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=nelements&page=55",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=53",
"results": [
{
"id": "mp-1194030",
"created_at": "2022-09-04T14:40:34.012404Z",
"structure_string": "Fe28\n1.0\n8.617901 0.000000 0.000000\n0.000000 8.617901 0.000000\n0.000000 0.000000 4.574472\nFe\n28\ndirect\n0.904908 0.095092 0.500000 Fe\n0.095092 0.904908 0.500000 Fe\n0.404908 0.404908 0.000000 Fe\n0.595092 0.595092 0.000000 Fe\n0.980907 0.366757 0.500000 Fe\n0.019093 0.633243 0.500000 Fe\n0.480907 0.133243 0.000000 Fe\n0.519093 0.866757 0.000000 Fe\n0.366757 0.980907 0.500000 Fe\n0.633243 0.019093 0.500000 Fe\n0.133243 0.480907 0.000000 Fe\n0.866757 0.519093 0.000000 Fe\n0.270736 0.468578 0.500000 Fe\n0.729264 0.531422 0.500000 Fe\n0.770736 0.031422 0.000000 Fe\n0.229264 0.968578 0.000000 Fe\n0.468578 0.270736 0.500000 Fe\n0.531422 0.729264 0.500000 Fe\n0.031422 0.770736 0.000000 Fe\n0.968578 0.229264 0.000000 Fe\n0.715388 0.284612 0.245616 Fe\n0.284612 0.715388 0.245616 Fe\n0.215388 0.215388 0.745616 Fe\n0.784612 0.784612 0.745616 Fe\n0.284612 0.715388 0.754384 Fe\n0.715388 0.284612 0.754384 Fe\n0.784612 0.784612 0.254384 Fe\n0.215388 0.215388 0.254384 Fe\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.642711200614063,
"density_atomic": 0.08241647892207345,
"volume": 339.7378821106226,
"volume_molar": 7.306961955623054,
"formula_full": "Fe28",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -232.25250972,
"energy_per_atom": -8.29473249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.25250972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 66.5546786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.414000Z",
"spacegroup": 136
},
{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
"volume_molar": 27.746292278105436,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.40693406,
"energy_per_atom": -1.40693406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.40693406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
},
{
"id": "mp-1181265",
"created_at": "2022-09-04T14:41:19.239506Z",
"structure_string": "H16\n1.0\n6.061511 0.000000 0.000000\n0.000000 6.507494 0.000000\n0.000000 0.000000 9.083183\nH\n16\ndirect\n0.750000 0.114251 0.817708 H\n0.750000 0.385749 0.317708 H\n0.250000 0.885749 0.182292 H\n0.250000 0.614251 0.682292 H\n0.750000 0.204237 0.049089 H\n0.750000 0.295763 0.549089 H\n0.250000 0.795763 0.950911 H\n0.250000 0.704237 0.450911 H\n0.903664 0.205616 0.044758 H\n0.596336 0.294384 0.544758 H\n0.403664 0.794384 0.955242 H\n0.096336 0.705616 0.455242 H\n0.096336 0.794384 0.955242 H\n0.403664 0.705616 0.455242 H\n0.596336 0.205616 0.044758 H\n0.903664 0.294384 0.544758 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.07474308556607644,
"density_atomic": 0.04465676352473224,
"volume": 358.28839210747384,
"volume_molar": 13.485394562158001,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -35.19699029,
"energy_per_atom": -2.199811893125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.19699029,
"band_gap": 1.5177999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.321000Z",
"spacegroup": 62
},
{
"id": "mp-1186429",
"created_at": "2022-09-04T14:41:33.995780Z",
"structure_string": "Pm1\n1.0\n0.000000 2.584081 2.584081\n2.584081 0.000000 2.584081\n2.584081 2.584081 0.000000\nPm\n1\ndirect\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.977000201890157,
"density_atomic": 0.028976880905414445,
"volume": 34.5102705589388,
"volume_molar": 20.782570697161333,
"formula_full": "Pm1",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -4.74098422,
"energy_per_atom": -4.74098422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.74098422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.603000Z",
"spacegroup": 225
},
{
"id": "mp-674158",
"created_at": "2022-09-04T14:41:51.266078Z",
"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.42149548918761226,
"density_atomic": 0.00819501733909508,
"volume": 122.02536719835948,
"volume_molar": 73.48539375592077,
"formula_full": "P1",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -1.89552785,
"energy_per_atom": -1.89552785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.89552785,
"band_gap": 2.0034,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
},
{
"id": "mp-12957",
"created_at": "2022-09-04T14:42:13.769954Z",
"structure_string": "O8\n1.0\n3.110107 4.377428 0.000000\n-3.110107 4.377428 0.000000\n0.000000 1.908312 3.953345\nO\n8\ndirect\n0.726541 0.213911 0.155391 O\n0.786089 0.273459 0.844609 O\n0.273459 0.786089 0.844609 O\n0.213911 0.726541 0.155391 O\n0.792252 0.792252 0.178320 O\n0.207748 0.207748 0.821680 O\n0.851778 0.851778 0.867359 O\n0.148222 0.148222 0.132641 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.9744844912403197,
"density_atomic": 0.07431918408687412,
"volume": 107.6438082346079,
"volume_molar": 8.103077064140699,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.58368804,
"energy_per_atom": -4.947961005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.58368804,
"band_gap": 1.1346,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.503000Z",
