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=-density&page=148",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=146",
"results": [
{
"id": "mp-977363",
"created_at": "2022-09-04T14:48:14.114526Z",
"structure_string": "Ta2 Tc1 Mo1\n1.0\n0.000000 3.211877 3.211877\n3.211877 0.000000 3.211877\n3.211877 3.211877 0.000000\nTa Tc Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Tc",
"Mo"
],
"chemical_system": "Mo-Ta-Tc",
"density": 13.92800356711496,
"density_atomic": 0.06036056263521749,
"volume": 66.26843464289036,
"volume_molar": 9.97694603410865,
"formula_full": "Ta2 Tc1 Mo1",
"formula_reduced": "Ta2TcMo",
"formula_anonymous": "ABC2",
"energy": -46.3235287,
"energy_per_atom": -11.580882175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.3235287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.883000Z",
"spacegroup": 225
},
{
"id": "mp-1208986",
"created_at": "2022-09-04T14:44:44.985594Z",
"structure_string": "Sc4 Ge2 B4 Ir10\n1.0\n9.281169 0.000000 0.000000\n0.000000 9.281169 0.000000\n0.000000 0.000000 3.170396\nSc Ge B Ir\n4 2 4 10\ndirect\n0.674911 0.174911 0.000000 Sc\n0.325089 0.825089 0.000000 Sc\n0.174911 0.325089 0.000000 Sc\n0.825089 0.674911 0.000000 Sc\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.124646 0.624646 0.000000 B\n0.875354 0.375354 0.000000 B\n0.624646 0.875354 0.000000 B\n0.375354 0.124646 0.000000 B\n0.215343 0.071898 0.500000 Ir\n0.784657 0.928102 0.500000 Ir\n0.071898 0.784657 0.500000 Ir\n0.715343 0.428102 0.500000 Ir\n0.928102 0.215343 0.500000 Ir\n0.284657 0.571898 0.500000 Ir\n0.571898 0.715343 0.500000 Ir\n0.428102 0.284657 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ge",
"B",
"Ir"
],
"chemical_system": "B-Ge-Ir-Sc",
"density": 13.927201748746063,
"density_atomic": 0.0732337246352019,
"volume": 273.098222159609,
"volume_molar": 8.223179675754583,
"formula_full": "Sc4 Ge2 B4 Ir10",
"formula_reduced": "Sc2GeB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy": -165.51067914,
"energy_per_atom": -8.275533957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.51067914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.083000Z",
"spacegroup": 127
},
{
"id": "mp-31098",
"created_at": "2022-09-04T14:42:45.699478Z",
"structure_string": "Y1 B2 Ir3\n1.0\n2.740825 -4.747249 0.000000\n2.740825 4.747249 0.000000\n0.000000 0.000000 3.148519\nY B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"B",
"Ir"
],
"chemical_system": "B-Ir-Y",
"density": 13.92705366324768,
"density_atomic": 0.07323043562339127,
"volume": 81.93314636084835,
"volume_molar": 8.223549004911844,
"formula_full": "Y1 B2 Ir3",
"formula_reduced": "YB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -50.46838459,
"energy_per_atom": -8.411397431666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.46838459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.145000Z",
"spacegroup": 191
},
{
"id": "mp-1063174",
"created_at": "2022-09-04T14:46:23.901366Z",
"structure_string": "Gd1 Au2\n1.0\n-1.898085 1.898085 4.560455\n1.898085 -1.898085 4.560455\n1.898085 1.898085 -4.560455\nGd Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.664736 0.664736 0.000000 Au\n0.335264 0.335264 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Gd",
"Au"
],
"chemical_system": "Au-Gd",
"density": 13.92661405454632,
"density_atomic": 0.0456480021213867,
"volume": 65.72029137271836,
"volume_molar": 13.192561514490787,
"formula_full": "Gd1 Au2",
"formula_reduced": "GdAu2",
"formula_anonymous": "AB2",
"energy": -23.08333149,
"energy_per_atom": -7.69444383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.08333149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0714239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.876000Z",
"spacegroup": 139
},
{
"id": "mp-1224535",
"created_at": "2022-09-04T14:48:29.984796Z",
