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=123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=121",
"results": [
{
"id": "mp-1225469",
"created_at": "2022-09-04T14:47:18.370693Z",
"structure_string": "Dy5 P12 Ir19\n1.0\n6.361468 -11.018386 0.000000\n6.361468 11.018386 0.000000\n0.000000 0.000000 3.979172\nDy P Ir\n5 12 19\ndirect\n0.333333 0.666667 0.500000 Dy\n0.666667 0.333333 0.500000 Dy\n0.000000 0.814825 0.000000 Dy\n0.185175 0.185175 0.000000 Dy\n0.814825 0.000000 0.000000 Dy\n0.000000 0.642154 0.500000 P\n0.357846 0.357846 0.500000 P\n0.642154 0.000000 0.500000 P\n0.517303 0.688518 0.000000 P\n0.311482 0.828785 0.000000 P\n0.171215 0.482697 0.000000 P\n0.482697 0.171215 0.000000 P\n0.688518 0.517303 0.000000 P\n0.828785 0.311482 0.000000 P\n0.000000 0.177963 0.500000 P\n0.822037 0.822037 0.500000 P\n0.177963 0.000000 0.500000 P\n0.506076 0.867164 0.000000 Ir\n0.132836 0.638913 0.000000 Ir\n0.361087 0.493924 0.000000 Ir\n0.493924 0.361087 0.000000 Ir\n0.867164 0.506076 0.000000 Ir\n0.638913 0.132836 0.000000 Ir\n0.000000 0.462688 0.500000 Ir\n0.537312 0.537312 0.500000 Ir\n0.462688 0.000000 0.500000 Ir\n0.000000 0.284428 0.000000 Ir\n0.715572 0.715572 0.000000 Ir\n0.284428 0.000000 0.000000 Ir\n0.624637 0.805650 0.500000 Ir\n0.194350 0.818987 0.500000 Ir\n0.181013 0.375363 0.500000 Ir\n0.375363 0.181013 0.500000 Ir\n0.805650 0.624637 0.500000 Ir\n0.818987 0.194350 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Dy",
"P",
"Ir"
],
"chemical_system": "Dy-Ir-P",
"density": 14.39676860098344,
"density_atomic": 0.06453635955981285,
"volume": 557.8250810170798,
"volume_molar": 9.331392103731275,
"formula_full": "Dy5 P12 Ir19",
"formula_reduced": "Dy5P12Ir19",
"formula_anonymous": "A5B12C19",
"energy": -284.97520691,
"energy_per_atom": -7.915977969722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.97520691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2591143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.337000Z",
"spacegroup": 189
},
{
"id": "mp-999376",
"created_at": "2022-09-04T14:44:14.589863Z",
"structure_string": "Nb2 Pt2\n1.0\n2.829741 0.000000 0.000000\n0.000000 4.648473 0.000000\n0.000000 0.000000 5.050609\nNb Pt\n2 2\ndirect\n0.000000 0.250000 0.179690 Nb\n0.000000 0.750000 0.820310 Nb\n0.500000 0.250000 0.675016 Pt\n0.500000 0.750000 0.324984 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Pt"
],
"chemical_system": "Nb-Pt",
"density": 14.396480244627599,
"density_atomic": 0.0602086989931174,
"volume": 66.43558267979266,
"volume_molar": 10.002110759258237,
"formula_full": "Nb2 Pt2",
"formula_reduced": "NbPt",
"formula_anonymous": "AB",
"energy": -34.79346237,
"energy_per_atom": -8.6983655925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.79346237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.879000Z",
"spacegroup": 51
},
{
"id": "mp-1192636",
"created_at": "2022-09-04T14:40:20.331925Z",
