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=-nsites&page=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12167",
"results": [
{
"id": "mp-2735",
"created_at": "2022-09-04T14:40:26.106022Z",
"structure_string": "Pa1 O1\n1.0\n0.000000 2.468952 2.468952\n2.468952 0.000000 2.468952\n2.468952 2.468952 0.000000\nPa O\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"O"
],
"chemical_system": "O-Pa",
"density": 13.62825159334175,
"density_atomic": 0.06644496238445,
"volume": 30.10009981536323,
"volume_molar": 9.063351898908369,
"formula_full": "Pa1 O1",
"formula_reduced": "PaO",
"formula_anonymous": "AB",
"energy": -20.01160339,
"energy_per_atom": -10.005801695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.32460339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6044813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.170000Z",
"spacegroup": 225
},
{
"id": "mp-1179990",
"created_at": "2022-09-04T14:40:13.627236Z",
"structure_string": "P2\n1.0\n5.482031 6.101249 0.000000\n-5.482031 6.101249 0.000000\n0.000000 1.435233 5.150358\nP\n2\ndirect\n0.455085 0.455085 0.879676 P\n0.544915 0.544915 0.120324 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.2985694719708449,
"density_atomic": 0.0058050016251453805,
"volume": 344.5304806352939,
"volume_molar": 103.7405525248097,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -9.07396909,
"energy_per_atom": -4.536984545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.07396909,
"band_gap": 3.0938,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.073000Z",
"spacegroup": 12
},
{
"id": "mp-984762",
"created_at": "2022-09-04T14:40:18.496383Z",
"structure_string": "Cs1 Y1\n1.0\n1.921708 -3.328495 0.000000\n1.921708 3.328495 0.000000\n0.000000 0.000000 7.510495\nCs Y\n1 1\ndirect\n0.333333 0.666667 0.500000 Cs\n0.000000 0.000000 0.000000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Y"
],
"chemical_system": "Cs-Y",
"density": 3.8335303363139213,
"density_atomic": 0.020815944997607555,
"volume": 96.08019238280397,
"volume_molar": 28.93042213885627,
"formula_full": "Cs1 Y1",
"formula_reduced": "CsY",
"formula_anonymous": "AB",
"energy": -5.9281093,
"energy_per_atom": -2.96405465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.9281093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.913000Z",
"spacegroup": 187
},
{
"id": "mp-1215193",
"created_at": "2022-09-04T14:40:20.045974Z",
"structure_string": "Zr1 U1\n1.0\n1.518245 -2.615916 0.000000\n1.518245 2.615916 0.000000\n0.000000 0.000000 5.491659\nZr U\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"U"
],
"chemical_system": "U-Zr",
"density": 12.533706129791556,
"density_atomic": 0.0458490967227374,
"volume": 43.62136100727506,
"volume_molar": 13.134698806429292,
"formula_full": "Zr1 U1",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"energy": -19.38392853,
"energy_per_atom": -9.691964265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.38392853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0249418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.957000Z",
"spacegroup": 65
},
{
"id": "mp-1218947",
"created_at": "2022-09-04T14:40:13.526220Z",
"structure_string": "Sn1 Bi1\n1.0\n1.970815 -2.753107 0.000000\n1.970815 2.753107 0.000000\n0.000000 0.000000 5.552884\nSn Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Bi"
],
"chemical_system": "Bi-Sn",
"density": 9.030156341883485,
"density_atomic": 0.033190397151959226,
"volume": 60.25839313832797,
"volume_molar": 18.14422627252146,
"formula_full": "Sn1 Bi1",
"formula_reduced": "SnBi",
"formula_anonymous": "AB",
"energy": -7.70886195,
"energy_per_atom": -3.854430975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.70886195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046838,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.295000Z",
"spacegroup": 65
},
{
"id": "mp-2828",
"created_at": "2022-09-04T14:40:14.145301Z",
"structure_string": "Hf1 N1\n1.0\n0.000000 2.268871 2.268871\n2.268871 0.000000 2.268871\n2.268871 2.268871 0.000000\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.68399724663909,
"density_atomic": 0.08561908604894641,
"volume": 23.359277613132278,
"volume_molar": 7.03364289190997,
"formula_full": "Hf1 N1",
"formula_reduced": "HfN",
"formula_anonymous": "AB",
"energy": -22.15075196,
