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=structure_string&page=1732",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=1730",
"results": [
{
"id": "mp-1099323",
"created_at": "2022-09-04T14:41:59.047553Z",
"structure_string": "Ce1 Mg6 Cu1\n1.0\n3.009439 -6.327773 0.000000\n3.009439 6.327773 0.000000\n0.000000 0.000000 4.979266\nCe Mg Cu\n1 6 1\ndirect\n0.306330 0.693670 0.500000 Ce\n0.311750 0.188319 0.500000 Mg\n0.811681 0.688250 0.500000 Mg\n0.167567 0.324665 0.000000 Mg\n0.675335 0.832433 0.000000 Mg\n0.703536 0.296464 0.000000 Mg\n0.150548 0.849452 0.000000 Mg\n0.873259 0.126741 0.500000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Cu"
],
"chemical_system": "Ce-Cu-Mg",
"density": 3.06023358739471,
"density_atomic": 0.04218501694605754,
"volume": 189.64079142672128,
"volume_molar": 14.275544247618962,
"formula_full": "Ce1 Mg6 Cu1",
"formula_reduced": "CeMg6Cu",
"formula_anonymous": "ABC6",
"energy": -19.07810702,
"energy_per_atom": -2.3847633775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07810702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9777962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.852000Z",
"spacegroup": 38
},
{
"id": "mp-1099304",
"created_at": "2022-09-04T14:43:58.965000Z",
"structure_string": "Ce1 Mg6 Cu1\n1.0\n3.172296 -5.932561 0.000000\n3.172296 5.932561 0.000000\n0.000000 0.000000 4.939251\nCe Mg Cu\n1 6 1\ndirect\n0.310440 0.689560 0.500000 Ce\n0.177994 0.311113 0.000000 Mg\n0.688887 0.822006 0.000000 Mg\n0.680829 0.319171 0.000000 Mg\n0.319794 0.172281 0.500000 Mg\n0.827719 0.680206 0.500000 Mg\n0.840836 0.159164 0.500000 Mg\n0.153501 0.846499 0.000000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Cu"
],
"chemical_system": "Ce-Cu-Mg",
"density": 3.121614923977072,
"density_atomic": 0.04303115259222663,
"volume": 185.9118224373372,
"volume_molar": 13.994839545822137,
"formula_full": "Ce1 Mg6 Cu1",
"formula_reduced": "CeMg6Cu",
"formula_anonymous": "ABC6",
"energy": -18.91148432,
"energy_per_atom": -2.36393554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91148432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0957528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.054000Z",
"spacegroup": 38
},
{
"id": "mp-1022318",
"created_at": "2022-09-04T14:41:05.079227Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n2.863204 -6.190668 0.000000\n2.863204 6.190668 0.000000\n0.000000 0.000000 5.023217\nCe Mg Fe\n1 6 1\ndirect\n0.314289 0.685711 0.500000 Ce\n0.315371 0.184266 0.500000 Mg\n0.815734 0.684629 0.500000 Mg\n0.167822 0.321651 0.000000 Mg\n0.678349 0.832178 0.000000 Mg\n0.709312 0.290688 0.000000 Mg\n0.154714 0.845286 0.000000 Mg\n0.844415 0.155585 0.500000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Fe"
],
"chemical_system": "Ce-Fe-Mg",
"density": 3.1871901810912298,
"density_atomic": 0.044925016530111585,
"volume": 178.07450320330756,
"volume_molar": 13.404871550717363,
"formula_full": "Ce1 Mg6 Fe1",
"formula_reduced": "CeMg6Fe",
"formula_anonymous": "ABC6",
"energy": -22.59695471,
"energy_per_atom": -2.82461933875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.59695471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1373694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.480000Z",
"spacegroup": 38
},
{
"id": "mp-1022236",
"created_at": "2022-09-04T14:42:10.118425Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.700918 -0.231689 0.000000\n-3.551107 5.687320 0.000000\n0.000000 0.000000 4.879484\nCe Mg Fe\n1 6 1\ndirect\n0.292299 0.207701 0.750000 Ce\n0.176257 0.831268 0.250000 Mg\n0.668732 0.323743 0.250000 Mg\n0.680321 0.819679 0.250000 Mg\n0.319336 0.690198 0.750000 Mg\n0.809802 0.180664 0.750000 Mg\n0.838874 0.661126 0.750000 Mg\n0.214378 0.285622 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Fe"
],
"chemical_system": "Ce-Fe-Mg",
"density": 3.119409637807914,
"density_atomic": 0.04396961636432029,
"volume": 181.943820790115,
"volume_molar": 13.696141240128588,
"formula_full": "Ce1 Mg6 Fe1",
"formula_reduced": "CeMg6Fe",
"formula_anonymous": "ABC6",
"energy": -22.58697968,