"structure_string": "Co12 W12 C4\n1.0\n0.000000 5.548182 5.548182\n5.548182 0.000000 5.548182\n5.548182 5.548182 0.000000\nCo W C\n12 12 4\ndirect\n0.125000 0.125000 0.625000 Co\n0.125000 0.625000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.330135 0.330135 0.009594 Co\n0.330135 0.009594 0.330135 Co\n0.009594 0.330135 0.330135 Co\n0.330135 0.330135 0.330135 Co\n0.919865 0.919865 0.240406 Co\n0.919865 0.240406 0.919865 Co\n0.240406 0.919865 0.919865 Co\n0.919865 0.919865 0.919865 Co\n0.952795 0.952795 0.547205 W\n0.547205 0.952795 0.547205 W\n0.952795 0.547205 0.547205 W\n0.547205 0.547205 0.952795 W\n0.952795 0.547205 0.952795 W\n0.547205 0.952795 0.952795 W\n0.297205 0.297205 0.702795 W\n0.702795 0.297205 0.702795 W\n0.297205 0.702795 0.702795 W\n0.702795 0.702795 0.297205 W\n0.297205 0.702795 0.297205 W\n0.702795 0.297205 0.297205 W\n0.625000 0.625000 0.125000 C\n0.625000 0.125000 0.625000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.625000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Co",
"W",
"C"
],
"chemical_system": "C-Co-W",
"density": 14.396353815240214,
"density_atomic": 0.08197396435736805,
"volume": 341.57186637861173,
"volume_molar": 7.34640663924254,
"formula_full": "Co12 W12 C4",
"formula_reduced": "Co3W3C",
"formula_anonymous": "AB3C3",
"energy": -277.55507126,
"energy_per_atom": -9.91268111642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.55507126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9224626,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.106000Z",
"spacegroup": 227
},
{
"id": "mp-1006127",
"created_at": "2022-09-04T14:41:12.184026Z",
"structure_string": "Pa6 Mo2\n1.0\n3.075021 -5.326093 0.000000\n3.075021 5.326093 0.000000\n0.000000 0.000000 5.557072\nPa Mo\n6 2\ndirect\n0.825976 0.174024 0.750000 Pa\n0.348048 0.174024 0.750000 Pa\n0.825976 0.651952 0.750000 Pa\n0.174024 0.825976 0.250000 Pa\n0.651952 0.825976 0.250000 Pa\n0.174024 0.348048 0.250000 Pa\n0.666667 0.333333 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Mo"
],
"chemical_system": "Mo-Pa",
"density": 14.396252904020763,
"density_atomic": 0.04394982357948992,
"volume": 182.02575911438615,
"volume_molar": 13.70230929165858,
"formula_full": "Pa6 Mo2",
"formula_reduced": "Pa3Mo",
"formula_anonymous": "AB3",
"energy": -77.08654528,
"energy_per_atom": -9.63581816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.08654528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.987000Z",
"spacegroup": 194
},
{
"id": "mp-1226352",
"created_at": "2022-09-04T14:39:45.622833Z",
"structure_string": "Cr2 Ir2 C1\n1.0\n8.851325 -1.374860 0.000000\n8.851325 1.374860 0.000000\n8.637770 0.000000 2.371733\nCr Ir C\n2 2 1\ndirect\n0.377108 0.377108 0.377108 Cr\n0.622892 0.622892 0.622892 Cr\n0.877994 0.877994 0.877994 Ir\n0.122006 0.122006 0.122006 Ir\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Ir",
"C"
],
"chemical_system": "C-Cr-Ir",
"density": 14.395802056793254,
"density_atomic": 0.08661785968327469,
"volume": 57.7248158553318,
"volume_molar": 6.952539328517759,
"formula_full": "Cr2 Ir2 C1",
"formula_reduced": "Cr2Ir2C",
"formula_anonymous": "AB2C2",
"energy": -47.0796048,
"energy_per_atom": -9.41592096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.0796048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.963000Z",
"spacegroup": 166
},
{
"id": "mp-30419",
"created_at": "2022-09-04T14:44:02.342583Z",
"structure_string": "U1 Sn1 Au2\n1.0\n0.000000 3.511418 3.511418\n3.511418 0.000000 3.511418\n3.511418 3.511418 0.000000\nU Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Sn",
"Au"
],
"chemical_system": "Au-Sn-U",
"density": 14.395334252144732,
"density_atomic": 0.04619366308607957,
"volume": 86.59196376234985,
"volume_molar": 13.03672486154225,
