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=volume&page=37",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=35",
"results": [
{
"id": "mp-27731",
"created_at": "2022-09-04T14:48:30.899087Z",
"structure_string": "Hf1 H2\n1.0\n-1.750463 1.750463 2.132927\n1.750463 -1.750463 2.132927\n1.750463 1.750463 -2.132927\nHf H\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"H"
],
"chemical_system": "H-Hf",
"density": 11.465647802373157,
"density_atomic": 0.11475705665821617,
"volume": 26.142183211747714,
"volume_molar": 5.247730235828454,
"formula_full": "Hf1 H2",
"formula_reduced": "HfH2",
"formula_anonymous": "AB2",
"energy": -18.53463639,
"energy_per_atom": -6.1782121299999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.17663639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:53.479000Z",
"spacegroup": 139
},
{
"id": "mp-1185402",
"created_at": "2022-09-04T14:43:09.142553Z",
"structure_string": "Li1 Mn1\n1.0\n2.547761 0.001504 0.003630\n-1.272577 2.207289 -0.003632\n0.006391 -0.003694 4.655817\nLi Mn\n1 1\ndirect\n0.666732 0.333363 0.750007 Li\n0.333272 0.666641 0.249990 Mn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mn"
],
"chemical_system": "Li-Mn",
"density": 3.9231260695105568,
"density_atomic": 0.07636064007769552,
"volume": 26.19150386855109,
"volume_molar": 7.886446150624961,
"formula_full": "Li1 Mn1",
"formula_reduced": "LiMn",
"formula_anonymous": "AB",
"energy": -10.31764366,
"energy_per_atom": -5.15882183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.31764366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3943331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.324000Z",
"spacegroup": 187
},
{
"id": "mp-1014264",
"created_at": "2022-09-04T14:42:24.920003Z",
"structure_string": "Cr1 N2\n1.0\n0.000000 2.358416 2.358416\n2.358416 0.000000 2.358416\n2.358416 2.358416 0.000000\nCr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.064066739090914,
"density_atomic": 0.11434838137238187,
"volume": 26.235614041884272,
"volume_molar": 5.266485356175321,
"formula_full": "Cr1 N2",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -24.93841597,
"energy_per_atom": -8.312805323333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.21641597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0829109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.353000Z",
"spacegroup": 225
},
{
"id": "mp-28",
"created_at": "2022-09-04T14:46:40.447969Z",
"structure_string": "Ce1\n1.0\n0.000000 2.360218 2.360218\n2.360218 0.000000 2.360218\n2.360218 2.360218 0.000000\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.848109284372958,
"density_atomic": 0.038028890054505424,
"volume": 26.295797709760564,
"volume_molar": 15.835699520466374,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -5.93152909,
"energy_per_atom": -5.93152909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.93152909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0453721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.837000Z",
"spacegroup": 225
},
{
"id": "mp-1097832",
"created_at": "2022-09-04T14:47:37.048322Z",
"structure_string": "C2\n1.0\n1.151662 -1.155668 0.000000\n1.151662 1.155668 0.000000\n0.000000 0.000000 9.879877\nC\n2\ndirect\n0.331215 0.331215 0.750000 C\n0.668785 0.668785 0.250000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.516728173183969,
"density_atomic": 0.07604844477614141,
"volume": 26.299025652493786,
"volume_molar": 7.918821716508422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -13.24200761,
"energy_per_atom": -6.621003805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24200761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.462000Z",
"spacegroup": 63
},
{
"id": "mp-1226002",
"created_at": "2022-09-04T14:45:53.007619Z",
"structure_string": "Co1 Mo1\n1.0\n1.347464 -2.333876 0.000000\n1.347464 2.333876 0.000000\n0.000000 0.000000 4.183618\nCo Mo\n1 1\ndirect\n0.666667 0.333333 0.500000 Co\n0.333333 0.666667 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Mo"
],
"chemical_system": "Co-Mo",
"density": 9.773461076493708,
