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=32",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=30",
"results": [
{
"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-1001833",
"created_at": "2022-09-04T14:41:14.236436Z",
"structure_string": "In1 Bi1\n1.0\n0.000000 3.429325 3.429325\n3.429325 0.000000 3.429325\n3.429325 3.429325 0.000000\nIn Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Bi"
],
"chemical_system": "Bi-In",
"density": 6.666039206900408,
"density_atomic": 0.024795568124799792,
"volume": 80.65957553114741,
"volume_molar": 24.287165874521072,
"formula_full": "In1 Bi1",
"formula_reduced": "InBi",
"formula_anonymous": "AB",
"energy": -6.59216736,
"energy_per_atom": -3.29608368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.59216736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.071000Z",
"spacegroup": 216
},
{
"id": "mp-1525",
"created_at": "2022-09-04T14:41:15.089353Z",
"structure_string": "Ce1 Te1\n1.0\n0.000000 3.170003 3.170003\n3.170003 0.000000 3.170003\n3.170003 3.170003 0.000000\nCe Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Te"
],
"chemical_system": "Ce-Te",
"density": 6.977734000905439,
"density_atomic": 0.031392144178018534,
"volume": 63.71020688037117,
"volume_molar": 19.183591684115786,
"formula_full": "Ce1 Te1",
"formula_reduced": "CeTe",
"formula_anonymous": "AB",
"energy": -12.22398709,
"energy_per_atom": -6.111993545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.80198709,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2234603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.903000Z",
"spacegroup": 225
},
{
"id": "mp-975591",
"created_at": "2022-09-04T14:41:16.230184Z",
"structure_string": "Nd1 Hf1\n1.0\n1.691339 -2.929485 0.000000\n1.691339 2.929485 0.000000\n0.000000 0.000000 5.592323\nNd Hf\n1 1\ndirect\n0.666667 0.333333 0.000000 Nd\n0.000000 0.000000 0.500000 Hf\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Hf"
],
"chemical_system": "Hf-Nd",
"density": 9.670455748788537,
"density_atomic": 0.036089910980430316,
"volume": 55.41714971490221,
"volume_molar": 16.68649380505675,
"formula_full": "Nd1 Hf1",
"formula_reduced": "NdHf",
"formula_anonymous": "AB",
"energy": -14.15077161,
"energy_per_atom": -7.075385805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.15077161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.321000Z",
"spacegroup": 187
},
{
"id": "mp-635471",
"created_at": "2022-09-04T14:41:15.494078Z",
"structure_string": "Ce1 Bi1\n1.0\n4.230054 0.000000 0.000000\n0.000000 4.230054 0.000000\n0.000000 0.000000 3.525000\nCe Bi\n1 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Bi"
],
"chemical_system": "Bi-Ce",
"density": 9.190592773143344,
"density_atomic": 0.03170874484344996,
"volume": 63.0740828712789,
"volume_molar": 18.992050267937326,
"formula_full": "Ce1 Bi1",
"formula_reduced": "CeBi",
"formula_anonymous": "AB",
"energy": -11.12770982,
"energy_per_atom": -5.56385491,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12770982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2859826,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.811000Z",
"spacegroup": 123
},
{
"id": "mp-1061023",
"created_at": "2022-09-04T14:41:17.673174Z",
"structure_string": "Rb1 B1\n1.0\n0.000000 3.336053 3.336053\n3.336053 0.000000 3.336053\n3.336053 3.336053 0.000000\nRb B\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"B"
],
"chemical_system": "B-Rb",
"density": 2.153034284287094,
"density_atomic": 0.02693401979576702,
"volume": 74.25553315715325,
"volume_molar": 22.358863644061202,
"formula_full": "Rb1 B1",
"formula_reduced": "RbB",
"formula_anonymous": "AB",
"energy": -3.315297,
"energy_per_atom": -1.6576485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.315297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0498556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.226000Z",
"spacegroup": 225
},
{
"id": "mp-22903",
"created_at": "2022-09-04T14:42:14.359237Z",