"formula_full": "U1 Sn1 Au2",
"formula_reduced": "USnAu2",
"formula_anonymous": "ABC2",
"energy": -22.75836695,
"energy_per_atom": -5.6895917375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.75836695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1521747,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.066000Z",
"spacegroup": 225
},
{
"id": "mp-1224295",
"created_at": "2022-09-04T14:41:51.981096Z",
"structure_string": "Hf1 Ta5 B4\n1.0\n0.000000 0.000000 3.314770\n6.261211 0.000000 0.000000\n0.000000 6.261211 0.000000\nHf Ta B\n1 5 4\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.172878 0.678813 Ta\n0.500000 0.827122 0.321187 Ta\n0.500000 0.321187 0.172878 Ta\n0.500000 0.678813 0.827122 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.606889 0.105112 B\n0.000000 0.393111 0.894888 B\n0.000000 0.894888 0.606889 B\n0.000000 0.105112 0.393111 B\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"B"
],
"chemical_system": "B-Hf-Ta",
"density": 14.394611883506492,
"density_atomic": 0.07695377358932914,
"volume": 129.94814332778424,
"volume_molar": 7.8256601062057145,
"formula_full": "Hf1 Ta5 B4",
"formula_reduced": "HfTa5B4",
"formula_anonymous": "AB4C5",
"energy": -101.96114762,
"energy_per_atom": -10.196114762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.96114762,
"band_gap": 0.2497999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.445000Z",
"spacegroup": 83
},
{
"id": "mp-1096829",
"created_at": "2022-09-04T14:47:39.542622Z",
"structure_string": "B2 Pt2\n1.0\n1.614714 -2.796766 0.000000\n1.614714 2.796766 0.000000\n0.000000 0.000000 5.261273\nB Pt\n2 2\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Pt"
],
"chemical_system": "B-Pt",
"density": 14.38971917085515,
"density_atomic": 0.08417583173336601,
"volume": 47.51957797898967,
"volume_molar": 7.154239686131804,
"formula_full": "B2 Pt2",
"formula_reduced": "BPt",
"formula_anonymous": "AB",
"energy": -25.25294805,
"energy_per_atom": -6.3132370125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.25294805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015127,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.766000Z",
"spacegroup": 194
},
{
"id": "mp-1102298",
"created_at": "2022-09-04T14:45:14.630699Z",
"structure_string": "Eu3 B2 Pt7\n1.0\n7.929384 -2.812735 0.000000\n7.929384 2.812735 0.000000\n6.931642 0.000000 4.768537\nEu B Pt\n3 2 7\ndirect\n0.855819 0.855819 0.855819 Eu\n0.144181 0.144181 0.144181 Eu\n0.000000 0.000000 0.000000 Eu\n0.668940 0.668940 0.668940 B\n0.331060 0.331060 0.331060 B\n0.436160 0.932235 0.436160 Pt\n0.436160 0.436160 0.932235 Pt\n0.932235 0.436160 0.436160 Pt\n0.563840 0.067765 0.563840 Pt\n0.563840 0.563840 0.067765 Pt\n0.067765 0.563840 0.563840 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"B",
"Pt"
],
"chemical_system": "B-Eu-Pt",
"density": 14.388484323654765,
"density_atomic": 0.05641542005817146,
"volume": 212.7078020092109,
"volume_molar": 10.674636037080658,
"formula_full": "Eu3 B2 Pt7",
"formula_reduced": "Eu3B2Pt7",
"formula_anonymous": "A2B3C7",
"energy": -96.69796734,
"energy_per_atom": -8.058163945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.69796734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.9563944,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.156000Z",
"spacegroup": 166
},
{
"id": "mp-1186827",
