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=formula_anonymous&page=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=33",
"results": [
{
"id": "mp-157",
"created_at": "2022-09-04T14:39:36.446654Z",
"structure_string": "P4\n1.0\n1.653055 -5.610551 0.000000\n1.653055 5.610551 0.000000\n0.000000 0.000000 4.552418\nP\n4\ndirect\n0.405506 0.594494 0.913483 P\n0.594494 0.405506 0.086517 P\n0.094494 0.905506 0.413483 P\n0.905506 0.094494 0.586517 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.4363411481751363,
"density_atomic": 0.04736909045391714,
"volume": 84.44325110889318,
"volume_molar": 12.71322861024452,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.50360779,
"energy_per_atom": -5.3759019475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.50360779,
"band_gap": 0.0383000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.040000Z",
"spacegroup": 64
},
{
"id": "mp-7761",
"created_at": "2022-09-04T14:45:25.947961Z",
"structure_string": "Sb1\n1.0\n-1.892661 1.892661 1.892661\n1.892661 -1.892661 1.892661\n1.892661 1.892661 -1.892661\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.455473759771788,
"density_atomic": 0.036874106791514365,
"volume": 27.119300967857598,
"volume_molar": 16.33162477412427,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8904761,
"energy_per_atom": -3.8904761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8904761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.477000Z",
"spacegroup": 229
},
{
"id": "mp-1176403",
"created_at": "2022-09-04T14:41:59.911255Z",
"structure_string": "N4\n1.0\n2.174460 0.000000 0.000000\n0.000000 3.349316 0.000000\n0.000000 0.000000 7.727432\nN\n4\ndirect\n0.519546 0.856495 0.750000 N\n0.019546 0.643505 0.750000 N\n0.980454 0.356495 0.250000 N\n0.480454 0.143505 0.250000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.6531116117352054,
"density_atomic": 0.07107506280066113,
"volume": 56.27852923912988,
"volume_molar": 8.472930621095397,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -29.19879891,
"energy_per_atom": -7.2996997275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.19879891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.644000Z",
"spacegroup": 62
},
{
"id": "mp-1008669",
"created_at": "2022-09-04T14:42:04.436755Z",
"structure_string": "U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.159589588452988,
"density_atomic": 0.04594383290806428,
"volume": 21.76570687955108,
"volume_molar": 13.107615056955694,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.91983266,
"energy_per_atom": -10.91983266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91983266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0970341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.974000Z",
"spacegroup": 225
},
{
"id": "mp-1056579",
"created_at": "2022-09-04T14:41:14.434353Z",
"structure_string": "Si1\n1.0\n-1.676685 1.676685 1.287674\n1.676685 -1.676685 1.287674\n1.676685 1.676685 -1.287674\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.2207897928434908,
"density_atomic": 0.06906072349638641,
"volume": 14.480010480230849,
"volume_molar": 8.720066131822538,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.93955162,
"energy_per_atom": -4.93955162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93955162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.336000Z",
"spacegroup": 139
},
{
"id": "mp-8638",
"created_at": "2022-09-04T14:40:30.936168Z",
"structure_string": "Tc1\n1.0\n0.000000 1.942519 1.942519\n1.942519 0.000000 1.942519\n1.942519 1.942519 0.000000\nTc\n1\ndirect\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.100674069024633,
"density_atomic": 0.06821410387515324,
"volume": 14.659724942369971,
"volume_molar": 8.828292710583487,
"formula_full": "Tc1",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -10.29376611,
"energy_per_atom": -10.29376611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.29376611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58Z",
"spacegroup": 225
},
{
"id": "mp-1196985",
"created_at": "2022-09-04T14:39:35.769774Z",
"structure_string": "B48\n1.0\n7.292925 0.000000 0.000000\n0.000000 7.292925 0.000000\n0.000000 0.000000 7.292925\nB\n48\ndirect\n0.000011 0.859201 0.641296 B\n0.358704 0.000011 0.140799 B\n0.859201 0.358704 0.999989 B\n0.000011 0.140799 0.358704 B\n0.358704 0.999989 0.859201 B\n0.859201 0.641296 0.000011 B\n0.999989 0.859201 0.358704 B\n0.641296 0.000011 0.859201 B\n0.140799 0.358704 0.000011 B\n0.999989 0.140799 0.641296 B\n0.641296 0.999989 0.140799 B\n0.140799 0.641296 0.999989 B\n0.302145 0.500060 0.623780 B\n0.376220 0.302145 0.499940 B\n0.500060 0.376220 0.697855 B\n0.302145 0.499940 0.376220 B\n0.376220 0.697855 0.500060 B\n0.500060 0.623780 0.302145 B\n0.697855 0.500060 0.376220 B\n0.623780 0.302145 0.500060 B\n0.499940 0.376220 0.302145 B\n0.697855 0.499940 0.623780 B\n0.623780 0.697855 0.499940 B\n0.499940 0.623780 0.697855 B\n0.499865 0.218259 0.131228 B\n0.868772 0.499865 0.781741 B\n0.218259 0.868772 0.500135 B\n0.499865 0.781741 0.868772 B\n0.868772 0.500135 0.218259 B\n0.218259 0.131228 0.499865 B\n0.500135 0.218259 0.868772 B\n0.131228 0.499865 0.218259 B\n0.781741 0.868772 0.499865 B\n0.500135 0.781741 0.131228 B\n0.131228 0.500135 0.781741 B\n0.781741 0.131228 0.500135 B\n0.193840 0.999766 0.306496 B\n0.693504 0.193840 0.000234 B\n0.999766 0.693504 0.806160 B\n0.193840 0.000234 0.693504 B\n0.693504 0.806160 0.999766 B\n0.999766 0.306496 0.193840 B\n0.806160 0.999766 0.693504 B\n0.306496 0.193840 0.999766 B\n0.000234 0.693504 0.193840 B\n0.806160 0.000234 0.306496 B\n0.306496 0.806160 0.000234 B\n0.000234 0.306496 0.806160 B\n",
