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=12122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12120",
"results": [
{
"id": "mp-1078133",
"created_at": "2022-09-04T14:48:29.949021Z",
"structure_string": "U2 Re2 C3\n1.0\n1.521103 5.780893 0.000000\n-1.521103 5.780893 0.000000\n0.000000 1.464350 5.397462\nU Re C\n2 2 3\ndirect\n0.397577 0.397577 0.826622 U\n0.602423 0.602423 0.173378 U\n0.154800 0.154800 0.629604 Re\n0.845200 0.845200 0.370396 Re\n0.000000 0.000000 0.500000 C\n0.746419 0.746419 0.759899 C\n0.253581 0.253581 0.240101 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"Re",
"C"
],
"chemical_system": "C-Re-U",
"density": 15.473042431296363,
"density_atomic": 0.073743695423356,
"volume": 94.92336883598824,
"volume_molar": 8.166312693481693,
"formula_full": "U2 Re2 C3",
"formula_reduced": "U2Re2C3",
"formula_anonymous": "A2B2C3",
"energy": -75.73198042,
"energy_per_atom": -10.818854345714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.73198042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:56.098000Z",
"spacegroup": 12
},
{
"id": "mp-1185852",
"created_at": "2022-09-04T14:44:13.290607Z",
"structure_string": "Mg1 Au5\n1.0\n2.544422 -4.407068 0.000000\n2.544422 4.407068 0.000000\n0.000000 0.000000 4.826788\nMg Au\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Au\n0.000000 0.671194 0.000000 Au\n0.671194 0.000000 0.000000 Au\n0.328806 0.328806 0.000000 Au\n0.666667 0.333333 0.500000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 15.480054215262042,
"density_atomic": 0.05542735273531751,
"volume": 108.24980274002671,
"volume_molar": 10.864925822377907,
"formula_full": "Mg1 Au5",
"formula_reduced": "MgAu5",
"formula_anonymous": "AB5",
"energy": -19.53038824,
"energy_per_atom": -3.255064706666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.53038824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.694000Z",
"spacegroup": 189
},
{
"id": "mp-1221433",
"created_at": "2022-09-04T14:45:24.309044Z",
"structure_string": "Mo1 Pt1\n1.0\n1.410737 -2.443469 0.000000\n1.410737 2.443469 0.000000\n0.000000 0.000000 4.527088\nMo Pt\n1 1\ndirect\n0.666667 0.333333 0.000000 Mo\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt",
"density": 15.483747493744733,
"density_atomic": 0.06408083658519681,
"volume": 31.21057880293055,
"volume_molar": 9.397724937616003,
"formula_full": "Mo1 Pt1",
"formula_reduced": "MoPt",
"formula_anonymous": "AB",
"energy": -17.23770152,
"energy_per_atom": -8.61885076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.23770152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.336000Z",
"spacegroup": 187
},
{
"id": "mp-865131",
"created_at": "2022-09-04T14:41:14.992412Z",
"structure_string": "Hf2 Os1 Rh1\n1.0\n0.000000 3.266263 3.266263\n3.266263 0.000000 3.266263\n3.266263 3.266263 0.000000\nHf Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Os",
"Rh"
],
"chemical_system": "Hf-Os-Rh",
"density": 15.490169448488693,
"density_atomic": 0.0573953279669766,
"volume": 69.6920836884401,
"volume_molar": 10.492388445737157,
"formula_full": "Hf2 Os1 Rh1",
"formula_reduced": "Hf2OsRh",
"formula_anonymous": "ABC2",
"energy": -41.66276204,
"energy_per_atom": -10.41569051,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.66276204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.063000Z",
"spacegroup": 225
},
{
"id": "mp-1009831",
"created_at": "2022-09-04T14:47:57.307476Z",
"structure_string": "Ta1 N1\n1.0\n2.754331 0.000000 0.000000\n0.000000 2.754331 0.000000\n0.000000 0.000000 2.754331\nTa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 15.492951076403019,
