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&page=10261",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10259",
"results": [
{
"id": "mp-1225531",
"created_at": "2022-09-04T14:42:19.311438Z",
"structure_string": "Dy1 U1 Al4\n1.0\n0.000000 3.919415 3.919415\n3.919415 0.000000 3.919415\n3.919415 3.919415 0.000000\nDy U Al\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 U\n0.374387 0.374387 0.374387 Al\n0.374387 0.876839 0.374387 Al\n0.876839 0.374387 0.374387 Al\n0.374387 0.374387 0.876839 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"U",
"Al"
],
"chemical_system": "Al-Dy-U",
"density": 7.011451400399983,
"density_atomic": 0.04982616978693173,
"volume": 120.41864798473158,
"volume_molar": 12.0863008048824,
"formula_full": "Dy1 U1 Al4",
"formula_reduced": "DyUAl4",
"formula_anonymous": "ABC4",
"energy": -32.34650958,
"energy_per_atom": -5.391084930000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34650958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6333754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.263000Z",
"spacegroup": 216
},
{
"id": "mp-1225743",
"created_at": "2022-09-04T14:43:59.837304Z",
"structure_string": "Cu6 Ge1 Sb1\n1.0\n-2.125908 -3.682320 0.000000\n-4.251817 0.000000 0.000000\n0.000000 0.000000 -7.572836\nCu Ge Sb\n6 1 1\ndirect\n0.000005 0.999998 0.750000 Cu\n0.000038 0.999981 0.250000 Cu\n0.333332 0.333334 0.073235 Cu\n0.666654 0.666673 0.908155 Cu\n0.666654 0.666673 0.591845 Cu\n0.333332 0.333334 0.426765 Cu\n0.333334 0.333333 0.750000 Ge\n0.666650 0.666675 0.250000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"Sb"
],
"chemical_system": "Cu-Ge-Sb",
"density": 8.06255293498969,
"density_atomic": 0.06747382718923589,
"volume": 118.56449134807994,
"volume_molar": 8.925150700449246,
"formula_full": "Cu6 Ge1 Sb1",
"formula_reduced": "Cu6GeSb",
"formula_anonymous": "ABC6",
"energy": -32.34522526,
"energy_per_atom": -4.0431531575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.15322526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.610000Z",
"spacegroup": 187
},
{
"id": "mp-1185339",
"created_at": "2022-09-04T14:40:16.540459Z",
"structure_string": "Li1 Eu2 Ir1\n1.0\n0.000000 3.607625 3.607625\n3.607625 0.000000 3.607625\n3.607625 3.607625 0.000000\nLi Eu Ir\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Eu",
"Ir"
],
"chemical_system": "Eu-Ir-Li",
"density": 8.896049077938198,
"density_atomic": 0.04259570711466891,
"volume": 93.90617672414454,
"volume_molar": 14.137905361655852,
"formula_full": "Li1 Eu2 Ir1",
"formula_reduced": "LiEu2Ir",
"formula_anonymous": "ABC2",
"energy": -32.34438882,
"energy_per_atom": -8.086097205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34438882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9929252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.285000Z",
"spacegroup": 225
},
{
"id": "mp-978511",
"created_at": "2022-09-04T14:41:53.774991Z",
"structure_string": "Sm1 Pa3\n1.0\n4.726050 0.000000 0.000000\n0.000000 4.726050 0.000000\n0.000000 0.000000 4.726050\nSm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pa"
],
"chemical_system": "Pa-Sm",
"density": 13.268523158701052,
"density_atomic": 0.03789352922496516,
"volume": 105.5589194728451,
"volume_molar": 15.892266788474455,
"formula_full": "Sm1 Pa3",
"formula_reduced": "SmPa3",
"formula_anonymous": "AB3",
"energy": -32.34333715,
"energy_per_atom": -8.0858342875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34333715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.104000Z",
"spacegroup": 221
},
{
"id": "mp-1027849",
"created_at": "2022-09-04T14:41:11.018388Z",
