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=11477",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=11475",
"results": [
{
"id": "mp-1042",
"created_at": "2022-09-04T14:42:17.590444Z",
"structure_string": "Hf4 Si4\n1.0\n3.784728 0.000000 0.000000\n0.000000 5.252629 0.000000\n0.000000 0.000000 6.913315\nHf Si\n4 4\ndirect\n0.250000 0.374478 0.675127 Hf\n0.750000 0.625522 0.324873 Hf\n0.750000 0.874478 0.824873 Hf\n0.250000 0.125522 0.175127 Hf\n0.250000 0.859804 0.543945 Si\n0.750000 0.140196 0.456055 Si\n0.750000 0.359804 0.956055 Si\n0.250000 0.640196 0.043945 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Si"
],
"chemical_system": "Hf-Si",
"density": 9.983668576273503,
"density_atomic": 0.05820928182508098,
"volume": 137.43512630923738,
"volume_molar": 10.345670950032584,
"formula_full": "Hf4 Si4",
"formula_reduced": "HfSi",
"formula_anonymous": "AB",
"energy": -67.79026864,
"energy_per_atom": -8.47378358,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.07426864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.155000Z",
"spacegroup": 62
},
{
"id": "mp-510376",
"created_at": "2022-09-04T14:45:23.853068Z",
"structure_string": "Ce1 B1 Rh3\n1.0\n4.244156 0.000000 0.000000\n0.000000 4.244156 0.000000\n0.000000 0.000000 4.244156\nCe B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\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": [
"Ce",
"B",
"Rh"
],
"chemical_system": "B-Ce-Rh",
"density": 9.983807634140344,
"density_atomic": 0.06540274681827686,
"volume": 76.44938849269776,
"volume_molar": 9.207779570379001,
"formula_full": "Ce1 B1 Rh3",
"formula_reduced": "CeBRh3",
"formula_anonymous": "ABC3",
"energy": -38.51021805,
"energy_per_atom": -7.70204361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.51021805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009993,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.786000Z",
"spacegroup": 221
},
{
"id": "mp-1210999",
"created_at": "2022-09-04T14:46:05.616102Z",
"structure_string": "Lu6 Ga6 Ni12\n1.0\n2.565675 -4.443879 0.000000\n2.565675 4.443879 0.000000\n0.000000 0.000000 15.845648\nLu Ga Ni\n6 6 12\ndirect\n0.333333 0.666667 0.542351 Lu\n0.666667 0.333333 0.457649 Lu\n0.666667 0.333333 0.042351 Lu\n0.333333 0.666667 0.957649 Lu\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.000000 0.000000 0.250000 Ga\n0.000000 0.000000 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.168496 0.336991 0.125735 Ni\n0.831504 0.663009 0.874265 Ni\n0.663009 0.831504 0.125735 Ni\n0.831504 0.663009 0.625735 Ni\n0.336991 0.168496 0.874265 Ni\n0.168496 0.336991 0.374265 Ni\n0.168496 0.831504 0.125735 Ni\n0.336991 0.168496 0.625735 Ni\n0.831504 0.168496 0.874265 Ni\n0.663009 0.831504 0.374265 Ni\n0.831504 0.168496 0.625735 Ni\n0.168496 0.831504 0.374265 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"Ni"
],
"chemical_system": "Ga-Lu-Ni",
"density": 9.983830029430962,
"density_atomic": 0.0664213004334172,
"volume": 361.3298722457016,
"volume_molar": 9.066580631068469,
"formula_full": "Lu6 Ga6 Ni12",
"formula_reduced": "LuGaNi2",
"formula_anonymous": "ABC2",
"energy": -129.15436425,
"energy_per_atom": -5.38143184375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.15436425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.925000Z",
"spacegroup": 194
},
{
"id": "mp-1195984",
"created_at": "2022-09-04T14:41:28.601812Z",
"structure_string": "Yb6 Ge26 Ir8\n1.0\n9.055449 0.000000 0.000000\n0.000000 9.055449 0.000000\n0.000000 0.000000 9.055449\nYb Ge Ir\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Yb\n0.500000 0.250000 0.000000 Yb\n0.750000 0.000000 0.500000 Yb\n0.000000 0.500000 0.250000 Yb\n0.500000 0.750000 0.000000 Yb\n0.250000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.806754 0.355131 0.500000 Ge\n0.644869 0.500000 0.806754 Ge\n0.500000 0.193246 0.644869 Ge\n0.193246 0.644869 0.500000 Ge\n0.355131 0.500000 0.193246 Ge\n0.500000 0.806754 0.355131 Ge\n0.806754 0.644869 0.500000 Ge\n0.644869 0.500000 0.193246 Ge\n0.193246 0.355131 0.500000 Ge\n0.355131 0.500000 0.806754 Ge\n0.500000 0.806754 0.644869 Ge\n0.500000 0.193246 0.355131 Ge\n0.306754 0.000000 0.855131 Ge\n0.144869 0.306754 0.000000 Ge\n0.000000 0.144869 0.693246 Ge\n0.693246 0.000000 0.144869 Ge\n0.855131 0.693246 0.000000 Ge\n0.000000 0.855131 0.306754 Ge\n0.306754 0.000000 0.144869 Ge\n0.144869 0.693246 0.000000 Ge\n0.693246 0.000000 0.855131 Ge\n0.855131 0.306754 0.000000 Ge\n0.000000 0.144869 0.306754 Ge\n0.000000 0.855131 0.693246 Ge\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Yb",
