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=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12157",
"results": [
{
"id": "mp-10110",
"created_at": "2022-09-04T14:48:29.680777Z",
"structure_string": "Si1 Rh1\n1.0\n2.983008 0.000000 0.000000\n0.000000 2.983008 0.000000\n0.000000 0.000000 2.983008\nSi Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 8.194591348028679,
"density_atomic": 0.07534713466659664,
"volume": 26.54380964650873,
"volume_molar": 7.9925278998960705,
"formula_full": "Si1 Rh1",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy": -13.78235336,
"energy_per_atom": -6.89117668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.85335336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:54.775000Z",
"spacegroup": 221
},
{
"id": "mp-1008374",
"created_at": "2022-09-04T14:45:54.444880Z",
"structure_string": "C4\n1.0\n1.350784 -3.910561 0.000000\n1.350784 3.910561 0.000000\n0.000000 0.000000 2.512001\nC\n4\ndirect\n0.689425 0.310575 0.500000 C\n0.585855 0.414145 0.000000 C\n0.310575 0.689425 0.500000 C\n0.414145 0.585855 0.000000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.0060945211445484,
"density_atomic": 0.1507249731527165,
"volume": 26.538402471282236,
"volume_molar": 3.995449880689837,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -35.16101595,
"energy_per_atom": -8.7902539875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.16101595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.724000Z",
"spacegroup": 65
},
{
"id": "mp-771",
"created_at": "2022-09-04T14:40:32.546460Z",
"structure_string": "Mn1 Al1\n1.0\n2.753065 0.000000 0.000000\n0.000000 2.753065 0.000000\n0.000000 0.000000 3.499926\nMn Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Al"
],
"chemical_system": "Al-Mn",
"density": 5.127964867313004,
"density_atomic": 0.07539424615426282,
"volume": 26.527223256637324,
"volume_molar": 7.987533621170778,
"formula_full": "Mn1 Al1",
"formula_reduced": "MnAl",
"formula_anonymous": "AB",
"energy": -13.45216261,
"energy_per_atom": -6.726081305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.45216261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3229716,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.651000Z",
"spacegroup": 123
},
{
"id": "mp-1002184",
"created_at": "2022-09-04T14:44:05.981806Z",
"structure_string": "Tc1 B1\n1.0\n0.000000 2.367117 2.367117\n2.367117 0.000000 2.367117\n2.367117 2.367117 0.000000\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 6.811342677502316,
"density_atomic": 0.07539470160680349,
"volume": 26.52706300809238,
"volume_molar": 7.987485369206068,
"formula_full": "Tc1 B1",
"formula_reduced": "TcB",
"formula_anonymous": "AB",
"energy": -15.59892691,
"energy_per_atom": -7.799463455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59892691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.962000Z",
"spacegroup": 216
},
{
"id": "mp-1001844",
"created_at": "2022-09-04T14:44:23.218569Z",
"structure_string": "Ho1 N1\n1.0\n2.980330 0.000000 0.000000\n0.000000 2.980330 0.000000\n0.000000 0.000000 2.980330\nHo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"N"
],
"chemical_system": "Ho-N",
"density": 11.224221655958418,
"density_atomic": 0.07555042858876367,
"volume": 26.472384569601935,
"volume_molar": 7.971021306549744,
"formula_full": "Ho1 N1",
"formula_reduced": "HoN",
"formula_anonymous": "AB",
"energy": -14.87959547,
"energy_per_atom": -7.439797735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.51859547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.091000Z",
"spacegroup": 221
},
{
"id": "mp-1018164",
"created_at": "2022-09-04T14:47:43.652877Z",
"structure_string": "Pt1 C1\n1.0\n0.000000 2.364768 2.364768\n2.364768 0.000000 2.364768\n2.364768 2.364768 0.000000\nPt C\n1 1\ndirect\n0.250000 0.250000 0.250000 Pt\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"C"
],
"chemical_system": "C-Pt",
"density": 13.00236839292123,
"density_atomic": 0.07561960079384569,
"volume": 26.448169244537592,
"volume_molar": 7.963729901745412,
"formula_full": "Pt1 C1",
"formula_reduced": "PtC",
"formula_anonymous": "AB",
"energy": -13.47734748,
"energy_per_atom": -6.73867374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.47734748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.576000Z",
"spacegroup": 216
},
{
"id": "mp-823",
"created_at": "2022-09-04T14:41:34.908136Z",
"structure_string": "Ti1 Co1\n1.0\n2.978077 0.000000 0.000000\n0.000000 2.978077 0.000000\n0.000000 0.000000 2.978077\nTi Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 6.714495321842168,
"density_atomic": 0.07572202648968708,
"volume": 26.412394024774137,
"volume_molar": 7.952957731288639,
"formula_full": "Ti1 Co1",
"formula_reduced": "TiCo",
"formula_anonymous": "AB",
"energy": -15.80484391,
"energy_per_atom": -7.902421955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.80484391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8779597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.563000Z",
"spacegroup": 221
},
{
"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
},
{
"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-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-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-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
}
]
}