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_reduced&page=1721",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=1719",
"results": [
{
"id": "mp-1200622",
"created_at": "2022-09-04T14:46:54.375046Z",
"structure_string": "Ce12 As8 Cl4 O28\n1.0\n12.916963 0.000000 0.000000\n0.000000 12.916963 0.000000\n0.000000 0.000000 5.621044\nCe As Cl O\n12 8 4 28\ndirect\n0.772104 0.227896 0.500876 Ce\n0.227896 0.772104 0.500876 Ce\n0.727896 0.727896 0.000876 Ce\n0.272104 0.272104 0.000876 Ce\n0.636389 0.947087 0.528741 Ce\n0.363611 0.052913 0.528741 Ce\n0.863611 0.447087 0.028741 Ce\n0.136389 0.552913 0.028741 Ce\n0.052913 0.363611 0.528741 Ce\n0.947087 0.636389 0.528741 Ce\n0.447087 0.863611 0.028741 Ce\n0.552913 0.136389 0.028741 Ce\n0.482128 0.294343 0.497436 As\n0.517872 0.705657 0.497436 As\n0.017872 0.794343 0.997436 As\n0.982128 0.205657 0.997436 As\n0.705657 0.517872 0.497436 As\n0.294343 0.482128 0.497436 As\n0.794343 0.017872 0.997436 As\n0.205657 0.982128 0.997436 As\n0.664953 0.335047 0.962884 Cl\n0.335047 0.664953 0.962884 Cl\n0.835047 0.835047 0.462884 Cl\n0.164953 0.164953 0.462884 Cl\n0.500000 0.000000 0.771632 O\n0.000000 0.500000 0.271632 O\n0.000000 0.500000 0.771632 O\n0.500000 0.000000 0.271632 O\n0.592608 0.212227 0.459186 O\n0.407392 0.787773 0.459186 O\n0.907392 0.712227 0.959186 O\n0.092608 0.287773 0.959186 O\n0.787773 0.407392 0.459186 O\n0.212227 0.592608 0.459186 O\n0.712227 0.907392 0.959186 O\n0.287773 0.092608 0.959186 O\n0.423396 0.224965 0.745678 O\n0.576604 0.775035 0.745678 O\n0.076604 0.724965 0.245678 O\n0.923396 0.275035 0.245678 O\n0.775035 0.576604 0.745678 O\n0.224965 0.423396 0.745678 O\n0.724965 0.076604 0.245678 O\n0.275035 0.923396 0.245678 O\n0.590364 0.777040 0.268969 O\n0.409636 0.222960 0.268969 O\n0.909636 0.277040 0.768969 O\n0.090364 0.722960 0.768969 O\n0.222960 0.409636 0.268969 O\n0.777040 0.590364 0.268969 O\n0.277040 0.909636 0.768969 O\n0.722960 0.090364 0.768969 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ce",
"As",
"Cl",
"O"
],
"chemical_system": "As-Ce-Cl-O",
"density": 5.082506121028537,
"density_atomic": 0.05544540085622957,
"volume": 937.8595735079357,
"volume_molar": 10.8613891630353,
"formula_full": "Ce12 As8 Cl4 O28",
"formula_reduced": "Ce3As2ClO7",
"formula_anonymous": "AB2C3D7",
"energy": -407.6194292,
"energy_per_atom": -7.8388351769230775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -385.9274292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.409000Z",
"spacegroup": 102
},
{
"id": "mp-1226861",
"created_at": "2022-09-04T14:47:23.174531Z",
"structure_string": "Ce6 As2 S6\n1.0\n6.099941 4.293991 0.000000\n-6.099941 4.293991 0.000000\n0.000000 4.293725 6.037869\nCe As S\n6 2 6\ndirect\n0.125879 0.370102 0.249636 Ce\n0.370102 0.125879 0.749636 Ce\n0.252782 0.879983 0.376926 Ce\n0.749858 0.623719 0.123181 Ce\n0.623719 0.749858 0.623181 Ce\n0.879983 0.252782 0.876926 Ce\n0.499844 0.845865 0.000083 As\n0.845865 0.499844 0.500083 As\n0.349641 0.500259 0.501004 S\n0.149451 0.650530 0.849675 S\n0.000733 0.001353 0.649494 S\n0.500259 0.349641 0.001004 S\n0.650530 0.149451 0.349675 S\n0.001353 0.000733 0.149494 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"As",