"density": 9.98396941309162,
"density_atomic": 0.05386789741375312,
"volume": 742.5572914562565,
"volume_molar": 11.179461328784807,
"formula_full": "Yb6 Ge26 Ir8",
"formula_reduced": "Yb3Ge13Ir4",
"formula_anonymous": "A3B4C13",
"energy": -219.5242172,
"energy_per_atom": -5.48810543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.5242172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1863641,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.948000Z",
"spacegroup": 223
},
{
"id": "mp-1187916",
"created_at": "2022-09-04T14:47:57.996946Z",
"structure_string": "Zn1 In1 Pd2\n1.0\n0.000000 3.197377 3.197377\n3.197377 0.000000 3.197377\n3.197377 3.197377 0.000000\nZn In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"In",
"Pd"
],
"chemical_system": "In-Pd-Zn",
"density": 9.98399020216074,
"density_atomic": 0.06118549190306055,
"volume": 65.37497494238363,
"volume_molar": 9.842432532112678,
"formula_full": "Zn1 In1 Pd2",
"formula_reduced": "ZnInPd2",
"formula_anonymous": "ABC2",
"energy": -16.43119156,
"energy_per_atom": -4.10779789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.43119156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.166000Z",
"spacegroup": 225
},
{
"id": "mp-1215327",
"created_at": "2022-09-04T14:44:11.408774Z",
"structure_string": "Zr4 Al4 Ir4\n1.0\n2.696540 -4.619150 0.000000\n2.696540 4.619150 0.000000\n0.000000 0.000000 8.290068\nZr Al Ir\n4 4 4\ndirect\n0.334637 0.665363 0.208187 Zr\n0.670231 0.329769 0.322501 Zr\n0.670231 0.329769 0.677499 Zr\n0.334637 0.665363 0.791813 Zr\n0.994421 0.005579 0.254716 Al\n0.994421 0.005579 0.745284 Al\n0.828797 0.655219 0.000000 Al\n0.344781 0.171203 0.000000 Al\n0.830485 0.169515 0.000000 Ir\n0.169527 0.337977 0.500000 Ir\n0.662023 0.830473 0.500000 Ir\n0.166201 0.833799 0.500000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Zr",
"density": 9.984017049325747,
"density_atomic": 0.05810643419761416,
"volume": 206.5175770240728,
"volume_molar": 10.363982652109236,
"formula_full": "Zr4 Al4 Ir4",
"formula_reduced": "ZrAlIr",
"formula_anonymous": "ABC",
"energy": -94.38484009,
"energy_per_atom": -7.865403340833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.38484009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.962000Z",
"spacegroup": 38
},
{
"id": "mp-974782",
"created_at": "2022-09-04T14:44:19.987833Z",
"structure_string": "Nd1 Tl1 Ag2\n1.0\n0.000000 3.607084 3.607084\n3.607084 0.000000 3.607084\n3.607084 3.607084 0.000000\nNd Tl Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Ag"
],
"chemical_system": "Ag-Nd-Tl",
"density": 9.984075731714464,
"density_atomic": 0.0426148758398471,
"volume": 93.86393650500312,
"volume_molar": 14.131545948020783,
"formula_full": "Nd1 Tl1 Ag2",
"formula_reduced": "NdTlAg2",
"formula_anonymous": "ABC2",
"energy": -13.82131192,
"energy_per_atom": -3.45532798,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.82131192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.269000Z",
"spacegroup": 225
},
{
"id": "mp-973433",
"created_at": "2022-09-04T14:40:30.648107Z",
"structure_string": "Lu1 Sc1 Ru2\n1.0\n0.000000 3.274123 3.274123\n3.274123 0.000000 3.274123\n3.274123 3.274123 0.000000\nLu Sc Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Sc",
"Ru"
],
"chemical_system": "Lu-Ru-Sc",
"density": 9.984155142327428,
"density_atomic": 0.05698296244286146,
"volume": 70.19642062328579,
"volume_molar": 10.568318146039848,
"formula_full": "Lu1 Sc1 Ru2",
"formula_reduced": "LuScRu2",
"formula_anonymous": "ABC2",
"energy": -31.40161533,
"energy_per_atom": -7.8504038325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.40161533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027735,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.213000Z",
