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=27",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=25",
"results": [
{
"id": "mp-2027",
"created_at": "2022-09-04T14:44:24.608873Z",
"structure_string": "Hf1 Co1\n1.0\n3.150078 0.000000 0.000000\n0.000000 3.150078 0.000000\n0.000000 0.000000 3.150078\nHf Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Co"
],
"chemical_system": "Co-Hf",
"density": 12.61270736735221,
"density_atomic": 0.0639832171049106,
"volume": 31.25819692249428,
"volume_molar": 9.41206308855297,
"formula_full": "Hf1 Co1",
"formula_reduced": "HfCo",
"formula_anonymous": "AB",
"energy": -17.86251353,
"energy_per_atom": -8.931256765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.86251353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9280355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.973000Z",
"spacegroup": 221
},
{
"id": "mp-998903",
"created_at": "2022-09-04T14:45:41.811195Z",
"structure_string": "Ti1 N1\n1.0\n2.639304 0.000000 0.000000\n0.000000 2.639304 0.000000\n0.000000 0.000000 2.639304\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 5.588392959914372,
"density_atomic": 0.10878317940717144,
"volume": 18.385195311437567,
"volume_molar": 5.535911703278454,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy": -18.24545348,
"energy_per_atom": -9.12272674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.88445348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0852661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.991000Z",
"spacegroup": 221
},
{
"id": "mp-1226001",
"created_at": "2022-09-04T14:44:30.809373Z",
"structure_string": "Co1 Pd1\n1.0\n4.363667 -1.345933 0.000000\n4.363667 1.345933 0.000000\n3.948526 0.000000 2.293963\nCo Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Pd"
],
"chemical_system": "Co-Pd",
"density": 10.189907488813713,
"density_atomic": 0.07422300760529091,
"volume": 26.945822656982067,
"volume_molar": 8.11357684671716,
"formula_full": "Co1 Pd1",
"formula_reduced": "CoPd",
"formula_anonymous": "AB",
"energy": -12.09427922,
"energy_per_atom": -6.04713961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.09427922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.108182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.247000Z",
"spacegroup": 166
},
{
"id": "mp-1216",
"created_at": "2022-09-04T14:44:59.973139Z",
"structure_string": "Yb1 O1\n1.0\n0.000000 2.374530 2.374530\n2.374530 0.000000 2.374530\n2.374530 2.374530 0.000000\nYb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 11.722991481629752,
"density_atomic": 0.07469078388426148,
"volume": 26.777065335117353,
"volume_molar": 8.062762829389664,
"formula_full": "Yb1 O1",
"formula_reduced": "YbO",
"formula_anonymous": "AB",
"energy": -13.74699528,
"energy_per_atom": -6.87349764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.05999528,
"band_gap": 3.4606000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.082000Z",
"spacegroup": 225
},
{
"id": "mp-976292",
"created_at": "2022-09-04T14:44:41.939698Z",
"structure_string": "Na1 Cu1\n1.0\n1.418297 -2.456563 0.000000\n1.418297 2.456563 0.000000\n0.000000 0.000000 4.960376\nNa Cu\n1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Cu"
],
"chemical_system": "Cu-Na",
"density": 4.157239761567835,
"density_atomic": 0.05786158309837369,
"volume": 34.565248527674896,
"volume_molar": 10.40783960190205,
"formula_full": "Na1 Cu1",
"formula_reduced": "NaCu",
"formula_anonymous": "AB",
"energy": -4.64179812,
"energy_per_atom": -2.32089906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64179812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.526000Z",
"spacegroup": 187
},
{
"id": "mp-1002114",
"created_at": "2022-09-04T14:45:54.582021Z",
"structure_string": "V1 H1\n1.0\n0.000000 1.971110 1.971110\n1.971110 0.000000 1.971110\n1.971110 1.971110 0.000000\nV H\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 5.632061498970682,
"density_atomic": 0.13057721941756856,
"volume": 15.31660736015726,
"volume_molar": 4.611938274425952,
"formula_full": "V1 H1",
"formula_reduced": "VH",
"formula_anonymous": "AB",
"energy": -12.9610617,
"energy_per_atom": -6.48053085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.7820617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.090000Z",
