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=11520",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11518",
"results": [
{
"id": "mp-1055423",
"created_at": "2022-09-04T14:42:49.865549Z",
"structure_string": "Pu4\n1.0\n-0.018661 0.198357 3.522173\n4.535293 -0.273562 -0.014382\n1.969982 4.375312 0.246116\nPu\n4\ndirect\n0.857106 0.340361 0.247748 Pu\n0.581779 0.841192 0.251814 Pu\n0.418545 0.158791 0.748301 Pu\n0.142573 0.659657 0.752137 Pu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.647044571012607,
"density_atomic": 0.05589495502121435,
"volume": 71.56280917449243,
"volume_molar": 10.774032750745322,
"formula_full": "Pu4",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -56.71455862,
"energy_per_atom": -14.178639655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.71455862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.550000Z",
"spacegroup": 2
},
{
"id": "mp-1232782",
"created_at": "2022-09-04T14:46:23.967180Z",
"structure_string": "Cr4 N4\n1.0\n-2.108050 2.108114 0.000044\n-1.985683 -1.985680 4.105086\n4.142295 2.034377 2.163151\nCr N\n4 4\ndirect\n0.748763 0.261682 0.497623 Cr\n0.001231 0.988318 0.002363 Cr\n0.501236 0.488382 0.002384 Cr\n0.248761 0.761635 0.497614 Cr\n0.375003 0.124999 0.750005 N\n0.125023 0.374966 0.250039 N\n0.874998 0.624994 0.749995 N\n0.624986 0.875024 0.249977 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.126142193788892,
"density_atomic": 0.11179068348470418,
"volume": 71.56231405539805,
"volume_molar": 5.386979104411669,
"formula_full": "Cr4 N4",
"formula_reduced": "CrN",
"formula_anonymous": "AB",
"energy": -77.10990208,
"energy_per_atom": -9.63873776,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.66590208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0003595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.161000Z",
"spacegroup": 12
},
{
"id": "mp-1072971",
"created_at": "2022-09-04T14:48:17.041545Z",
"structure_string": "U2 Ti1 H3\n1.0\n2.366015 -4.098058 0.000000\n2.366015 4.098058 0.000000\n0.000000 0.000000 3.690113\nU Ti H\n2 1 3\ndirect\n0.666667 0.333333 0.500000 U\n0.333333 0.666667 0.500000 U\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Ti",
"H"
],
"chemical_system": "H-Ti-U",
"density": 12.227907083008562,
"density_atomic": 0.08384670393629977,
"volume": 71.55916354873455,
"volume_molar": 7.18232259263901,
"formula_full": "U2 Ti1 H3",
"formula_reduced": "U2TiH3",
"formula_anonymous": "AB2C3",
"energy": -41.01404393,
"energy_per_atom": -6.835673988333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.47704393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9801402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.655000Z",
"spacegroup": 191
},
{
"id": "mp-10699",
"created_at": "2022-09-04T14:44:11.937509Z",
"structure_string": "Lu1 Rh3 C1\n1.0\n4.151610 0.000000 0.000000\n0.000000 4.151610 0.000000\n0.000000 0.000000 4.151610\nLu Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Lu\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": [
"Lu",
"Rh",
"C"
],
"chemical_system": "C-Lu-Rh",
"density": 11.50305739480681,
"density_atomic": 0.06987476434647086,
"volume": 71.55659195081827,
"volume_molar": 8.618477380674213,
"formula_full": "Lu1 Rh3 C1",
"formula_reduced": "LuRh3C",
"formula_anonymous": "ABC3",
"energy": -38.60348246,
"energy_per_atom": -7.720696492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.60348246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.202000Z",
"spacegroup": 221
},
{
"id": "mp-1225731",
"created_at": "2022-09-04T14:40:05.210379Z",
"structure_string": "Cu3 S2\n1.0\n-2.455434 -2.455434 0.000000\n0.000000 0.000000 -5.933883\n2.455434 -2.455434 0.000000\nCu S\n3 2\ndirect\n0.500000 0.750000 0.000000 Cu\n0.000000 0.420030 0.000000 Cu\n0.500000 0.079970 0.500000 Cu\n0.000000 0.018419 0.000000 S\n0.500000 0.481581 0.500000 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 5.912463467460496,
"density_atomic": 0.06987864891138086,
"volume": 71.55261410879497,
"volume_molar": 8.617998278182505,
"formula_full": "Cu3 S2",
"formula_reduced": "Cu3S2",
"formula_anonymous": "A2B3",
"energy": -21.92837568,
"energy_per_atom": -4.385675136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.92237568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.330000Z",
"spacegroup": 115
},
{
"id": "mp-1187451",
"created_at": "2022-09-04T14:47:11.076945Z",
"structure_string": "Th1 Tc3\n1.0\n-2.245736 2.245736 3.545840\n2.245736 -2.245736 3.545840\n2.245736 2.245736 -3.545840\nTh Tc\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.749998 0.250000 0.499998 Tc\n0.250000 0.749998 0.499998 Tc\n0.500000 0.500000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Tc"
],
"chemical_system": "Tc-Th",
"density": 12.211520328396162,
"density_atomic": 0.05591952364558321,
"volume": 71.53136756585978,