"spacegroup": 225
},
{
"id": "mp-862914",
"created_at": "2022-09-04T14:44:03.059934Z",
"structure_string": "Er2 Zn1 Tc1\n1.0\n0.000000 3.459552 3.459552\n3.459552 0.000000 3.459552\n3.459552 3.459552 0.000000\nEr Zn Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Zn",
"Tc"
],
"chemical_system": "Er-Tc-Zn",
"density": 9.98447398729802,
"density_atomic": 0.04830258876248611,
"volume": 82.8112965056352,
"volume_molar": 12.467532101875783,
"formula_full": "Er2 Zn1 Tc1",
"formula_reduced": "Er2ZnTc",
"formula_anonymous": "ABC2",
"energy": -21.50080557,
"energy_per_atom": -5.3752013925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.50080557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.461000Z",
"spacegroup": 225
},
{
"id": "mp-1188015",
"created_at": "2022-09-04T14:47:06.426247Z",
"structure_string": "Zr1 Sb1 Ru2\n1.0\n0.000000 3.256025 3.256025\n3.256025 0.000000 3.256025\n3.256025 3.256025 0.000000\nZr Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zr",
"density": 9.984670831834645,
"density_atomic": 0.05793844076695527,
"volume": 69.03879267461005,
"volume_molar": 10.394033184673964,
"formula_full": "Zr1 Sb1 Ru2",
"formula_reduced": "ZrSbRu2",
"formula_anonymous": "ABC2",
"energy": -32.8704954,
"energy_per_atom": -8.21762385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.8704954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.388000Z",
"spacegroup": 225
},
{
"id": "mp-1228811",
"created_at": "2022-09-04T14:47:02.436991Z",
"structure_string": "B11 Rh18\n1.0\n5.535408 0.000000 0.000000\n-0.051793 6.919309 0.000000\n-0.727902 -3.279696 8.559186\nB Rh\n11 18\ndirect\n0.649577 0.957180 0.456166 B\n0.353622 0.043350 0.545980 B\n0.983565 0.622028 0.185964 B\n0.018997 0.376706 0.808638 B\n0.908999 0.903536 0.779524 B\n0.093937 0.097881 0.222412 B\n0.537754 0.231608 0.941188 B\n0.462260 0.767987 0.058289 B\n0.790008 0.233302 0.269456 B\n0.211107 0.760012 0.726199 B\n0.846173 0.473531 0.454508 B\n0.740313 0.525715 0.973549 Rh\n0.258002 0.473833 0.023412 Rh\n0.574246 0.854934 0.870054 Rh\n0.424813 0.144976 0.129757 Rh\n0.849349 0.560513 0.691081 Rh\n0.150713 0.445025 0.312369 Rh\n0.459272 0.742498 0.543903 Rh\n0.536368 0.257913 0.454508 Rh\n0.338992 0.478628 0.729336 Rh\n0.654133 0.525873 0.268347 Rh\n0.896651 0.184773 0.034604 Rh\n0.104185 0.816793 0.965623 Rh\n0.724067 0.145440 0.720958 Rh\n0.276868 0.853986 0.280368 Rh\n0.231736 0.097588 0.769667 Rh\n0.769025 0.900182 0.229136 Rh\n0.955808 0.800526 0.518403 Rh\n0.041461 0.196681 0.484600 Rh\n",
"nsites": 29,
"nelements": 2,
"elements": [
"B",
"Rh"
],
"chemical_system": "B-Rh",
"density": 9.984799938392701,
"density_atomic": 0.08846127020811342,
"volume": 327.82708106920444,
"volume_molar": 6.807658024616139,
"formula_full": "B11 Rh18",
"formula_reduced": "B11Rh18",
"formula_anonymous": "A11B18",
"energy": -214.37347514,
"energy_per_atom": -7.392188797931035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.37347514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.979000Z",
"spacegroup": 1
},
{
"id": "mp-1103450",
"created_at": "2022-09-04T14:47:26.926252Z",
"structure_string": "Sm4 Al4 Pt4\n1.0\n4.470926 0.000000 0.000000\n0.000000 7.066097 0.000000\n0.000000 0.000000 7.841974\nSm Al Pt\n4 4 4\ndirect\n0.250000 0.029759 0.682088 Sm\n0.250000 0.529759 0.817912 Sm\n0.750000 0.970241 0.317912 Sm\n0.750000 0.470241 0.182088 Sm\n0.250000 0.146731 0.065910 Al\n0.250000 0.646731 0.434090 Al\n0.750000 0.853269 0.934090 Al\n0.750000 0.353269 0.565910 Al\n0.250000 0.280070 0.387980 Pt\n0.250000 0.780070 0.112020 Pt\n0.750000 0.719930 0.612020 Pt\n0.750000 0.219930 0.887980 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Sm",
"density": 9.984954002578505,
"density_atomic": 0.048437171144980994,
"volume": 247.74361748091943,
"volume_molar": 12.432891140514112,
"formula_full": "Sm4 Al4 Pt4",
"formula_reduced": "SmAlPt",
"formula_anonymous": "ABC",
"energy": -71.24810282,
"energy_per_atom": -5.937341901666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.24810282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016929,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.602000Z",
"spacegroup": 62
}
]
}