"density_atomic": 0.09571535298338232,
"volume": 20.89528939361725,
"volume_molar": 6.291718697464907,
"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -21.26687767,
"energy_per_atom": -10.633438835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.90587767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.895000Z",
"spacegroup": 221
},
{
"id": "mp-1105186",
"created_at": "2022-09-04T14:42:39.942398Z",
"structure_string": "Cu3 B5 Pt9\n1.0\n4.544381 -7.871099 0.000000\n4.544381 7.871099 0.000000\n0.000000 0.000000 2.996901\nCu B Pt\n3 5 9\ndirect\n0.459177 0.000000 0.000000 Cu\n0.000000 0.459177 0.000000 Cu\n0.540823 0.540823 0.000000 Cu\n0.811414 0.000000 0.500000 B\n0.000000 0.811414 0.500000 B\n0.188586 0.188586 0.500000 B\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.804443 0.538384 0.500000 Pt\n0.461616 0.266059 0.500000 Pt\n0.733941 0.195557 0.500000 Pt\n0.266059 0.461616 0.500000 Pt\n0.195557 0.733941 0.500000 Pt\n0.538384 0.804443 0.500000 Pt\n0.176998 0.000000 0.000000 Pt\n0.000000 0.176998 0.000000 Pt\n0.823002 0.823002 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Cu",
"B",
"Pt"
],
"chemical_system": "B-Cu-Pt",
"density": 15.494018805925542,
"density_atomic": 0.07929328654384424,
"volume": 214.3939385158422,
"volume_molar": 7.5947675049011005,
"formula_full": "Cu3 B5 Pt9",
"formula_reduced": "Cu3B5Pt9",
"formula_anonymous": "A3B5C9",
"energy": -103.91032906,
"energy_per_atom": -6.112372297647059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.91032906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009482,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.627000Z",
"spacegroup": 189
},
{
"id": "mp-1221441",
"created_at": "2022-09-04T14:40:15.791209Z",
"structure_string": "Mo4 Pt4\n1.0\n2.837067 -4.881410 0.000000\n2.837067 4.881410 0.000000\n0.000000 0.000000 4.503795\nMo Pt\n4 4\ndirect\n0.334811 0.665189 0.000000 Mo\n0.666746 0.333254 0.500000 Mo\n0.820549 0.660927 0.000000 Mo\n0.339073 0.179451 0.000000 Mo\n0.835070 0.164930 0.000000 Pt\n0.166125 0.329585 0.500000 Pt\n0.670415 0.833875 0.500000 Pt\n0.167460 0.832540 0.500000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt",
"density": 15.495814385604287,
"density_atomic": 0.06413077646736395,
"volume": 124.74509807426371,
"volume_molar": 9.390406746540263,
"formula_full": "Mo4 Pt4",
"formula_reduced": "MoPt",
"formula_anonymous": "AB",
"energy": -69.36488651,
"energy_per_atom": -8.67061081375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.36488651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.991000Z",
"spacegroup": 38
},
{
"id": "mp-1184847",
"created_at": "2022-09-04T14:46:33.577402Z",
"structure_string": "Ho1 Lu1 Ir2\n1.0\n0.000000 3.385622 3.385622\n3.385622 0.000000 3.385622\n3.385622 3.385622 0.000000\nHo Lu Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Lu",
"Ir"
],
"chemical_system": "Ho-Ir-Lu",
"density": 15.496761955956837,
"density_atomic": 0.05153646088656537,
"volume": 77.61495320379534,
"volume_molar": 11.685204331851713,
"formula_full": "Ho1 Lu1 Ir2",
"formula_reduced": "HoLuIr2",
"formula_anonymous": "ABC2",
"energy": -30.48357784,
"energy_per_atom": -7.62089446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.48357784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.374000Z",
"spacegroup": 225
},
{
"id": "mp-1102249",
"created_at": "2022-09-04T14:41:04.463915Z",