"structure_string": "Hf18 B4 W6\n1.0\n4.210019 -7.291967 0.000000\n4.210019 7.291967 0.000000\n0.000000 0.000000 8.465392\nHf B W\n18 4 6\ndirect\n0.200686 0.799314 0.445032 Hf\n0.200686 0.401372 0.445032 Hf\n0.598628 0.799314 0.445032 Hf\n0.799314 0.200686 0.554968 Hf\n0.799314 0.598628 0.554968 Hf\n0.401372 0.200686 0.554968 Hf\n0.799314 0.200686 0.945032 Hf\n0.799314 0.598628 0.945032 Hf\n0.401372 0.200686 0.945032 Hf\n0.200686 0.799314 0.054968 Hf\n0.200686 0.401372 0.054968 Hf\n0.598628 0.799314 0.054968 Hf\n0.540356 0.459644 0.250000 Hf\n0.540356 0.080711 0.250000 Hf\n0.919289 0.459644 0.250000 Hf\n0.459644 0.540356 0.750000 Hf\n0.459644 0.919289 0.750000 Hf\n0.080711 0.540356 0.750000 Hf\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.892086 0.107914 0.250000 W\n0.892086 0.784172 0.250000 W\n0.215828 0.107914 0.250000 W\n0.107914 0.892086 0.750000 W\n0.107914 0.215828 0.750000 W\n0.784172 0.892086 0.750000 W\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"B",
"W"
],
"chemical_system": "B-Hf-W",
"density": 13.92645270312914,
"density_atomic": 0.053870649515401506,
"volume": 519.7635493887049,
"volume_molar": 11.178890201199973,
"formula_full": "Hf18 B4 W6",
"formula_reduced": "Hf9B2W3",
"formula_anonymous": "A2B3C9",
"energy": -286.01659172,
"energy_per_atom": -10.214878275714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.01659172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.195000Z",
"spacegroup": 194
},
{
"id": "mp-1215106",
"created_at": "2022-09-04T14:47:00.033475Z",
"structure_string": "Ce4 Ge12 Pt20\n1.0\n0.000000 -4.227205 0.000000\n-20.505490 0.000000 0.000000\n0.000000 0.000000 -7.338127\nCe Ge Pt\n4 12 20\ndirect\n0.750000 0.646064 0.122154 Ce\n0.250000 0.353936 0.877846 Ce\n0.250000 0.853936 0.622154 Ce\n0.750000 0.146064 0.377846 Ce\n0.750000 0.736393 0.615840 Ge\n0.250000 0.263607 0.384160 Ge\n0.250000 0.763607 0.115840 Ge\n0.750000 0.236393 0.884160 Ge\n0.750000 0.923887 0.342998 Ge\n0.250000 0.076113 0.657002 Ge\n0.250000 0.576113 0.842998 Ge\n0.750000 0.423887 0.157002 Ge\n0.750000 0.914335 0.909659 Ge\n0.250000 0.085665 0.090341 Ge\n0.250000 0.585665 0.409659 Ge\n0.750000 0.414335 0.590341 Ge\n0.750000 0.799417 0.321198 Pt\n0.250000 0.200583 0.678802 Pt\n0.250000 0.700583 0.821198 Pt\n0.750000 0.299417 0.178802 Pt\n0.750000 0.987791 0.624639 Pt\n0.250000 0.012209 0.375361 Pt\n0.250000 0.512209 0.124639 Pt\n0.750000 0.487791 0.875361 Pt\n0.750000 0.518963 0.380117 Pt\n0.250000 0.481037 0.619883 Pt\n0.250000 0.981037 0.880117 Pt\n0.750000 0.018963 0.119883 Pt\n0.750000 0.795556 0.915403 Pt\n0.250000 0.204444 0.084597 Pt\n0.250000 0.704444 0.415403 Pt\n0.750000 0.295556 0.584597 Pt\n0.750000 0.616039 0.674292 Pt\n0.250000 0.383961 0.325708 Pt\n0.250000 0.883961 0.174292 Pt\n0.750000 0.116039 0.825708 Pt\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Pt"
],
"chemical_system": "Ce-Ge-Pt",
"density": 13.924483458847874,
"density_atomic": 0.056597052685358126,
"volume": 636.0755249948437,
"volume_molar": 10.640378737527355,
"formula_full": "Ce4 Ge12 Pt20",
"formula_reduced": "CeGe3Pt5",
"formula_anonymous": "AB3C5",
"energy": -225.40934038,
"energy_per_atom": -6.261370566111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.40934038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0530745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.810000Z",
"spacegroup": 62
},
{
"id": "mp-862770",
"created_at": "2022-09-04T14:45:00.033992Z",
"structure_string": "Tc6 Ir2\n1.0\n2.769817 -4.797463 0.000000\n2.769817 4.797463 0.000000\n0.000000 0.000000 4.363531\nTc Ir\n6 2\ndirect\n0.838188 0.161812 0.750000 Tc\n0.323625 0.161812 0.750000 Tc\n0.838188 0.676375 0.750000 Tc\n0.161812 0.838188 0.250000 Tc\n0.676375 0.838188 0.250000 Tc\n0.161812 0.323625 0.250000 Tc\n0.666667 0.333333 0.250000 Ir\n0.333333 0.666667 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc",
"density": 13.924463167075954,
"density_atomic": 0.06898572220102986,
"volume": 115.96602521152663,
"volume_molar": 8.729546590019027,
"formula_full": "Tc6 Ir2",
"formula_reduced": "Tc3Ir",
"formula_anonymous": "AB3",
"energy": -81.66727982,
"energy_per_atom": -10.2084099775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.66727982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.136000Z",
"spacegroup": 194
},
{
"id": "mp-862833",
"created_at": "2022-09-04T14:44:24.810084Z",