"nsites": 48,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.221523748064862,
"density_atomic": 0.12374737505459849,
"volume": 387.887015614044,
"volume_molar": 4.8664795979251885,
"formula_full": "B48",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -310.31119198,
"energy_per_atom": -6.464816499583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.31119198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7147173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.917000Z",
"spacegroup": 200
},
{
"id": "mp-1224431",
"created_at": "2022-09-04T14:40:32.413113Z",
"structure_string": "Hg34\n1.0\n6.638670 -11.486482 0.000000\n6.638670 11.486482 0.000000\n0.000000 0.000000 10.518507\nHg\n34\ndirect\n0.749358 0.250973 0.497872 Hg\n0.749042 0.498092 0.497437 Hg\n0.501632 0.251023 0.497871 Hg\n0.250973 0.749358 0.502128 Hg\n0.251023 0.501632 0.502129 Hg\n0.498092 0.749042 0.502563 Hg\n0.250973 0.749358 0.997872 Hg\n0.251023 0.501632 0.997871 Hg\n0.498092 0.749042 0.997437 Hg\n0.749358 0.250973 0.002128 Hg\n0.749042 0.498092 0.002563 Hg\n0.501632 0.251023 0.002129 Hg\n0.833028 0.666697 0.750000 Hg\n0.333321 0.166747 0.750000 Hg\n0.833250 0.166341 0.750000 Hg\n0.166747 0.333321 0.250000 Hg\n0.666697 0.833028 0.250000 Hg\n0.166341 0.833250 0.250000 Hg\n0.750126 0.750126 0.500000 Hg\n0.250161 0.000054 0.499821 Hg\n0.000054 0.250161 0.500179 Hg\n0.250014 0.250014 0.500000 Hg\n0.000483 0.750142 0.500118 Hg\n0.750142 0.000483 0.499882 Hg\n0.250014 0.250014 0.000000 Hg\n0.750142 0.000483 0.000118 Hg\n0.000483 0.750142 0.999882 Hg\n0.750126 0.750126 0.000000 Hg\n0.000054 0.250161 0.999821 Hg\n0.250161 0.000054 0.000179 Hg\n0.499528 0.500481 0.750000 Hg\n0.499451 0.998958 0.750000 Hg\n0.500481 0.499528 0.250000 Hg\n0.998958 0.499451 0.250000 Hg\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 7.059681036103451,
"density_atomic": 0.021194672184460684,
"volume": 1604.1767338552095,
"volume_molar": 28.41346498586214,
"formula_full": "Hg34",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -8.94396295,
"energy_per_atom": -0.26305773382352937,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.94396295,
"band_gap": 0.7993000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.851000Z",
"spacegroup": 40
},
{
"id": "mp-1246134",
"created_at": "2022-09-04T14:47:14.470580Z",
"structure_string": "Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.369294959089133,
"density_atomic": 0.0858717885196815,
"volume": 11.645268105377864,
"volume_molar": 7.012944371852401,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.37022588,
"energy_per_atom": -5.37022588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37022588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4577781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.220000Z",
"spacegroup": 191
},
{
"id": "mp-19981",
"created_at": "2022-09-04T14:47:07.532389Z",
"structure_string": "Gd4\n1.0\n1.806374 -3.128731 0.000000\n1.806374 3.128731 0.000000\n0.000000 0.000000 11.644222\nGd\n4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 7.935665832686046,
"density_atomic": 0.03039090409238351,
"volume": 131.61832855780258,
"volume_molar": 19.81560252927537,
"formula_full": "Gd4",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -56.18320903,
"energy_per_atom": -14.0458022575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.18320903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.7454656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.674000Z",
"spacegroup": 194
},
{
"id": "mp-634659",
"created_at": "2022-09-04T14:39:44.232237Z",
"structure_string": "H1\n1.0\n0.000000 2.714276 2.714276\n2.714276 0.000000 2.714276\n2.714276 2.714276 0.000000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.04184964346674343,
"density_atomic": 0.025003913308295884,
"volume": 39.99373968666803,
"volume_molar": 24.084792991191318,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.11598378,
"energy_per_atom": -1.11598378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11598378,
"band_gap": 7.5516,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.544000Z",
"spacegroup": 225
},
{
"id": "mp-22848",
"created_at": "2022-09-04T14:46:16.615476Z",
"structure_string": "Cl4\n1.0\n2.331638 -3.740204 0.000000\n2.331638 3.740204 0.000000\n0.000000 0.000000 8.260659\nCl\n4\ndirect\n0.388552 0.388552 0.604044 Cl\n0.611448 0.611448 0.395956 Cl\n0.111448 0.111448 0.104044 Cl\n0.888552 0.888552 0.895956 Cl\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 1.6344098612381623,
"density_atomic": 0.027762520089441484,
"volume": 144.07913932572936,
"volume_molar": 21.69162143997984,
"formula_full": "Cl4",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"energy": -7.39263836,
"energy_per_atom": -1.84815959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.39263836,
"band_gap": 2.563,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045596,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.118000Z",
"spacegroup": 64
}
]
}