"structure_string": "Rb1 I1\n1.0\n0.000000 3.743926 3.743926\n3.743926 0.000000 3.743926\n3.743926 3.743926 0.000000\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 3.3599680093693327,
"density_atomic": 0.01905540710047656,
"volume": 104.95708590502805,
"volume_molar": 31.60331725397455,
"formula_full": "Rb1 I1",
"formula_reduced": "RbI",
"formula_anonymous": "AB",
"energy": -5.89620219,
"energy_per_atom": -2.948101095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.51720219,
"band_gap": 3.7765,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.067000Z",
"spacegroup": 225
},
{
"id": "mp-1918",
"created_at": "2022-09-04T14:39:29.465463Z",
"structure_string": "Fe1 Rh1\n1.0\n3.018914 0.000000 0.000000\n0.000000 3.018914 0.000000\n0.000000 0.000000 3.018914\nFe Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Rh"
],
"chemical_system": "Fe-Rh",
"density": 9.581025035928677,
"density_atomic": 0.07269051928829938,
"volume": 27.51390442084694,
"volume_molar": 8.284630263976329,
"formula_full": "Fe1 Rh1",
"formula_reduced": "FeRh",
"formula_anonymous": "AB",
"energy": -15.91700211,
"energy_per_atom": -7.958501055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.91700211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2563326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.939000Z",
"spacegroup": 221
},
{
"id": "mp-604325",
"created_at": "2022-09-04T14:41:17.501526Z",
"structure_string": "K2\n1.0\n3.129391 3.113852 0.000000\n-3.129391 3.113852 0.000000\n0.000000 2.991758 7.891759\nK\n2\ndirect\n0.363817 0.636183 0.750000 K\n0.636183 0.363817 0.250000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8442583443643122,
"density_atomic": 0.013003743357955325,
"volume": 153.8018665045751,
"volume_molar": 46.31082446206402,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.07371566,
"energy_per_atom": -1.03685783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07371566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.287000Z",
"spacegroup": 15
},
{
"id": "mp-1223656",
"created_at": "2022-09-04T14:41:19.630693Z",
"structure_string": "In1 Pt1\n1.0\n4.424001 -1.582443 0.000000\n4.424001 1.582443 0.000000\n3.857969 0.000000 2.681788\nIn Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pt"
],
"chemical_system": "In-Pt",
"density": 13.704896045009546,
"density_atomic": 0.05326381443987865,
"volume": 37.54894426980053,
"volume_molar": 11.306251389106711,
"formula_full": "In1 Pt1",
"formula_reduced": "InPt",
"formula_anonymous": "AB",
"energy": -9.31410798,
"energy_per_atom": -4.65705399,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.31410798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.416000Z",
"spacegroup": 166
},
{
"id": "mp-1226196",
"created_at": "2022-09-04T14:43:20.019562Z",
"structure_string": "Cr1 Ni1\n1.0\n2.893594 0.000000 0.000000\n0.000000 2.893594 0.000000\n0.000000 0.000000 2.893594\nCr Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 7.586522277912522,
"density_atomic": 0.08255002516454323,
"volume": 24.227733377591232,
"volume_molar": 7.295141034780231,
"formula_full": "Cr1 Ni1",
"formula_reduced": "CrNi",
"formula_anonymous": "AB",
"energy": -14.91969085,
"energy_per_atom": -7.459845425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.91969085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9729158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.019000Z",
"spacegroup": 221
},
{
"id": "mp-1001834",
"created_at": "2022-09-04T14:41:18.333722Z",
"structure_string": "Hf1 N1\n1.0\n2.816176 0.000000 0.000000\n0.000000 2.816176 0.000000\n0.000000 0.000000 2.816176\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": 14.311758759775891,
"density_atomic": 0.08954691254896106,
"volume": 22.3346617216587,
"volume_molar": 6.725123835740632,
"formula_full": "Hf1 N1",
"formula_reduced": "HfN",
"formula_anonymous": "AB",
"energy": -20.16805169,
"energy_per_atom": -10.084025845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.80705169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.357000Z",
"spacegroup": 221
}
]
}