"spacegroup": 12
},
{
"id": "mp-10679",
"created_at": "2022-09-04T14:42:24.616798Z",
"structure_string": "Ba1\n1.0\n0.000000 3.175953 3.175953\n3.175953 0.000000 3.175953\n3.175953 3.175953 0.000000\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.5592036170430794,
"density_atomic": 0.015608019677661131,
"volume": 64.0696270668625,
"volume_molar": 38.583631263735185,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.90597036,
"energy_per_atom": -1.90597036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.90597036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.207000Z",
"spacegroup": 225
},
{
"id": "mp-1064244",
"created_at": "2022-09-04T14:42:57.492604Z",
"structure_string": "Sc4\n1.0\n5.422676 0.000000 0.000000\n0.000000 5.422676 0.000000\n0.000000 0.000000 3.435206\nSc\n4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.532664 Sc\n0.000000 0.500000 0.467336 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.956077409580834,
"density_atomic": 0.039598605549596946,
"volume": 101.01365804384275,
"volume_molar": 15.207961685563184,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -24.87992786,
"energy_per_atom": -6.219981965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.87992786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0881651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.099000Z",
"spacegroup": 129
},
{
"id": "mp-1403870",
"created_at": "2022-09-04T14:43:09.375894Z",
"structure_string": "Si8\n1.0\n-3.974623 0.000000 0.000000\n1.976217 5.084593 0.000000\n-0.110606 -2.650884 -8.615209\nSi\n8\ndirect\n0.094740 0.827655 0.917667 Si\n0.000724 0.211002 0.940289 Si\n0.566595 0.003634 0.759282 Si\n0.125707 0.361705 0.371541 Si\n0.841008 0.069501 0.198355 Si\n0.286715 0.842253 0.317670 Si\n0.567874 0.132669 0.488678 Si\n0.509253 0.566418 0.999908 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.142906835476681,
"density_atomic": 0.04594857347480511,
"volume": 174.1076902939462,
"volume_molar": 13.106262729357873,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -33.39652816,
"energy_per_atom": -4.17456602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.39652816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.232000Z",
"spacegroup": 1
},
{
"id": "mp-36",
"created_at": "2022-09-04T14:45:12.159663Z",
"structure_string": "Sc1\n1.0\n0.000000 2.309476 2.309476\n2.309476 0.000000 2.309476\n2.309476 2.309476 0.000000\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.0301599510943404,
"density_atomic": 0.04059099002843269,
"volume": 24.636009106935607,
"volume_molar": 14.83615146066081,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.28459597,
"energy_per_atom": -6.28459597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.28459597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.317000Z",
"spacegroup": 225
},
{
"id": "mp-1197020",
"created_at": "2022-09-04T14:43:34.611442Z",
"structure_string": "Ge34\n1.0\n0.000000 7.809953 7.809953\n7.809953 0.000000 7.809953\n7.809953 7.809953 0.000000\nGe\n34\ndirect\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.353724 0.353724 0.938828 Ge\n0.353724 0.938828 0.353724 Ge\n0.938828 0.353724 0.353724 Ge\n0.353724 0.353724 0.353724 Ge\n0.896276 0.896276 0.311172 Ge\n0.896276 0.311172 0.896276 Ge\n0.311172 0.896276 0.896276 Ge\n0.896276 0.896276 0.896276 Ge\n0.995239 0.387266 0.622256 Ge\n0.995239 0.995239 0.622256 Ge\n0.387266 0.995239 0.622256 Ge\n0.995239 0.622256 0.387266 Ge\n0.387266 0.622256 0.995239 Ge\n0.995239 0.622256 0.995239 Ge\n0.622256 0.995239 0.995239 Ge\n0.622256 0.387266 0.995239 Ge\n0.622256 0.995239 0.387266 Ge\n0.387266 0.995239 0.995239 Ge\n0.995239 0.995239 0.387266 Ge\n0.995239 0.387266 0.995239 Ge\n0.254761 0.862734 0.627744 Ge\n0.254761 0.254761 0.627744 Ge\n0.862734 0.254761 0.627744 Ge\n0.254761 0.627744 0.862734 Ge\n0.862734 0.627744 0.254761 Ge\n0.254761 0.627744 0.254761 Ge\n0.627744 0.254761 0.254761 Ge\n0.627744 0.862734 0.254761 Ge\n0.627744 0.254761 0.862734 Ge\n0.862734 0.254761 0.254761 Ge\n0.254761 0.254761 0.862734 Ge\n0.254761 0.862734 0.254761 Ge\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 4.304558292269342,
"density_atomic": 0.03568647570846574,
"volume": 952.7418812033135,
"volume_molar": 16.875134460451626,
"formula_full": "Ge34",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -146.06889571,
"energy_per_atom": -4.296143991470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.06889571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.433000Z",
"spacegroup": 227
},
{
"id": "mp-91",
"created_at": "2022-09-04T14:43:55.560345Z",
"structure_string": "W1\n1.0\n-1.593707 1.593707 1.593707\n1.593707 -1.593707 1.593707\n1.593707 1.593707 -1.593707\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.854007561757314,
"density_atomic": 0.06176103539286579,
"volume": 16.191438398643058,
"volume_molar": 9.750712114349747,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.95812647,
"energy_per_atom": -12.95812647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95812647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.617000Z",
"spacegroup": 229
}
]
}