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_full&page=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=120",
"results": [
{
"id": "mp-1096072",
"created_at": "2022-09-04T14:48:06.004251Z",
"structure_string": "Al1 Fe1 Ir2\n1.0\n-4.588671 5.066035 7.165452\n4.588671 -5.066035 7.165452\n4.588671 5.066035 -7.165452\nAl Fe Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.253667 0.253667 Ir\n0.000000 0.746333 0.746333 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ir"
],
"chemical_system": "Al-Fe-Ir",
"density": 1.164526869932728,
"density_atomic": 0.0060034555907269365,
"volume": 666.2829331457842,
"volume_molar": 100.31124023473956,
"formula_full": "Al1 Fe1 Ir2",
"formula_reduced": "AlFeIr2",
"formula_anonymous": "ABC2",
"energy": -18.10704513,
"energy_per_atom": -4.5267612825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.10704513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0002654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.886000Z",
"spacegroup": 71
},
{
"id": "mp-1421498",
"created_at": "2022-09-04T14:44:10.850394Z",
"structure_string": "Al1 Fe1 O3\n1.0\n3.801023 0.000000 0.000000\n0.000000 3.801023 0.000000\n0.000000 0.000000 3.801023\nAl Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 3.955828732210649,
"density_atomic": 0.09104760197112079,
"volume": 54.91632829150119,
"volume_molar": 6.61427717987581,
"formula_full": "Al1 Fe1 O3",
"formula_reduced": "AlFeO3",
"formula_anonymous": "ABC3",
"energy": -32.87211102,
"energy_per_atom": -6.574422203999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.55511102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4499198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.197000Z",
"spacegroup": 221
},
{
"id": "mp-861953",
"created_at": "2022-09-04T14:46:18.260820Z",
"structure_string": "Al1 Fe1 Rh2\n1.0\n0.000000 3.010062 3.010062\n3.010062 0.000000 3.010062\n3.010062 3.010062 0.000000\nAl Fe Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Rh"
],
"chemical_system": "Al-Fe-Rh",
"density": 8.787100445549703,
"density_atomic": 0.07333371262839071,
"volume": 54.54517242662311,
"volume_molar": 8.211967653289879,
"formula_full": "Al1 Fe1 Rh2",
"formula_reduced": "AlFeRh2",
"formula_anonymous": "ABC2",
"energy": -29.32790657,
"energy_per_atom": -7.3319766425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.32790657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2852099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.425000Z",
"spacegroup": 225
},
{
"id": "mp-1096308",
"created_at": "2022-09-04T14:43:40.868940Z",
"structure_string": "Al1 Fe1 Ru2\n1.0\n-4.664196 4.807408 6.791077\n4.664196 -4.807408 6.791077\n4.664196 4.807408 -6.791077\nAl Fe Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.255098 0.255098 Ru\n0.000000 0.744902 0.744902 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ru"
],
"chemical_system": "Al-Fe-Ru",
"density": 0.7768846572416486,
"density_atomic": 0.00656709911948989,
"volume": 609.0969432955211,
"volume_molar": 91.70168822528416,
"formula_full": "Al1 Fe1 Ru2",
"formula_reduced": "AlFeRu2",
"formula_anonymous": "ABC2",
"energy": -17.92091202,
"energy_per_atom": -4.480228005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.92091202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.3203996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.800000Z",
"spacegroup": 71
},
{
"id": "mp-1097427",
"created_at": "2022-09-04T14:45:15.234856Z",
"structure_string": "Al1 Fe1 Tc2\n1.0\n-4.711575 5.778193 8.412315\n4.711575 -5.778193 8.412315\n4.711575 5.778193 -8.412315\nAl Fe Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.256271 0.256271 Tc\n0.000000 0.743729 0.743729 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Tc"
],
"chemical_system": "Al-Fe-Tc",
"density": 0.5054166379259585,
"density_atomic": 0.004366428177705622,
"volume": 916.0805668173924,
"volume_molar": 137.9191530218731,
"formula_full": "Al1 Fe1 Tc2",
"formula_reduced": "AlFeTc2",
"formula_anonymous": "ABC2",
"energy": -18.76036694,
"energy_per_atom": -4.690091735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.76036694,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.1976014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.835000Z",
"spacegroup": 71
},
{
"id": "mp-985579",
"created_at": "2022-09-04T14:39:21.902462Z",
"structure_string": "Al1 Fe2\n1.0\n2.067461 -3.580948 0.000000\n2.067461 3.580948 0.000000\n0.000000 0.000000 2.552202\nAl Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.500000 Fe\n0.333333 0.666667 0.500000 Fe\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 6.093348966420929,
"density_atomic": 0.0793854432396159,
"volume": 37.79030358178945,
"volume_molar": 7.58595091775561,
"formula_full": "Al1 Fe2",
"formula_reduced": "AlFe2",
"formula_anonymous": "AB2",
"energy": -21.10963092,
"energy_per_atom": -7.0365436400000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.10963092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.477797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.997000Z",