"energy_per_atom": -2.82337246,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.58697968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2456194,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.463000Z",
"spacegroup": 38
},
{
"id": "mp-1099329",
"created_at": "2022-09-04T14:43:22.465663Z",
"structure_string": "Ce1 Mg6 Ga1\n1.0\n3.212461 -5.695484 0.000000\n3.212461 5.695484 0.000000\n0.000000 0.000000 5.152233\nCe Mg Ga\n1 6 1\ndirect\n0.832494 0.167506 0.500000 Ce\n0.334792 0.169085 0.500000 Mg\n0.830915 0.665208 0.500000 Mg\n0.171980 0.337310 0.000000 Mg\n0.662690 0.828020 0.000000 Mg\n0.664636 0.335364 0.000000 Mg\n0.167494 0.832506 0.000000 Mg\n0.335003 0.664997 0.500000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ga"
],
"chemical_system": "Ce-Ga-Mg",
"density": 3.132572424734496,
"density_atomic": 0.04243224366287735,
"volume": 188.53587058840705,
"volume_molar": 14.192369387406641,
"formula_full": "Ce1 Mg6 Ga1",
"formula_reduced": "CeMg6Ga",
"formula_anonymous": "ABC6",
"energy": -18.5343121,
"energy_per_atom": -2.3167890125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.5343121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2713661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.877000Z",
"spacegroup": 38
},
{
"id": "mp-1099330",
"created_at": "2022-09-04T14:40:28.292921Z",
"structure_string": "Ce1 Mg6 Ga1\n1.0\n3.281147 -5.787738 0.000000\n3.281147 5.787738 0.000000\n0.000000 0.000000 4.967454\nCe Mg Ga\n1 6 1\ndirect\n0.179050 0.820950 0.000000 Ce\n0.181769 0.334429 0.000000 Mg\n0.665571 0.818231 0.000000 Mg\n0.662968 0.337032 0.000000 Mg\n0.337915 0.184801 0.500000 Mg\n0.815199 0.662085 0.500000 Mg\n0.829821 0.170179 0.500000 Mg\n0.327707 0.672293 0.500000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ga"
],
"chemical_system": "Ce-Ga-Mg",
"density": 3.1303774796084323,
"density_atomic": 0.042402512044964744,
"volume": 188.66806738988927,
"volume_molar": 14.202320734238489,
"formula_full": "Ce1 Mg6 Ga1",
"formula_reduced": "CeMg6Ga",
"formula_anonymous": "ABC6",
"energy": -18.63408665,
"energy_per_atom": -2.32926083125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.63408665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7796459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.401000Z",
"spacegroup": 38
},
{
"id": "mp-1023248",
"created_at": "2022-09-04T14:42:00.337640Z",
"structure_string": "Ce1 Mg6 Mn1\n1.0\n6.631559 0.551983 0.000000\n-2.837748 4.915124 0.000000\n0.000000 0.000000 5.081520\nCe Mg Mn\n1 6 1\ndirect\n0.135890 0.817945 0.250000 Ce\n0.639730 0.320261 0.250000 Mg\n0.639730 0.819469 0.250000 Mg\n0.343484 0.179024 0.750000 Mg\n0.343484 0.664461 0.750000 Mg\n0.906365 0.203183 0.750000 Mg\n0.818463 0.659232 0.750000 Mg\n0.172853 0.336426 0.250000 Mn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Mn"
],
"chemical_system": "Ce-Mg-Mn",
"density": 3.260824650526866,
"density_atomic": 0.046085219496704286,
"volume": 173.59144835085593,
"volume_molar": 13.067401708764054,
"formula_full": "Ce1 Mg6 Mn1",
"formula_reduced": "CeMg6Mn",
"formula_anonymous": "ABC6",
"energy": -22.61760864,
"energy_per_atom": -2.82720108,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.61760864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5185612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.618000Z",
"spacegroup": 38
},
{
"id": "mp-1023140",
"created_at": "2022-09-04T14:45:43.470597Z",
"structure_string": "Ce1 Mg6 Mn1\n1.0\n6.846974 -0.304932 0.000000\n-3.687566 5.777187 0.000000\n0.000000 0.000000 4.599525\nCe Mg Mn\n1 6 1\ndirect\n0.286307 0.213693 0.750000 Ce\n0.176586 0.834723 0.250000 Mg\n0.665277 0.323414 0.250000 Mg\n0.679826 0.820174 0.250000 Mg\n0.316675 0.680229 0.750000 Mg\n0.819771 0.183325 0.750000 Mg\n0.837277 0.662723 0.750000 Mg\n0.218281 0.281719 0.250000 Mn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Mn"
],
"chemical_system": "Ce-Mg-Mn",
"density": 3.202227255483287,
"density_atomic": 0.04525706278730192,
"volume": 176.7679895091339,
"volume_molar": 13.306521433577597,
"formula_full": "Ce1 Mg6 Mn1",
"formula_reduced": "CeMg6Mn",
"formula_anonymous": "ABC6",
"energy": -22.94533771,