"structure_string": "Mg14 Co1 Cu1\n1.0\n6.201557 -0.000000 -0.000000\n-3.100779 5.370705 -0.000000\n0.000000 -0.000000 9.650470\nMg Co Cu\n14 1 1\ndirect\n0.166695 0.833347 0.125000 Mg\n0.166580 0.833289 0.625000 Mg\n0.666653 0.333305 0.125000 Mg\n0.666711 0.333420 0.625000 Mg\n0.666653 0.833347 0.125000 Mg\n0.666711 0.833289 0.625000 Mg\n0.324690 0.175310 0.378047 Mg\n0.324690 0.175310 0.871953 Mg\n0.324690 0.649381 0.378047 Mg\n0.324690 0.649381 0.871953 Mg\n0.850619 0.175310 0.378047 Mg\n0.850619 0.175310 0.871953 Mg\n0.833333 0.666667 0.373773 Mg\n0.833333 0.666667 0.876227 Mg\n0.166667 0.333333 0.625000 Co\n0.166667 0.333333 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Mg",
"density": 2.390640465441434,
"density_atomic": 0.04977823339285273,
"volume": 321.42562942575853,
"volume_molar": 12.097939901709475,
"formula_full": "Mg14 Co1 Cu1",
"formula_reduced": "Mg14CoCu",
"formula_anonymous": "ABC14",
"energy": -32.34317736,
"energy_per_atom": -2.021448585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34317736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0521489,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.697000Z",
"spacegroup": 187
},
{
"id": "mp-7349",
"created_at": "2022-09-04T14:45:09.438934Z",
"structure_string": "Ba1 B2 Rh2\n1.0\n-1.972484 1.972484 5.754442\n1.972484 -1.972484 5.754442\n1.972484 1.972484 -5.754442\nBa B Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.683298 0.683298 0.000000 B\n0.316702 0.316702 0.000000 B\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"Rh"
],
"chemical_system": "B-Ba-Rh",
"density": 6.763416270528479,
"density_atomic": 0.05583156707653285,
"volume": 89.55507183142639,
"volume_molar": 10.786264966815216,
"formula_full": "Ba1 B2 Rh2",
"formula_reduced": "Ba(BRh)2",
"formula_anonymous": "AB2C2",
"energy": -32.34262984,
"energy_per_atom": -6.468525968,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34262984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.109000Z",
"spacegroup": 139
},
{
"id": "mp-1225038",
"created_at": "2022-09-04T14:47:57.580079Z",
"structure_string": "Er1 Si2 Pt2\n1.0\n-2.097666 2.097666 5.051035\n2.097666 -2.097666 5.051035\n2.097666 2.097666 -5.051035\nEr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.632482 0.632482 0.000000 Pt\n0.367518 0.367518 0.000000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Si",
"Pt"
],
"chemical_system": "Er-Pt-Si",
"density": 11.460933315735028,
"density_atomic": 0.05624150803309454,
"volume": 88.90231031959206,
"volume_molar": 10.70764453267568,
"formula_full": "Er1 Si2 Pt2",
"formula_reduced": "Er(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -32.34077473,
"energy_per_atom": -6.468154946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34077473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.070000Z",
"spacegroup": 139
},
{
"id": "mp-1206156",
"created_at": "2022-09-04T14:39:35.398402Z",
"structure_string": "Pb1 N2 F6\n1.0\n0.000000 0.000000 -5.222830\n-2.753693 -4.769536 0.000000\n-2.753693 4.769536 0.000000\nPb N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.668527 0.666667 0.333333 N\n0.331473 0.333333 0.666667 N\n0.755597 0.174962 0.349924 F\n0.244403 0.825038 0.650076 F\n0.755597 0.174962 0.825038 F\n0.244403 0.825038 0.174962 F\n0.755597 0.650076 0.825038 F\n0.244403 0.349924 0.174962 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pb",
"N",
"F"
],
"chemical_system": "F-N-Pb",
"density": 4.226691445918199,
"density_atomic": 0.06560168160005975,
"volume": 137.19160516141105,
"volume_molar": 9.17985730413733,
"formula_full": "Pb1 N2 F6",
"formula_reduced": "Pb(NF3)2",
"formula_anonymous": "AB2C6",
"energy": -32.34021437,
"energy_per_atom": -3.593357152222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.56821437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.195000Z",
"spacegroup": 164
},
{
"id": "mp-1026582",
"created_at": "2022-09-04T14:46:27.961805Z",