"spacegroup": 191
},
{
"id": "mp-3805",
"created_at": "2022-09-04T14:44:25.336237Z",
"structure_string": "Al1 Fe2 B2\n1.0\n1.457616 -5.505861 0.000000\n1.457616 5.505861 0.000000\n0.000000 0.000000 2.863114\nAl Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.353639 0.646361 0.500000 Fe\n0.646361 0.353639 0.500000 Fe\n0.206396 0.793604 0.000000 B\n0.793604 0.206396 0.000000 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Fe",
"B"
],
"chemical_system": "Al-B-Fe",
"density": 5.791994058763091,
"density_atomic": 0.10880102785069126,
"volume": 45.9554482046029,
"volume_molar": 5.53500355554016,
"formula_full": "Al1 Fe2 B2",
"formula_reduced": "Al(FeB)2",
"formula_anonymous": "AB2C2",
"energy": -36.04867006,
"energy_per_atom": -7.209734012,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.04867006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7350455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.162000Z",
"spacegroup": 65
},
{
"id": "mp-1096207",
"created_at": "2022-09-04T14:40:00.900954Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n-4.697955 5.394012 7.644734\n4.697955 -5.394012 7.644734\n4.697955 5.394012 -7.644734\nAl Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.254994 0.254994 Fe\n0.000000 0.745006 0.745006 Fe\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ge"
],
"chemical_system": "Al-Fe-Ge",
"density": 0.45282373118628316,
"density_atomic": 0.005161986454088657,
"volume": 774.89548559968,
"volume_molar": 116.66324221424566,
"formula_full": "Al1 Fe2 Ge1",
"formula_reduced": "AlFe2Ge",
"formula_anonymous": "ABC2",
"energy": -15.93487121,
"energy_per_atom": -3.9837178025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.93487121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1173557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.422000Z",
"spacegroup": 71
},
{
"id": "mp-1183187",
"created_at": "2022-09-04T14:44:08.740102Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n0.000000 2.861905 2.861905\n2.861905 0.000000 2.861905\n2.861905 2.861905 0.000000\nAl Fe Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ge"
],
"chemical_system": "Al-Fe-Ge",
"density": 7.4847392263715085,
"density_atomic": 0.08532265391148762,
"volume": 46.88086711589559,
"volume_molar": 7.058079518069462,
"formula_full": "Al1 Fe2 Ge1",
"formula_reduced": "AlFe2Ge",
"formula_anonymous": "ABC2",
"energy": -26.15498334,
"energy_per_atom": -6.538745835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.15498334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2747269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.471000Z",
"spacegroup": 225
},
{
"id": "mp-672259",
"created_at": "2022-09-04T14:40:16.067231Z",
"structure_string": "Al1 Fe2 Mo1\n1.0\n0.000000 2.930360 2.930360\n2.930360 0.000000 2.930360\n2.930360 2.930360 0.000000\nAl Fe Mo\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Mo"
],
"chemical_system": "Al-Fe-Mo",
"density": 7.741150964994515,
"density_atomic": 0.07948168457511168,
"volume": 50.3260596624613,
"volume_molar": 7.5767653795875,
"formula_full": "Al1 Fe2 Mo1",
"formula_reduced": "AlFe2Mo",
"formula_anonymous": "ABC2",
"energy": -32.23539531,
"energy_per_atom": -8.0588488275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.23539531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.87538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.785000Z",
"spacegroup": 225
},
{
"id": "mp-31186",
"created_at": "2022-09-04T14:39:12.495264Z",
"structure_string": "Al1 Fe2 Ni1\n1.0\n0.000000 2.868191 2.868191\n2.868191 0.000000 2.868191\n2.868191 2.868191 0.000000\nAl Fe Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ni"
],
"chemical_system": "Al-Fe-Ni",
"density": 6.944882454526565,
"density_atomic": 0.08476289661970676,
"volume": 47.19045902768298,
"volume_molar": 7.104689669842991,
"formula_full": "Al1 Fe2 Ni1",
"formula_reduced": "AlFe2Ni",
"formula_anonymous": "ABC2",
"energy": -26.8431551,
"energy_per_atom": -6.710788775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.8431551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2439238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.600000Z",
"spacegroup": 225
},
{
"id": "mp-867878",
"created_at": "2022-09-04T14:48:24.783115Z",
"structure_string": "Al1 Fe2 Si1\n1.0\n0.000000 2.802675 2.802675\n2.802675 0.000000 2.802675\n2.802675 2.802675 0.000000\nAl Fe Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si",
"density": 6.289050136508479,
"density_atomic": 0.09084724818767456,
"volume": 44.029952252782586,
"volume_molar": 6.6288642530583965,
"formula_full": "Al1 Fe2 Si1",
"formula_reduced": "AlFe2Si",
"formula_anonymous": "ABC2",
"energy": -27.89002359,
"energy_per_atom": -6.9725058975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.96102359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0779392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:37.873000Z",
"spacegroup": 225
}
]
}