"volume_molar": 10.769299105922656,
"formula_full": "Th1 Tc3",
"formula_reduced": "ThTc3",
"formula_anonymous": "AB3",
"energy": -37.43100226,
"energy_per_atom": -9.357750565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.43100226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4143096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.349000Z",
"spacegroup": 139
},
{
"id": "mp-1224523",
"created_at": "2022-09-04T14:42:44.408374Z",
"structure_string": "Gd1 Pd2 Pt1\n1.0\n0.000000 4.159577 0.000000\n0.000000 0.000000 4.134111\n4.159577 0.000000 0.000000\nGd Pd Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Pd",
"Pt"
],
"chemical_system": "Gd-Pd-Pt",
"density": 13.120512597392517,
"density_atomic": 0.05592159139108053,
"volume": 71.52872263642337,
"volume_molar": 10.768900902488497,
"formula_full": "Gd1 Pd2 Pt1",
"formula_reduced": "GdPd2Pt",
"formula_anonymous": "ABC2",
"energy": -28.84583638,
"energy_per_atom": -7.211459095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.84583638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9585385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.883000Z",
"spacegroup": 123
},
{
"id": "mp-865215",
"created_at": "2022-09-04T14:46:56.993959Z",
"structure_string": "Tm1 Hf1 Ru2\n1.0\n0.000000 3.294662 3.294662\n3.294662 0.000000 3.294662\n3.294662 3.294662 0.000000\nTm Hf Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Hf",
"Ru"
],
"chemical_system": "Hf-Ru-Tm",
"density": 12.758656439061038,
"density_atomic": 0.05592389286853907,
"volume": 71.52577896182666,
"volume_molar": 10.768457721919171,
"formula_full": "Tm1 Hf1 Ru2",
"formula_reduced": "TmHfRu2",
"formula_anonymous": "ABC2",
"energy": -35.50753834,
"energy_per_atom": -8.876884585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.50753834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.132000Z",
"spacegroup": 225
},
{
"id": "mp-1187466",
"created_at": "2022-09-04T14:46:52.134851Z",
"structure_string": "Ti3 Cd1\n1.0\n4.151009 0.000000 0.000000\n0.000000 4.151009 0.000000\n0.000000 0.000000 4.151009\nTi Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Cd"
],
"chemical_system": "Cd-Ti",
"density": 5.943583862472373,
"density_atomic": 0.0559240952002913,
"volume": 71.5255201836357,
"volume_molar": 10.768418761951882,
"formula_full": "Ti3 Cd1",
"formula_reduced": "Ti3Cd",
"formula_anonymous": "AB3",
"energy": -24.41481735,
"energy_per_atom": -6.1037043375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.41481735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.019000Z",
"spacegroup": 221
},
{
"id": "mp-1226017",
"created_at": "2022-09-04T14:46:31.231796Z",
"structure_string": "Co1 Ni1 Te2\n1.0\n1.976589 -3.423553 0.000000\n1.976589 3.423553 0.000000\n0.000000 0.000000 5.284555\nCo Ni Te\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.260322 Te\n0.666667 0.333333 0.739678 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Te"
],
"chemical_system": "Co-Ni-Te",
"density": 8.6561372589003,
"density_atomic": 0.0559278524956007,
"volume": 71.52071501967005,
"volume_molar": 10.76769532760748,
"formula_full": "Co1 Ni1 Te2",
"formula_reduced": "CoNiTe2",
"formula_anonymous": "ABC2",
"energy": -20.54032532,
"energy_per_atom": -5.13508133,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.69632532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0576873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.860000Z",
"spacegroup": 164
},
{
"id": "mp-983425",
"created_at": "2022-09-04T14:44:24.386532Z",
"structure_string": "Li2 Pm1 Ge1\n1.0\n0.000000 3.294532 3.294532\n3.294532 0.000000 3.294532\n3.294532 3.294532 0.000000\nLi Pm Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Ge"
],
"chemical_system": "Ge-Li-Pm",
"density": 5.37563999610159,
"density_atomic": 0.05593051328650754,
"volume": 71.51731255369945,
"volume_molar": 10.767183074382329,
"formula_full": "Li2 Pm1 Ge1",
"formula_reduced": "Li2PmGe",
"formula_anonymous": "ABC2",
"energy": -14.69597946,
"energy_per_atom": -3.673994865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.69597946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.287000Z",
"spacegroup": 225
},
{
"id": "mp-1068661",
"created_at": "2022-09-04T14:40:24.078134Z",
"structure_string": "Zr1 B1 Rh3\n1.0\n4.150800 0.000000 0.000000\n0.000000 4.150800 0.000000\n0.000000 0.000000 4.150800\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Zr",
"density": 9.53746223612778,
"density_atomic": 0.06991567906507277,
"volume": 71.514716968512,
"volume_molar": 8.613433839918796,
"formula_full": "Zr1 B1 Rh3",
"formula_reduced": "ZrBRh3",
"formula_anonymous": "ABC3",
"energy": -41.00975012,
"energy_per_atom": -8.201950024,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.00975012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.039000Z",
"spacegroup": 221
}
]
}