"structure_string": "Sr1 Mg14 Mo1\n1.0\n6.501277 0.015354 0.000000\n-3.237342 5.607240 0.000000\n0.000000 0.000000 10.326708\nSr Mg Mo\n1 14 1\ndirect\n0.159700 0.329850 0.125000 Sr\n0.169679 0.334839 0.625000 Mg\n0.163979 0.831989 0.625000 Mg\n0.657073 0.321847 0.125000 Mg\n0.664967 0.337417 0.625000 Mg\n0.657073 0.835225 0.125000 Mg\n0.664967 0.827550 0.625000 Mg\n0.334013 0.153220 0.378028 Mg\n0.334013 0.153220 0.871972 Mg\n0.334013 0.680794 0.378028 Mg\n0.334013 0.680794 0.871972 Mg\n0.824191 0.162096 0.390910 Mg\n0.824191 0.162096 0.859090 Mg\n0.846343 0.673172 0.359243 Mg\n0.846343 0.673172 0.890757 Mg\n0.185440 0.842719 0.125000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo-Sr",
"density": 2.307480210376517,
"density_atomic": 0.042444214749377325,
"volume": 376.9653907953316,
"volume_molar": 14.188366531361845,
"formula_full": "Sr1 Mg14 Mo1",
"formula_reduced": "SrMg14Mo",
"formula_anonymous": "ABC14",
"energy": -32.33770583,
"energy_per_atom": -2.021106614375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.33770583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2236804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.604000Z",
"spacegroup": 38
},
{
"id": "mp-1222337",
"created_at": "2022-09-04T14:46:17.476103Z",
"structure_string": "Li1 Gd1 S2\n1.0\n3.975599 0.000000 0.000000\n0.000000 3.975599 0.000000\n0.000000 0.000000 5.368973\nLi Gd S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Gd",
"S"
],
"chemical_system": "Gd-Li-S",
"density": 4.467850061728811,
"density_atomic": 0.04713718313357726,
"volume": 84.85869825239254,
"volume_molar": 12.775775639656846,
"formula_full": "Li1 Gd1 S2",
"formula_reduced": "LiGdS2",
"formula_anonymous": "ABC2",
"energy": -32.3374999,
"energy_per_atom": -8.084374975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.3314999,
"band_gap": 0.3031999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.9946876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.528000Z",
"spacegroup": 123
},
{
"id": "mp-1026661",
"created_at": "2022-09-04T14:39:30.433734Z",
"structure_string": "Na1 Mg14 Mo1\n1.0\n6.393118 0.000000 -0.000000\n-3.196559 5.536602 -0.000000\n0.000000 0.000000 9.994996\nNa Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.170596 0.835298 0.125000 Mg\n0.166287 0.833143 0.625000 Mg\n0.664702 0.329404 0.125000 Mg\n0.666857 0.333713 0.625000 Mg\n0.664702 0.835298 0.125000 Mg\n0.666857 0.833143 0.625000 Mg\n0.328986 0.171014 0.386929 Mg\n0.328986 0.171014 0.863071 Mg\n0.328986 0.657974 0.386929 Mg\n0.328986 0.657974 0.863071 Mg\n0.842026 0.171014 0.386929 Mg\n0.842026 0.171014 0.863071 Mg\n0.833333 0.666667 0.373260 Mg\n0.833333 0.666667 0.876740 Mg\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo-Na",
"density": 2.1553217339349917,
"density_atomic": 0.0452252870760128,
"volume": 353.7843767162353,
"volume_molar": 13.315870720462721,
"formula_full": "Na1 Mg14 Mo1",
"formula_reduced": "NaMg14Mo",
"formula_anonymous": "ABC14",
"energy": -32.33747458,
"energy_per_atom": -2.02109216125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.33747458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4116896,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.633000Z",
"spacegroup": 187
},
{
"id": "mp-1184335",
"created_at": "2022-09-04T14:45:06.681398Z",
"structure_string": "Eu3 Mg1\n1.0\n3.969638 0.000000 0.000000\n0.000000 6.044810 0.000000\n0.000000 0.000000 6.209441\nEu Mg\n3 1\ndirect\n0.000000 0.000000 0.988135 Eu\n0.500000 0.000000 0.476060 Eu\n0.500000 0.500000 0.850142 Eu\n0.000000 0.500000 0.352329 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 5.351585594742853,
"density_atomic": 0.02684565022427636,
"volume": 148.99992984274317,
"volume_molar": 22.4324637685781,
"formula_full": "Eu3 Mg1",
"formula_reduced": "Eu3Mg",
"formula_anonymous": "AB3",
"energy": -32.33625304,
"energy_per_atom": -8.08406326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.33625304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.1438507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.203000Z",
"spacegroup": 25
}
]
}