"S"
],
"chemical_system": "As-Ce-S",
"density": 6.2102259783986575,
"density_atomic": 0.04426164897167941,
"volume": 316.3009134376767,
"volume_molar": 13.605775880273317,
"formula_full": "Ce6 As2 S6",
"formula_reduced": "Ce3AsS3",
"formula_anonymous": "AB3C3",
"energy": -98.44092031,
"energy_per_atom": -7.031494307857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.42292031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.999958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.510000Z",
"spacegroup": 9
},
{
"id": "mp-675514",
"created_at": "2022-09-04T14:45:07.805129Z",
"structure_string": "Ce12 As4 S12\n1.0\n8.628243 0.000000 0.000000\n0.000000 8.628243 0.000000\n0.000000 0.000000 8.628243\nCe As S\n12 4 12\ndirect\n0.624658 0.498454 0.250584 Ce\n0.249416 0.375342 0.998454 Ce\n0.998454 0.249416 0.375342 Ce\n0.375342 0.998454 0.249416 Ce\n0.749416 0.124658 0.001546 Ce\n0.124658 0.001546 0.749416 Ce\n0.498454 0.250584 0.624658 Ce\n0.750584 0.875342 0.501546 Ce\n0.501546 0.750584 0.875342 Ce\n0.875342 0.501546 0.750584 Ce\n0.250584 0.624658 0.498454 Ce\n0.001546 0.749416 0.124658 Ce\n0.326244 0.326244 0.326244 As\n0.826244 0.173756 0.673756 As\n0.673756 0.826244 0.173756 As\n0.173756 0.673756 0.826244 As\n0.573975 0.426025 0.926025 S\n0.175150 0.324850 0.675150 S\n0.924978 0.424978 0.075022 S\n0.073975 0.073975 0.073975 S\n0.424978 0.075022 0.924978 S\n0.075022 0.924978 0.424978 S\n0.675150 0.175150 0.324850 S\n0.426025 0.926025 0.573975 S\n0.575022 0.575022 0.575022 S\n0.926025 0.573975 0.426025 S\n0.324850 0.675150 0.175150 S\n0.824850 0.824850 0.824850 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ce",
"As",
"S"
],
"chemical_system": "As-Ce-S",
"density": 6.116045984312915,
"density_atomic": 0.043590407401263506,
"volume": 642.3431591783745,
"volume_molar": 13.815289002840204,
"formula_full": "Ce12 As4 S12",
"formula_reduced": "Ce3AsS3",
"formula_anonymous": "AB3C3",
"energy": -196.88582505,
"energy_per_atom": -7.031636608928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.84982505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0001774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.585000Z",
"spacegroup": 198
},
{
"id": "mp-1183852",
"created_at": "2022-09-04T14:46:36.291880Z",
"structure_string": "Ce6 Au2\n1.0\n6.708125 -0.015383 0.000865\n-3.367369 5.832855 0.001095\n0.000671 0.001345 5.232804\nCe Au\n6 2\ndirect\n0.179034 0.358288 0.250210 Ce\n0.641697 0.820639 0.250109 Ce\n0.178798 0.820638 0.250147 Ce\n0.820619 0.641678 0.749813 Ce\n0.359109 0.179720 0.749881 Ce\n0.820852 0.179087 0.749842 Ce\n0.333426 0.666702 0.750180 Au\n0.666465 0.333246 0.249819 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Au"
],
"chemical_system": "Au-Ce",
"density": 10.026380844691188,
"density_atomic": 0.03912447871027917,
"volume": 204.47556782138443,
"volume_molar": 15.392258142516294,
"formula_full": "Ce6 Au2",
"formula_reduced": "Ce3Au",
