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=119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=117",
"results": [
{
"id": "mp-1228938",
"created_at": "2022-09-04T14:42:06.588169Z",
"structure_string": "Al1 Cu1 Ni6\n1.0\n3.542761 0.000000 0.000000\n0.000000 3.542761 0.000000\n0.000000 0.000000 7.091288\nAl Cu Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.250600 Ni\n0.500000 0.000000 0.749400 Ni\n0.000000 0.500000 0.250600 Ni\n0.000000 0.500000 0.749400 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Cu-Ni",
"density": 8.2591994271699,
"density_atomic": 0.08988374373119534,
"volume": 89.00385840541591,
"volume_molar": 6.699922043756548,
"formula_full": "Al1 Cu1 Ni6",
"formula_reduced": "AlCuNi6",
"formula_anonymous": "ABC6",
"energy": -44.03685615,
"energy_per_atom": -5.50460701875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.03685615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0942108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.357000Z",
"spacegroup": 123
},
{
"id": "mp-3748",
"created_at": "2022-09-04T14:47:44.611499Z",
"structure_string": "Al1 Cu1 O2\n1.0\n5.754577 -1.439372 0.000000\n5.754577 1.439372 0.000000\n5.394552 0.000000 2.466933\nAl Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.889957 0.889957 0.889957 O\n0.110043 0.110043 0.110043 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.978571485833173,
"density_atomic": 0.09787824764648843,
"volume": 40.86709862692875,
"volume_molar": 6.152685509604192,
"formula_full": "Al1 Cu1 O2",
"formula_reduced": "AlCuO2",
"formula_anonymous": "ABC2",
"energy": -27.40972221,
"energy_per_atom": -6.8524305525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.03572221,
"band_gap": 1.7978000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.461000Z",
"spacegroup": 166
},
{
"id": "mp-1504314",
"created_at": "2022-09-04T14:47:20.611607Z",
"structure_string": "Al1 Cu1 O3\n1.0\n3.699148 0.000000 0.000000\n0.000000 3.699148 0.000000\n0.000000 0.000000 3.699148\nAl Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cu\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",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.544378009211107,
"density_atomic": 0.09877905840516224,
"volume": 50.618016416915935,
"volume_molar": 6.0965763970931715,
"formula_full": "Al1 Cu1 O3",
"formula_reduced": "AlCuO3",
"formula_anonymous": "ABC3",
"energy": -26.93365928,
"energy_per_atom": -5.386731856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.87265928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.396000Z",
"spacegroup": 221
},
{
"id": "mp-1228984",
"created_at": "2022-09-04T14:46:37.220588Z",
"structure_string": "Al1 Cu1 P2 Se6\n1.0\n7.156233 -3.142935 0.000000\n7.156233 3.142935 0.000000\n5.775892 0.000000 5.265813\nAl Cu P Se\n1 1 2 6\ndirect\n0.167241 0.167241 0.167241 Al\n0.832795 0.832795 0.832795 Cu\n0.553300 0.553300 0.553300 P\n0.446099 0.446099 0.446099 P\n0.930782 0.244751 0.564805 Se\n0.564805 0.930782 0.244751 Se\n0.244751 0.564805 0.930782 Se\n0.084806 0.772709 0.402712 Se\n0.402712 0.084806 0.772709 Se\n0.772709 0.402712 0.084806 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Al",
"Cu",
"P",
"Se"
],
"chemical_system": "Al-Cu-P-Se",
"density": 4.390067296366625,
"density_atomic": 0.04221674063404435,
"volume": 236.87285777660955,
"volume_molar": 14.264816917542033,
"formula_full": "Al1 Cu1 P2 Se6",
"formula_reduced": "AlCu(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy": -45.23998835,
"energy_per_atom": -4.5239988349999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.40798835,
"band_gap": 0.8799000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.891000Z",
"spacegroup": 146
},
{
"id": "mp-1228912",
"created_at": "2022-09-04T14:39:05.719877Z",
"structure_string": "Al1 Cu1 Pd2\n1.0\n3.107711 0.000000 0.000000\n0.000000 3.107711 0.000000\n0.000000 0.000000 5.785956\nAl Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.245002 Pd\n0.500000 0.500000 0.754998 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Pd"
],
"chemical_system": "Al-Cu-Pd",
"density": 9.014918994937128,
"density_atomic": 0.0715819647636753,
"volume": 55.87999733181149,
"volume_molar": 8.41293024001483,
"formula_full": "Al1 Cu1 Pd2",
"formula_reduced": "AlCuPd2",
"formula_anonymous": "ABC2",
"energy": -20.6158417,
"energy_per_atom": -5.153960425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.6158417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.435000Z",
"spacegroup": 123
},
{
"id": "mp-866296",
"created_at": "2022-09-04T14:41:59.232934Z",
"structure_string": "Al1 Cu1 Pd2\n1.0\n0.000000 3.030100 3.030100\n3.030100 0.000000 3.030100\n3.030100 3.030100 0.000000\nAl Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cu\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Pd"
],
"chemical_system": "Al-Cu-Pd",
"density": 9.053517083961804,
"density_atomic": 0.07188844861007052,
"volume": 55.641762721801996,
"volume_molar": 8.377063181130307,
"formula_full": "Al1 Cu1 Pd2",
"formula_reduced": "AlCuPd2",