"density_atomic": 0.07600690143360962,
"volume": 26.313399997590437,
"volume_molar": 7.923149932983665,
"formula_full": "Co1 Mo1",
"formula_reduced": "CoMo",
"formula_anonymous": "AB",
"energy": -17.54453254,
"energy_per_atom": -8.77226627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.54453254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3620178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.092000Z",
"spacegroup": 187
},
{
"id": "mp-1009538",
"created_at": "2022-09-04T14:45:20.520170Z",
"structure_string": "Pd1 C1\n1.0\n0.000000 2.361855 2.361855\n2.361855 0.000000 2.361855\n2.361855 2.361855 0.000000\nPd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"C"
],
"chemical_system": "C-Pd",
"density": 7.463176334322634,
"density_atomic": 0.07589974291720561,
"volume": 26.350550385680197,
"volume_molar": 7.9343361763019224,
"formula_full": "Pd1 C1",
"formula_reduced": "PdC",
"formula_anonymous": "AB",
"energy": -11.97635187,
"energy_per_atom": -5.988175935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.97635187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.639000Z",
"spacegroup": 216
},
{
"id": "mp-2795",
"created_at": "2022-09-04T14:41:14.165958Z",
"structure_string": "Zr1 C1\n1.0\n0.000000 2.362170 2.362170\n2.362170 0.000000 2.362170\n2.362170 2.362170 0.000000\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 6.502964049523044,
"density_atomic": 0.07586938282763615,
"volume": 26.36109489046062,
"volume_molar": 7.937511200903533,
"formula_full": "Zr1 C1",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy": -19.38444116,
"energy_per_atom": -9.69222058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.38444116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.724000Z",
"spacegroup": 225
},
{
"id": "mp-1224926",
"created_at": "2022-09-04T14:40:15.996324Z",
"structure_string": "Ga1 Fe1\n1.0\n1.374065 -2.379951 0.000000\n1.374065 2.379951 0.000000\n0.000000 0.000000 4.030782\nGa Fe\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 7.909216710551788,
"density_atomic": 0.07586394041275979,
"volume": 26.36298601309686,
"volume_molar": 7.938080631239027,
"formula_full": "Ga1 Fe1",
"formula_reduced": "GaFe",
"formula_anonymous": "AB",
"energy": -11.61551404,
"energy_per_atom": -5.80775702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61551404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0479898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.279000Z",
"spacegroup": 187
},
{
"id": "mp-1008832",
"created_at": "2022-09-04T14:44:04.299584Z",
"structure_string": "Hf1 C1\n1.0\n1.615365 -2.797895 0.000000\n1.615365 2.797895 0.000000\n0.000000 0.000000 2.916530\nHf C\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"C"
],
"chemical_system": "C-Hf",
"density": 11.99905789051877,
"density_atomic": 0.07586325470621812,
"volume": 26.36322430068467,
"volume_molar": 7.938152381308783,
"formula_full": "Hf1 C1",
"formula_reduced": "HfC",
"formula_anonymous": "AB",
"energy": -19.53673797,
"energy_per_atom": -9.768368985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.53673797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.42e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.465000Z",
"spacegroup": 187
},
{
"id": "mp-1226229",
"created_at": "2022-09-04T14:41:00.602645Z",
"structure_string": "Cr1 Ir1\n1.0\n1.342666 -2.325565 0.000000\n1.342666 2.325565 0.000000\n0.000000 0.000000 4.223046\nCr Ir\n1 1\ndirect\n0.666667 0.333333 0.000000 Cr\n0.333333 0.666667 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Ir"
],
"chemical_system": "Cr-Ir",
"density": 15.376793145521496,
"density_atomic": 0.07583640090702311,
"volume": 26.37255956347452,
"volume_molar": 7.940963294636387,
"formula_full": "Cr1 Ir1",
"formula_reduced": "CrIr",
"formula_anonymous": "AB",
"energy": -18.77682125,
"energy_per_atom": -9.388410625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.77682125,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.235000Z",
"spacegroup": 187
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
}
]
}