"formula_anonymous": "AB3",
"energy": -43.61261847,
"energy_per_atom": -5.45157730875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.61261847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9044687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.251000Z",
"spacegroup": 194
},
{
"id": "mp-680695",
"created_at": "2022-09-04T14:41:14.959263Z",
"structure_string": "Ce6 B4 Cl6 O12\n1.0\n4.611252 -7.986923 0.000000\n4.611252 7.986923 0.000000\n0.000000 0.000000 5.852965\nCe B Cl O\n6 4 6 12\ndirect\n0.336579 0.386416 0.750000 Ce\n0.049837 0.663421 0.750000 Ce\n0.663421 0.613584 0.250000 Ce\n0.386416 0.049837 0.250000 Ce\n0.613584 0.950163 0.750000 Ce\n0.950163 0.336579 0.250000 Ce\n0.666667 0.333333 0.513394 B\n0.666667 0.333333 0.986606 B\n0.333333 0.666667 0.013394 B\n0.333333 0.666667 0.486606 B\n0.036893 0.797781 0.250000 Cl\n0.239112 0.036893 0.750000 Cl\n0.760888 0.963107 0.250000 Cl\n0.963107 0.202219 0.750000 Cl\n0.797781 0.760888 0.750000 Cl\n0.202219 0.239112 0.250000 Cl\n0.170837 0.536549 0.500859 O\n0.829163 0.463451 0.000859 O\n0.365712 0.829163 0.500859 O\n0.536549 0.365712 0.000859 O\n0.634288 0.170837 0.000859 O\n0.463451 0.634288 0.999141 O\n0.463451 0.634288 0.500859 O\n0.536549 0.365712 0.499141 O\n0.365712 0.829163 0.999141 O\n0.634288 0.170837 0.499141 O\n0.170837 0.536549 0.999141 O\n0.829163 0.463451 0.499141 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ce",
"B",
"Cl",
"O"
],
"chemical_system": "B-Ce-Cl-O",
"density": 4.963409050611902,
"density_atomic": 0.06494620132560538,
"volume": 431.12606170179276,
"volume_molar": 9.272506531688004,
"formula_full": "Ce6 B4 Cl6 O12",
"formula_reduced": "Ce3B2(ClO2)3",
"formula_anonymous": "A2B3C3D6",
"energy": -223.85917317,
"energy_per_atom": -7.994970470357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.93117317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0511692,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.920000Z",
"spacegroup": 176
},
{
"id": "mp-1192206",
"created_at": "2022-09-04T14:41:20.745085Z",
"structure_string": "Ce6 Be2 Cr2 S14\n1.0\n4.967179 -8.603406 0.000000\n4.967179 8.603406 0.000000\n0.000000 0.000000 5.835770\nCe Be Cr S\n6 2 2 14\ndirect\n0.617732 0.864168 0.250185 Ce\n0.135832 0.753564 0.250185 Ce\n0.246436 0.382268 0.250185 Ce\n0.382268 0.135832 0.750185 Ce\n0.864168 0.246436 0.750185 Ce\n0.753564 0.617732 0.750185 Ce\n0.333333 0.666667 0.840029 Be\n0.666667 0.333333 0.340029 Be\n0.000000 0.000000 0.482856 Cr\n0.000000 0.000000 0.982856 Cr\n0.771224 0.919639 0.731271 S\n0.080361 0.851584 0.731271 S\n0.148416 0.228776 0.731271 S\n0.228776 0.080361 0.231271 S\n0.919639 0.148416 0.231271 S\n0.851584 0.771224 0.231271 S\n0.481758 0.590592 0.973384 S\n0.409408 0.891166 0.973384 S\n0.108834 0.518242 0.973384 S\n0.518242 0.409408 0.473384 S\n0.590592 0.108834 0.473384 S\n0.891166 0.481758 0.473384 S\n0.333333 0.666667 0.480995 S\n0.666667 0.333333 0.980995 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ce",
"Be",
"Cr",
"S"
],
"chemical_system": "Be-Ce-Cr-S",
"density": 4.699582713250622,