"formula_anonymous": "ABC2",
"energy": -20.69672508,
"energy_per_atom": -5.17418127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.69672508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.015000Z",
"spacegroup": 225
},
{
"id": "mp-12550",
"created_at": "2022-09-04T14:40:33.804704Z",
"structure_string": "Al1 Cu1 Pt2\n1.0\n4.001131 0.000000 0.000000\n0.000000 4.001131 0.000000\n0.000000 0.000000 3.528631\nAl Cu Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Pt"
],
"chemical_system": "Al-Cu-Pt",
"density": 14.130170498487681,
"density_atomic": 0.07080895818748821,
"volume": 56.49002756697516,
"volume_molar": 8.504772438615117,
"formula_full": "Al1 Cu1 Pt2",
"formula_reduced": "AlCuPt2",
"formula_anonymous": "ABC2",
"energy": -22.77752778,
"energy_per_atom": -5.694381945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.77752778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.18e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.142000Z",
"spacegroup": 123
},
{
"id": "mp-1183191",
"created_at": "2022-09-04T14:45:57.386942Z",
"structure_string": "Al1 Cu1 Rh2\n1.0\n0.000000 2.991537 2.991537\n2.991537 0.000000 2.991537\n2.991537 2.991537 0.000000\nAl Cu Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Rh"
],
"chemical_system": "Al-Cu-Rh",
"density": 9.190181756705634,
"density_atomic": 0.07470451657007843,
"volume": 53.544285990361786,
"volume_molar": 8.061280678191366,
"formula_full": "Al1 Cu1 Rh2",
"formula_reduced": "AlCuRh2",
"formula_anonymous": "ABC2",
"energy": -24.70848451,
"energy_per_atom": -6.1771211275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.70848451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.524000Z",
"spacegroup": 225
},
{
"id": "mp-1097150",
"created_at": "2022-09-04T14:42:10.929022Z",
"structure_string": "Al1 Cu1 Rh2\n1.0\n-4.677566 4.988544 7.155652\n4.677566 -4.988544 7.155652\n4.677566 4.988544 -7.155652\nAl Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.000000 0.241125 0.241125 Rh\n0.000000 0.758875 0.758875 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Rh"
],
"chemical_system": "Al-Cu-Rh",
"density": 0.736774011332873,
"density_atomic": 0.005989037844421245,
"volume": 667.8869133755729,
"volume_molar": 100.55272510274067,
"formula_full": "Al1 Cu1 Rh2",
"formula_reduced": "AlCuRh2",
"formula_anonymous": "ABC2",
"energy": -12.93465253,
"energy_per_atom": -3.2336631325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.93465253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4354535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.121000Z",
"spacegroup": 71
},
{
"id": "mp-1096827",
"created_at": "2022-09-04T14:43:12.071383Z",
"structure_string": "Al1 Cu1 S2\n1.0\n6.100884 -1.805771 0.000000\n6.100884 1.805771 0.000000\n5.566402 0.000000 3.081681\nAl Cu S\n1 1 2\ndirect\n0.002057 0.002057 0.002057 Al\n0.858641 0.858641 0.858641 Cu\n0.733581 0.733581 0.733581 S\n0.252721 0.252721 0.252721 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"S"
],
"chemical_system": "Al-Cu-S",
"density": 3.782222495864674,
"density_atomic": 0.05890970843009874,
"volume": 67.90052279322231,
"volume_molar": 10.222662648459329,
"formula_full": "Al1 Cu1 S2",
"formula_reduced": "AlCuS2",
"formula_anonymous": "ABC2",
"energy": -19.94348709,
"energy_per_atom": -4.9858717725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.93748709,
"band_gap": 1.2542999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.146000Z",
"spacegroup": 160
},
{
"id": "mp-1067509",
"created_at": "2022-09-04T14:47:02.943600Z",
"structure_string": "Al1 Cu1 S2\n1.0\n0.000000 3.099379 3.099379\n3.099379 0.000000 3.099379\n3.099379 3.099379 0.000000\nAl Cu S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 S\n0.250000 0.250000 0.250000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"S"
],
"chemical_system": "Al-Cu-S",
"density": 4.312867713505974,
"density_atomic": 0.0671747312005079,
"volume": 59.546200312443624,
"volume_molar": 8.964890000117288,
"formula_full": "Al1 Cu1 S2",
"formula_reduced": "AlCuS2",
"formula_anonymous": "ABC2",
"energy": -16.79308778,
"energy_per_atom": -4.198271945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78708778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.186000Z",
"spacegroup": 225
},
{
"id": "mp-1067556",
"created_at": "2022-09-04T14:40:29.385980Z",
"structure_string": "Al1 Cu1 Se2\n1.0\n0.000000 3.233835 3.233835\n3.233835 0.000000 3.233835\n3.233835 3.233835 0.000000\nAl Cu Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 Se\n0.250000 0.250000 0.250000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Se",
"density": 6.099584173933645,
"density_atomic": 0.05913933330566025,
"volume": 67.63688016782493,
"volume_molar": 10.182970323447352,
"formula_full": "Al1 Cu1 Se2",
"formula_reduced": "AlCuSe2",
"formula_anonymous": "ABC2",
"energy": -15.16186441,
"energy_per_atom": -3.7904661025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21786441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.847000Z",
"spacegroup": 225
}
]
}