"structure_string": "Tb4 Re8\n1.0\n2.724105 -4.718288 0.000000\n2.724105 4.718288 0.000000\n0.000000 0.000000 8.858861\nTb Re\n4 8\ndirect\n0.333333 0.666667 0.437361 Tb\n0.666667 0.333333 0.562639 Tb\n0.666667 0.333333 0.937361 Tb\n0.333333 0.666667 0.062639 Tb\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.828627 0.171373 0.250000 Re\n0.828627 0.657253 0.250000 Re\n0.342747 0.171373 0.250000 Re\n0.171373 0.828627 0.750000 Re\n0.171373 0.342747 0.750000 Re\n0.657253 0.828627 0.750000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Re"
],
"chemical_system": "Re-Tb",
"density": 15.497616015964121,
"density_atomic": 0.052694473950490664,
"volume": 227.72786405031115,
"volume_molar": 11.428410435709313,
"formula_full": "Tb4 Re8",
"formula_reduced": "TbRe2",
"formula_anonymous": "AB2",
"energy": -120.44283442,
"energy_per_atom": -10.036902868333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.44283442,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.754000Z",
"spacegroup": 194
},
{
"id": "mp-11483",
"created_at": "2022-09-04T14:40:19.473223Z",
"structure_string": "Tm1 Ir1\n1.0\n3.382318 0.000000 0.000000\n0.000000 3.382318 0.000000\n0.000000 0.000000 3.382318\nTm Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Ir"
],
"chemical_system": "Ir-Tm",
"density": 15.498685342120284,
"density_atomic": 0.051687637849781407,
"volume": 38.69397177353227,
"volume_molar": 11.651027229183908,
"formula_full": "Tm1 Ir1",
"formula_reduced": "TmIr",
"formula_anonymous": "AB",
"energy": -15.23019288,
"energy_per_atom": -7.61509644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.23019288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51Z",
"spacegroup": 221
},
{
"id": "mp-1812",
"created_at": "2022-09-04T14:45:35.132209Z",
"structure_string": "Hg10 Au12\n1.0\n3.602089 -6.239001 0.000000\n3.602089 6.239001 0.000000\n0.000000 0.000000 10.410493\nHg Au\n10 12\ndirect\n0.585056 0.000000 0.250000 Hg\n0.585056 0.585056 0.750000 Hg\n0.000000 0.414944 0.750000 Hg\n0.000000 0.585056 0.250000 Hg\n0.414944 0.414944 0.250000 Hg\n0.414944 0.000000 0.750000 Hg\n0.333333 0.666667 0.000000 Hg\n0.666667 0.333333 0.500000 Hg\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.500000 Hg\n0.238602 0.000000 0.110741 Au\n0.238602 0.238602 0.610741 Au\n0.000000 0.761398 0.610741 Au\n0.000000 0.238602 0.110741 Au\n0.761398 0.761398 0.110741 Au\n0.238602 0.000000 0.389259 Au\n0.761398 0.761398 0.389259 Au\n0.761398 0.000000 0.610741 Au\n0.000000 0.238602 0.389259 Au\n0.000000 0.761398 0.889259 Au\n0.761398 0.000000 0.889259 Au\n0.238602 0.238602 0.889259 Au\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Hg",
"Au"
],
"chemical_system": "Au-Hg",
"density": 15.506362703326982,
"density_atomic": 0.0470166730059834,
"volume": 467.9191145064699,
"volume_molar": 12.808521690238726,
"formula_full": "Hg10 Au12",
"formula_reduced": "Hg5Au6",
"formula_anonymous": "A5B6",
"energy": -41.89719091,
"energy_per_atom": -1.9044177686363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.89719091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.160000Z",
"spacegroup": 193
},
{
"id": "mp-973534",
"created_at": "2022-09-04T14:45:13.392872Z",
"structure_string": "Fe1 Re1\n1.0\n1.344357 -2.328494 0.000000\n1.344357 2.328494 0.000000\n0.000000 0.000000 4.139929\nFe Re\n1 1\ndirect\n0.666667 0.333333 0.500000 Fe\n0.333333 0.666667 0.000000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Re"
],
"chemical_system": "Fe-Re",
"density": 15.507619917147313,
"density_atomic": 0.07716446881324172,
"volume": 25.918664778740656,
"volume_molar": 7.804292380441525,
"formula_full": "Fe1 Re1",
"formula_reduced": "FeRe",
"formula_anonymous": "AB",
"energy": -20.72352177,
"energy_per_atom": -10.361760885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.72352177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.493000Z",
"spacegroup": 187
}
]
}