"density_atomic": 0.048117477309871114,
"volume": 498.7792657009575,
"volume_molar": 12.515495609252525,
"formula_full": "Ce6 Be2 Cr2 S14",
"formula_reduced": "Ce3BeCrS7",
"formula_anonymous": "ABC3D7",
"energy": -164.00746958,
"energy_per_atom": -6.833644565833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.96546958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7124824,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.754000Z",
"spacegroup": 173
},
{
"id": "mp-1105587",
"created_at": "2022-09-04T14:47:01.507602Z",
"structure_string": "Ce6 Bi8 Au6\n1.0\n-5.169889 5.169889 5.169889\n5.169889 -5.169889 5.169889\n5.169889 5.169889 -5.169889\nCe Bi Au\n6 8 6\ndirect\n0.875000 0.250000 0.125000 Ce\n0.625000 0.750000 0.375000 Ce\n0.250000 0.125000 0.875000 Ce\n0.750000 0.375000 0.625000 Ce\n0.125000 0.875000 0.250000 Ce\n0.375000 0.625000 0.750000 Ce\n0.680511 0.500000 0.000000 Bi\n0.500000 0.000000 0.680511 Bi\n0.000000 0.680511 0.500000 Bi\n0.819489 0.819489 0.819489 Bi\n0.500000 0.000000 0.180511 Bi\n0.180511 0.500000 0.000000 Bi\n0.000000 0.180511 0.500000 Bi\n0.319489 0.319489 0.319489 Bi\n0.375000 0.250000 0.625000 Au\n0.125000 0.750000 0.875000 Au\n0.250000 0.625000 0.375000 Au\n0.750000 0.875000 0.125000 Au\n0.625000 0.375000 0.250000 Au\n0.875000 0.125000 0.750000 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Ce",
"density": 11.098956502765411,
"density_atomic": 0.03618481430942753,
"volume": 552.7180498695895,
"volume_molar": 16.64272948453684,
"formula_full": "Ce6 Bi8 Au6",
"formula_reduced": "Ce3Bi4Au3",
"formula_anonymous": "A3B3C4",
"energy": -99.60455872,
"energy_per_atom": -4.980227936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.60455872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9245689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.062000Z",
"spacegroup": 220
},
{
"id": "mp-582142",
"created_at": "2022-09-04T14:39:44.392239Z",
"structure_string": "Ce6 Bi8 Pd6\n1.0\n-5.041454 5.041454 5.041454\n5.041454 -5.041454 5.041454\n5.041454 5.041454 -5.041454\nCe Bi Pd\n6 8 6\ndirect\n0.625000 0.375000 0.250000 Ce\n0.250000 0.625000 0.375000 Ce\n0.750000 0.875000 0.125000 Ce\n0.875000 0.125000 0.750000 Ce\n0.375000 0.250000 0.625000 Ce\n0.125000 0.750000 0.875000 Ce\n0.500000 0.000000 0.829846 Bi\n0.170154 0.170154 0.170154 Bi\n0.000000 0.829846 0.500000 Bi\n0.500000 0.000000 0.329846 Bi\n0.329846 0.500000 0.000000 Bi\n0.829846 0.500000 0.000000 Bi\n0.670154 0.670154 0.670154 Bi\n0.000000 0.329846 0.500000 Bi\n0.875000 0.250000 0.125000 Pd\n0.250000 0.125000 0.875000 Pd\n0.125000 0.875000 0.250000 Pd\n0.625000 0.750000 0.375000 Pd\n0.750000 0.375000 0.625000 Pd\n0.375000 0.625000 0.750000 Pd\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Bi",
"Pd"
],
"chemical_system": "Bi-Ce-Pd",
"density": 10.208883361876612,
"density_atomic": 0.03902137581476662,
"volume": 512.5395909908314,
"volume_molar": 15.432927810098072,
"formula_full": "Ce6 Bi8 Pd6",
"formula_reduced": "Ce3Bi4Pd3",
"formula_anonymous": "A3B3C4",
"energy": -113.65242763,