"structure_string": "Pa1 Zn1 Au2\n1.0\n0.000000 3.452917 3.452917\n3.452917 0.000000 3.452917\n3.452917 3.452917 0.000000\nPa Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Zn",
"Au"
],
"chemical_system": "Au-Pa-Zn",
"density": 13.923475000722329,
"density_atomic": 0.048581573668625956,
"volume": 82.33574373864315,
"volume_molar": 12.395935959334944,
"formula_full": "Pa1 Zn1 Au2",
"formula_reduced": "PaZnAu2",
"formula_anonymous": "ABC2",
"energy": -18.70230507,
"energy_per_atom": -4.6755762675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.70230507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.902000Z",
"spacegroup": 225
},
{
"id": "mp-1224267",
"created_at": "2022-09-04T14:40:36.134874Z",
"structure_string": "Hf1 U1 Ta2 C4\n1.0\n10.963899 -1.613984 0.000000\n10.963899 1.613984 0.000000\n10.726306 0.000000 2.785387\nHf U Ta C\n1 1 2 4\ndirect\n0.995762 0.995762 0.995762 Hf\n0.750940 0.750940 0.750940 U\n0.503575 0.503575 0.503575 Ta\n0.249119 0.249119 0.249119 Ta\n0.876790 0.876790 0.876790 C\n0.620358 0.620358 0.620358 C\n0.370676 0.370676 0.370676 C\n0.132780 0.132780 0.132780 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"U",
"Ta",
"C"
],
"chemical_system": "C-Hf-Ta-U",
"density": 13.921621296668336,
"density_atomic": 0.0811540495458749,
"volume": 98.57795199089536,
"volume_molar": 7.420628784021177,
"formula_full": "Hf1 U1 Ta2 C4",
"formula_reduced": "HfU(TaC2)2",
"formula_anonymous": "ABC2D4",
"energy": -86.68064089,
"energy_per_atom": -10.83508011125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.68064089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.974000Z",
"spacegroup": 160
},
{
"id": "mp-1018628",
"created_at": "2022-09-04T14:47:07.241518Z",
"structure_string": "Sc1 Pt3 C1\n1.0\n4.247042 0.000000 0.000000\n0.000000 4.247042 0.000000\n0.000000 0.000000 4.247042\nSc Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Pt",
"C"
],
"chemical_system": "C-Pt-Sc",
"density": 13.921060391863556,
"density_atomic": 0.06526950766512084,
"volume": 76.60544990860922,
"volume_molar": 9.226576046655477,
"formula_full": "Sc1 Pt3 C1",
"formula_reduced": "ScPt3C",
"formula_anonymous": "ABC3",
"energy": -34.66439545,
"energy_per_atom": -6.93287909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.66439545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.952000Z",
"spacegroup": 221
},
{
"id": "mp-1186836",
"created_at": "2022-09-04T14:43:15.509436Z",
"structure_string": "Pu6 Zn2\n1.0\n6.481375 0.000000 0.000000\n-3.240688 5.613036 0.000000\n0.000000 0.000000 5.229815\nPu Zn\n6 2\ndirect\n0.172503 0.345006 0.250000 Pu\n0.654996 0.827498 0.250000 Pu\n0.172503 0.827498 0.250000 Pu\n0.827497 0.654995 0.750001 Pu\n0.345005 0.172503 0.750001 Pu\n0.827499 0.172503 0.750001 Pu\n0.333334 0.666668 0.750001 Zn\n0.666667 0.333334 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Zn"
],
"chemical_system": "Pu-Zn",
"density": 13.919028450614434,
"density_atomic": 0.04204735517206956,
"volume": 190.26166966416218,
"volume_molar": 14.322281949377583,
"formula_full": "Pu6 Zn2",
"formula_reduced": "Pu3Zn",
"formula_anonymous": "AB3",
"energy": -87.50706052,
"energy_per_atom": -10.938382565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.50706052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.57206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.533000Z",
"spacegroup": 194
},
{
"id": "mp-861599",
"created_at": "2022-09-04T14:48:22.520372Z",
"structure_string": "Pu1 Sn1 Au2\n1.0\n0.000000 3.560662 3.560662\n3.560662 0.000000 3.560662\n3.560662 3.560662 0.000000\nPu Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"Sn",
"Au"
],
"chemical_system": "Au-Pu-Sn",
"density": 13.91611312348507,
"density_atomic": 0.044303470358398475,
"volume": 90.28638090067209,
"volume_molar": 13.592932362370574,
"formula_full": "Pu1 Sn1 Au2",
"formula_reduced": "PuSnAu2",
"formula_anonymous": "ABC2",
"energy": -26.60093846,
"energy_per_atom": -6.650234615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.60093846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2383599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.384000Z",
"spacegroup": 225
}
]
}