335,
"formula_full": "K2 Rb1 As1",
"formula_reduced": "K2RbAs",
"formula_anonymous": "ABC2",
"energy": -5.30441679,
"energy_per_atom": -1.3261041975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30441679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0168311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.887000Z",
"spacegroup": 71
},
{
"id": "mp-1186863",
"created_at": "2022-09-04T14:39:49.619028Z",
"structure_string": "Rb3 Nd1\n1.0\n-3.074328 3.074328 6.997882\n3.074328 -3.074328 6.997882\n3.074328 3.074328 -6.997882\nRb Nd\n3 1\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Nd"
],
"chemical_system": "Nd-Rb",
"density": 2.5146772387912804,
"density_atomic": 0.015119345239658388,
"volume": 264.56172119860776,
"volume_molar": 39.8306981191473,
"formula_full": "Rb3 Nd1",
"formula_reduced": "Rb3Nd",
"formula_anonymous": "AB3",
"energy": -5.30667613,
"energy_per_atom": -1.3266690325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30667613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6851287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.874000Z",
"spacegroup": 139
},
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Au"
],
"chemical_system": "Au-Li-Mg",
"density": 0.42364943336941074,
"density_atomic": 0.0040413449751316105,
"volume": 989.7695011472599,
"volume_molar": 149.0132813965945,
"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
"formula_anonymous": "ABC2",
"energy": -5.31829493,
"energy_per_atom": -1.3295737325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.31829493,
"band_gap": 1.1865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1096715",
"created_at": "2022-09-04T14:40:35.975018Z",
"structure_string": "Mg2 Hg1 Rh1\n1.0\n-5.565944 6.100938 8.073201\n5.565944 -6.100938 8.073201\n5.565944 6.100938 -8.073201\nMg Hg Rh\n2 1 1\ndirect\n0.000000 0.224400 0.224400 Mg\n0.000000 0.775600 0.775600 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Rh"
],
"chemical_system": "Hg-Mg-Rh",
"density": 0.5331884163552526,
"density_atomic": 0.0036476972907295655,
"volume": 1096.582221931023,
"volume_molar": 165.09431238455448,
"formula_full": "Mg2 Hg1 Rh1",
"formula_reduced": "Mg2HgRh",
"formula_anonymous": "ABC2",
"energy": -5.32190057,
"energy_per_atom": -1.3304751425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.32190057,
"band_gap": 0.2186999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.825000Z",
"spacegroup": 71
}
]
}