"energy_per_atom": -5.682621381500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.65242763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.585000Z",
"spacegroup": 220
},
{
"id": "mp-1105392",
"created_at": "2022-09-04T14:42:39.227953Z",
"structure_string": "Ce6 Bi8 Pt6\n1.0\n-5.030722 5.030722 5.030722\n5.030722 -5.030722 5.030722\n5.030722 5.030722 -5.030722\nCe Bi Pt\n6 8 6\ndirect\n0.625000 0.375000 0.250000 Ce\n0.875000 0.125000 0.750000 Ce\n0.375000 0.250000 0.625000 Ce\n0.125000 0.750000 0.875000 Ce\n0.250000 0.625000 0.375000 Ce\n0.750000 0.875000 0.125000 Ce\n0.178554 0.178554 0.178554 Bi\n0.321446 0.500000 0.000000 Bi\n0.000000 0.321446 0.500000 Bi\n0.678554 0.678554 0.678554 Bi\n0.500000 0.000000 0.321446 Bi\n0.821446 0.500000 0.000000 Bi\n0.500000 0.000000 0.821446 Bi\n0.000000 0.821446 0.500000 Bi\n0.125000 0.875000 0.250000 Pt\n0.375000 0.625000 0.750000 Pt\n0.875000 0.250000 0.125000 Pt\n0.625000 0.750000 0.375000 Pt\n0.250000 0.125000 0.875000 Pt\n0.750000 0.375000 0.625000 Pt\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Bi",
"Pt"
],
"chemical_system": "Bi-Ce-Pt",
"density": 12.00894796486293,
"density_atomic": 0.03927164093481835,
"volume": 509.2733464638077,
"volume_molar": 15.334578888606492,
"formula_full": "Ce6 Bi8 Pt6",
"formula_reduced": "Ce3Bi4Pt3",
"formula_anonymous": "A3B3C4",
"energy": -120.34076323,
"energy_per_atom": -6.0170381614999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.34076323,
"band_gap": 0.2042000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.556000Z",
"spacegroup": 220
},
{
"id": "mp-3603",
"created_at": "2022-09-04T14:39:30.327014Z",
"structure_string": "Ce3 B2 N4\n1.0\n-1.756756 3.109426 5.281900\n1.756756 -3.109426 5.281900\n1.756756 3.109426 -5.281900\nCe B N\n3 2 4\ndirect\n0.697038 0.197038 0.500000 Ce\n0.302962 0.802962 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.357336 0.500000 0.857336 B\n0.642664 0.500000 0.142664 B\n0.360436 0.622086 0.738350 N\n0.883735 0.622086 0.261650 N\n0.116265 0.377914 0.738350 N\n0.639564 0.377914 0.261650 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"B",
"N"
],
"chemical_system": "B-Ce-N",
"density": 7.165290663245058,
"density_atomic": 0.07798313177465921,
"volume": 115.40957377816633,
"volume_molar": 7.722363314930252,
"formula_full": "Ce3 B2 N4",
"formula_reduced": "Ce3(BN2)2",
"formula_anonymous": "A2B3C4",
"energy": -78.48678182,
"energy_per_atom": -8.720753535555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.04278182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1743295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.189000Z",
"spacegroup": 71
},
{
"id": "mp-984727",
"created_at": "2022-09-04T14:45:26.639912Z",
"structure_string": "Ce3 Br1\n1.0\n4.574962 0.000000 0.000000\n0.000000 4.574962 0.000000\n0.000000 0.000000 4.574962\nCe Br\n3 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Br"
],
"chemical_system": "Br-Ce",
"density": 8.675119335383796,
"density_atomic": 0.04177317813064844,
"volume": 95.75522330356885,
"volume_molar": 14.416285830983096,
"formula_full": "Ce3 Br1",
"formula_reduced": "Ce3Br",