"energy_per_atom": -2.86816721375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.94533771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7966995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.241000Z",
"spacegroup": 38
},
{
"id": "mp-1017460",
"created_at": "2022-09-04T14:47:27.225980Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.562106 0.400083 0.000000\n-2.934571 5.082825 0.000000\n0.000000 0.000000 5.185649\nCe Mg Nb\n1 6 1\ndirect\n0.148092 0.324045 0.250000 Ce\n0.652409 0.327302 0.250000 Mg\n0.652409 0.825106 0.250000 Mg\n0.338490 0.161489 0.750000 Mg\n0.338490 0.677001 0.750000 Mg\n0.826529 0.163265 0.750000 Mg\n0.878626 0.689313 0.750000 Mg\n0.164955 0.832477 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Nb"
],
"chemical_system": "Ce-Mg-Nb",
"density": 3.513526338426958,
"density_atomic": 0.044680094513407285,
"volume": 179.05065079035177,
"volume_molar": 13.478352777863796,
"formula_full": "Ce1 Mg6 Nb1",
"formula_reduced": "CeMg6Nb",
"formula_anonymous": "ABC6",
"energy": -24.15783555,
"energy_per_atom": -3.01972944375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.15783555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6727191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.612000Z",
"spacegroup": 38
},
{
"id": "mp-1017452",
"created_at": "2022-09-04T14:44:41.621683Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.644786 -0.115428 0.000000\n-3.422356 5.696838 0.000000\n0.000000 0.000000 4.885506\nCe Mg Nb\n1 6 1\ndirect\n0.199831 0.300169 0.250000 Ce\n0.185979 0.829803 0.250000 Mg\n0.670197 0.314021 0.250000 Mg\n0.666309 0.833691 0.250000 Mg\n0.328804 0.682926 0.750000 Mg\n0.817074 0.171196 0.750000 Mg\n0.827525 0.672475 0.750000 Mg\n0.304280 0.195720 0.750000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Nb"
],
"chemical_system": "Ce-Mg-Nb",
"density": 3.43756309189193,
"density_atomic": 0.04371410060648531,
"volume": 183.0073108907367,
"volume_molar": 13.776197328663716,
"formula_full": "Ce1 Mg6 Nb1",
"formula_reduced": "CeMg6Nb",
"formula_anonymous": "ABC6",
"energy": -24.40766416,
"energy_per_atom": -3.05095802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.40766416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.356000Z",
"spacegroup": 38
},
{
"id": "mp-1099328",
"created_at": "2022-09-04T14:42:24.851452Z",
"structure_string": "Ce1 Mg6 Ni1\n1.0\n3.141834 -5.834300 0.000000\n3.141834 5.834300 0.000000\n0.000000 0.000000 4.824342\nCe Mg Ni\n1 6 1\ndirect\n0.803375 0.196625 0.000000 Ce\n0.190237 0.321214 0.500000 Mg\n0.678786 0.809763 0.500000 Mg\n0.179251 0.820749 0.500000 Mg\n0.328093 0.182026 0.000000 Mg\n0.817974 0.671907 0.000000 Mg\n0.340250 0.659750 0.000000 Mg\n0.662034 0.337966 0.500000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ni"
],
"chemical_system": "Ce-Mg-Ni",
"density": 3.235742459376893,
"density_atomic": 0.045232429165580505,
"volume": 176.8642575156582,
"volume_molar": 13.313768177152271,
"formula_full": "Ce1 Mg6 Ni1",
"formula_reduced": "CeMg6Ni",
"formula_anonymous": "ABC6",
"energy": -20.57543586,
"energy_per_atom": -2.5719294825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.57543586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.040000Z",
"spacegroup": 38
},
{
"id": "mp-1022586",
"created_at": "2022-09-04T14:45:54.452253Z",
"structure_string": "Ce1 Mg6 Ni1\n1.0\n6.998634 0.714330 0.000000\n-2.880690 4.989500 0.000000\n0.000000 0.000000 4.876221\nCe Mg Ni\n1 6 1\ndirect\n0.109238 0.804618 0.250000 Ce\n0.616536 0.309160 0.250000 Mg\n0.616536 0.807375 0.250000 Mg\n0.345279 0.177032 0.750000 Mg\n0.345279 0.668247 0.750000 Mg\n0.931729 0.215865 0.750000 Mg\n0.792006 0.646004 0.750000 Mg\n0.243398 0.371698 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ni"
],
"chemical_system": "Ce-Mg-Ni",
"density": 3.173903453277565,
"density_atomic": 0.04436798197975707,
"volume": 180.3102066632196,
"volume_molar": 13.573168062382479,
"formula_full": "Ce1 Mg6 Ni1",
"formula_reduced": "CeMg6Ni",
"formula_anonymous": "ABC6",
"energy": -20.80963189,
"energy_per_atom": -2.60120398625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.80963189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7789814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.188000Z",
"spacegroup": 38
}
]
}