"created_at": "2022-09-04T14:43:56.413316Z",
"structure_string": "Pu3 Zr1\n1.0\n-2.298070 2.298070 4.497924\n2.298070 -2.298070 4.497924\n2.298070 2.298070 -4.497924\nPu Zr\n3 1\ndirect\n0.749999 0.249999 0.500000 Pu\n0.249999 0.749999 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Zr"
],
"chemical_system": "Pu-Zr",
"density": 14.386942560654322,
"density_atomic": 0.04209799191288697,
"volume": 95.01640858018044,
"volume_molar": 14.305054674487959,
"formula_full": "Pu3 Zr1",
"formula_reduced": "Pu3Zr",
"formula_anonymous": "AB3",
"energy": -50.53862957,
"energy_per_atom": -12.6346573925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.53862957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.8563162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.804000Z",
"spacegroup": 139
},
{
"id": "mp-1025268",
"created_at": "2022-09-04T14:39:32.849575Z",
"structure_string": "Pu2 W2 C3\n1.0\n1.642238 5.991732 0.000000\n-1.642238 5.991732 0.000000\n0.000000 2.260967 5.230076\nPu W C\n2 2 3\ndirect\n0.605643 0.605643 0.190919 Pu\n0.394357 0.394357 0.809081 Pu\n0.843703 0.843703 0.326788 W\n0.156297 0.156297 0.673212 W\n0.749258 0.749258 0.744039 C\n0.250742 0.250742 0.255961 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pu",
"W",
"C"
],
"chemical_system": "C-Pu-W",
"density": 14.386239457671492,
"density_atomic": 0.06800981094208805,
"volume": 102.92632640841575,
"volume_molar": 8.8548117934455,
"formula_full": "Pu2 W2 C3",
"formula_reduced": "Pu2W2C3",
"formula_anonymous": "A2B2C3",
"energy": -83.10000482,
"energy_per_atom": -11.87142926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.10000482,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.5090859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.956000Z",
"spacegroup": 12
},
{
"id": "mp-1192784",
"created_at": "2022-09-04T14:47:25.037153Z",
"structure_string": "Hf18 Co2 W8\n1.0\n4.346051 -7.527581 0.000000\n4.346051 7.527581 0.000000\n0.000000 0.000000 8.471623\nHf Co W\n18 2 8\ndirect\n0.201253 0.798747 0.440629 Hf\n0.201253 0.402506 0.440629 Hf\n0.597494 0.798747 0.440629 Hf\n0.798747 0.201253 0.559371 Hf\n0.798747 0.597494 0.559371 Hf\n0.402506 0.201253 0.559371 Hf\n0.798747 0.201253 0.940629 Hf\n0.798747 0.597494 0.940629 Hf\n0.402506 0.201253 0.940629 Hf\n0.201253 0.798747 0.059371 Hf\n0.201253 0.402506 0.059371 Hf\n0.597494 0.798747 0.059371 Hf\n0.541896 0.458104 0.250000 Hf\n0.541896 0.083791 0.250000 Hf\n0.916209 0.458104 0.250000 Hf\n0.458104 0.541896 0.750000 Hf\n0.458104 0.916209 0.750000 Hf\n0.083791 0.541896 0.750000 Hf\n0.333333 0.666667 0.250000 Co\n0.666667 0.333333 0.750000 Co\n0.887658 0.112342 0.250000 W\n0.887658 0.775317 0.250000 W\n0.224683 0.112342 0.250000 W\n0.112342 0.887658 0.750000 W\n0.112342 0.224683 0.750000 W\n0.775317 0.887658 0.750000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Co",
"W"
],
"chemical_system": "Co-Hf-W",
"density": 14.383702482120684,
"density_atomic": 0.05051393012292673,
"volume": 554.3025445032964,
"volume_molar": 11.921742666517913,
"formula_full": "Hf18 Co2 W8",
"formula_reduced": "Hf9CoW4",
"formula_anonymous": "AB4C9",
"energy": -301.31884615,
"energy_per_atom": -10.7613873625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.31884615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.020000Z",
"spacegroup": 194
}
]
}