"spacegroup": 225
},
{
"id": "mp-645",
"created_at": "2022-09-04T14:45:55.355920Z",
"structure_string": "Tb1 P1\n1.0\n0.000000 2.849288 2.849288\n2.849288 0.000000 2.849288\n2.849288 2.849288 0.000000\nTb P\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"P"
],
"chemical_system": "P-Tb",
"density": 6.816053469135878,
"density_atomic": 0.04323056911715061,
"volume": 46.263559348020515,
"volume_molar": 13.930283322619669,
"formula_full": "Tb1 P1",
"formula_reduced": "TbP",
"formula_anonymous": "AB",
"energy": -13.26531921,
"energy_per_atom": -6.632659605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.26531921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.137000Z",
"spacegroup": 225
},
{
"id": "mp-1095001",
"created_at": "2022-09-04T14:45:56.896512Z",
"structure_string": "Ca1 Zn1\n1.0\n4.443409 -1.958990 0.000000\n4.443409 1.958990 0.000000\n3.579738 0.000000 3.281310\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.066353862233497,
"density_atomic": 0.03501097686865912,
"volume": 57.1249413434775,
"volume_molar": 17.200721883858254,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.37075162,
"energy_per_atom": -1.68537581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.37075162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.618000Z",
"spacegroup": 166
},
{
"id": "mp-2853",
"created_at": "2022-09-04T14:45:56.932821Z",
"structure_string": "Ga1 N1\n1.0\n0.000000 2.135235 2.135235\n2.135235 0.000000 2.135235\n2.135235 2.135235 0.000000\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 7.141042175319921,
"density_atomic": 0.1027218804503887,
"volume": 19.47004855470821,
"volume_molar": 5.862568650024371,
"formula_full": "Ga1 N1",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -11.72013148,
"energy_per_atom": -5.86006574,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.35913148,
"band_gap": 0.4207000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.301000Z",
"spacegroup": 225
},
{
"id": "mp-1002224",
"created_at": "2022-09-04T14:47:30.519116Z",
"structure_string": "Er1 P1\n1.0\n3.436716 0.000000 0.000000\n0.000000 3.436716 0.000000\n0.000000 0.000000 3.436716\nEr P\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"P"
],
"chemical_system": "Er-P",
"density": 8.109490980444352,
"density_atomic": 0.049271871814067905,
"volume": 40.59111063503311,
"volume_molar": 12.222269092445119,
"formula_full": "Er1 P1",
"formula_reduced": "ErP",
"formula_anonymous": "AB",
"energy": -12.09116882,
"energy_per_atom": -6.04558441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.09116882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.387000Z",
"spacegroup": 221
},
{
"id": "mp-1183294",
"created_at": "2022-09-04T14:46:01.624232Z",
"structure_string": "Ba1 Dy1\n1.0\n3.880552 -0.000146 0.000000\n-1.940403 3.360573 0.000001\n0.000000 0.000002 6.480507\nBa Dy\n1 1\ndirect\n0.666676 0.333326 0.750000 Ba\n0.333324 0.666672 0.250000 Dy\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Dy"
],
"chemical_system": "Ba-Dy",
"density": 5.891331301919601,
"density_atomic": 0.0236659316047017,
"volume": 84.50966703557366,
"volume_molar": 25.446455523447828,
"formula_full": "Ba1 Dy1",
"formula_reduced": "BaDy",
"formula_anonymous": "AB",
"energy": -5.89873556,
"energy_per_atom": -2.94936778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.89873556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4973841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.791000Z",
"spacegroup": 187
},
{
"id": "mp-11447",
"created_at": "2022-09-04T14:45:42.028539Z",
"structure_string": "U1 Te1\n1.0\n3.752686 0.000000 0.000000\n0.000000 3.752686 0.000000\n0.000000 0.000000 3.752686\nU Te\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Te"
],
"chemical_system": "Te-U",
"density": 11.488489829475931,
"density_atomic": 0.03784454730171168,
"volume": 52.84777180858341,
"volume_molar": 15.912836034182451,
"formula_full": "U1 Te1",
"formula_reduced": "UTe",
"formula_anonymous": "AB",
"energy": -15.73917756,
"energy_per_atom": -7.86958878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.31717756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6789435,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.035000Z",
"spacegroup": 221
}
]
}