"energy_per_atom": -11.07537598,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.78975196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000136,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.731000Z",
"spacegroup": 225
},
{
"id": "mp-1038779",
"created_at": "2022-09-04T14:40:25.794895Z",
"structure_string": "Mg1 Al1\n1.0\n5.078565 -1.494710 0.000000\n5.078565 1.494710 0.000000\n4.638646 0.000000 2.551263\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.198716849891578,
"density_atomic": 0.05163531299812335,
"volume": 38.73318246512205,
"volume_molar": 11.662833844386439,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy": -5.245756,
"energy_per_atom": -2.622878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.245756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.499000Z",
"spacegroup": 166
},
{
"id": "mp-1221583",
"created_at": "2022-09-04T14:40:16.397759Z",
"structure_string": "Mn1 Ir1\n1.0\n4.308280 -1.324597 0.000000\n4.308280 1.324597 0.000000\n3.901028 0.000000 2.257834\nMn Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 15.926079710024855,
"density_atomic": 0.07761046819974383,
"volume": 25.76971955448919,
"volume_molar": 7.75944392514292,
"formula_full": "Mn1 Ir1",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy": -18.10818441,
"energy_per_atom": -9.054092205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.10818441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3729957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.128000Z",
"spacegroup": 166
},
{
"id": "mp-1223654",
"created_at": "2022-09-04T14:40:14.119234Z",
"structure_string": "In1 Pb1\n1.0\n5.767094 -1.755808 0.000000\n5.767094 1.755808 0.000000\n5.232533 0.000000 2.993799\nIn Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pb"
],
"chemical_system": "In-Pb",
"density": 8.81947142577353,
"density_atomic": 0.03298703698126223,
"volume": 60.62987715859624,
"volume_molar": 18.25608272552877,
"formula_full": "In1 Pb1",
"formula_reduced": "InPb",
"formula_anonymous": "AB",
"energy": -6.41809862,
"energy_per_atom": -3.20904931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.41809862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.604000Z",
"spacegroup": 166
},
{
"id": "mp-2497",
"created_at": "2022-09-04T14:40:16.839039Z",
"structure_string": "Gd1 Zn1\n1.0\n3.605799 0.000000 0.000000\n0.000000 3.605799 0.000000\n0.000000 0.000000 3.605799\nGd Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Zn"
],
"chemical_system": "Gd-Zn",
"density": 7.886509119761654,
"density_atomic": 0.04266045211793925,
"volume": 46.8818285017419,
"volume_molar": 14.116448516183484,
"formula_full": "Gd1 Zn1",
"formula_reduced": "GdZn",
"formula_anonymous": "AB",
"energy": -16.06595116,
"energy_per_atom": -8.03297558,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.06595116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4944345,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.098000Z",
"spacegroup": 221
},
{
"id": "mp-23193",
"created_at": "2022-09-04T14:40:25.843887Z",
"structure_string": "K1 Cl1\n1.0\n0.000000 3.191796 3.191796\n3.191796 0.000000 3.191796\n3.191796 3.191796 0.000000\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Cl"
],
"chemical_system": "Cl-K",
"density": 1.9035704058183411,
"density_atomic": 0.030753505128334285,
"volume": 65.03323740347665,
"volume_molar": 19.581965486111663,
"formula_full": "K1 Cl1",
"formula_reduced": "KCl",
"formula_anonymous": "AB",
"energy": -7.47540409,
"energy_per_atom": -3.737702045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.86140409,
"band_gap": 5.027,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.629000Z",
"spacegroup": 225
},
{
"id": "mp-1009646",
"created_at": "2022-09-04T14:40:25.731755Z",
"structure_string": "Re1 N1\n1.0\n1.396993 -2.419663 0.000000\n1.396993 2.419663 0.000000\n0.000000 0.000000 3.030202\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.666667 0.333333 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.22901640782547,
"density_atomic": 0.09762910453984829,
"volume": 20.485694398473974,
"volume_molar": 6.168386761697691,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy": -19.81705192,
"energy_per_atom": -9.90852596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.45605192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.860000Z",
"spacegroup": 187
}
]
}