"formula_anonymous": "AB3",
"energy": -20.86621097,
"energy_per_atom": -5.2165527425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.33221097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0911024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.578000Z",
"spacegroup": 221
},
{
"id": "mp-679986",
"created_at": "2022-09-04T14:39:43.143342Z",
"structure_string": "Ce24 Br48 N8\n1.0\n11.160133 0.000000 0.000000\n0.000000 11.828192 0.000000\n0.000000 0.000000 17.111946\nCe Br N\n24 48 8\ndirect\n0.652520 0.461791 0.328006 Ce\n0.347480 0.538209 0.671994 Ce\n0.489622 0.721409 0.050184 Ce\n0.510378 0.278591 0.949816 Ce\n0.152520 0.038209 0.671994 Ce\n0.847480 0.538209 0.828006 Ce\n0.989622 0.778591 0.949816 Ce\n0.865299 0.520460 0.058744 Ce\n0.365299 0.520460 0.441256 Ce\n0.634701 0.020460 0.058744 Ce\n0.489622 0.778591 0.550184 Ce\n0.634701 0.479540 0.558744 Ce\n0.652520 0.038209 0.828006 Ce\n0.989622 0.721409 0.449816 Ce\n0.865299 0.979540 0.558744 Ce\n0.152520 0.461791 0.171994 Ce\n0.134701 0.479540 0.941256 Ce\n0.365299 0.979540 0.941256 Ce\n0.510378 0.221409 0.449816 Ce\n0.010378 0.278591 0.550184 Ce\n0.847480 0.961791 0.328006 Ce\n0.010378 0.221409 0.050184 Ce\n0.134701 0.020460 0.441256 Ce\n0.347480 0.961791 0.171994 Ce\n0.367889 0.062499 0.338360 Br\n0.132111 0.937501 0.838360 Br\n0.835050 0.786226 0.809935 Br\n0.367889 0.437501 0.838360 Br\n0.641164 0.531435 0.945522 Br\n0.604378 0.914106 0.225320 Br\n0.755660 0.715107 0.545791 Br\n0.244340 0.284893 0.454209 Br\n0.395622 0.085894 0.774680 Br\n0.467723 0.314171 0.625079 Br\n0.604378 0.585894 0.725320 Br\n0.032277 0.814171 0.625079 Br\n0.244340 0.215107 0.954209 Br\n0.358836 0.468565 0.054478 Br\n0.744340 0.215107 0.545791 Br\n0.632111 0.937501 0.661640 Br\n0.967723 0.185829 0.374921 Br\n0.632111 0.562499 0.161640 Br\n0.858836 0.468565 0.445522 Br\n0.255660 0.784893 0.454209 Br\n0.867889 0.062499 0.161640 Br\n0.164950 0.213774 0.190065 Br\n0.132111 0.562499 0.338360 Br\n0.141164 0.531435 0.554478 Br\n0.141164 0.968565 0.054478 Br\n0.532277 0.685829 0.374921 Br\n0.744340 0.284893 0.045791 Br\n0.858836 0.031435 0.945522 Br\n0.664950 0.286226 0.809935 Br\n0.835050 0.713774 0.309935 Br\n0.104378 0.585894 0.774680 Br\n0.358836 0.031435 0.554478 Br\n0.467723 0.185829 0.125079 Br\n0.664950 0.213774 0.309935 Br\n0.395622 0.414106 0.274680 Br\n0.895622 0.085894 0.725320 Br\n0.755660 0.784893 0.045791 Br\n0.335050 0.713774 0.190065 Br\n0.532277 0.814171 0.874921 Br\n0.335050 0.786226 0.690065 Br\n0.641164 0.968565 0.445522 Br\n0.164950 0.286226 0.690065 Br\n0.032277 0.685829 0.125079 Br\n0.895622 0.414106 0.225320 Br\n0.104378 0.914106 0.274680 Br\n0.967723 0.314171 0.874921 Br\n0.255660 0.715107 0.954209 Br\n0.867889 0.437501 0.661640 Br\n0.451009 0.589519 0.559090 N\n0.548991 0.089519 0.940910 N\n0.951009 0.910481 0.440910 N\n0.451009 0.910481 0.059090 N\n0.048991 0.410481 0.059090 N\n0.951009 0.589519 0.940910 N\n0.548991 0.410481 0.440910 N\n0.048991 0.089519 0.559090 N\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Ce",
"Br",
"N"
],
"chemical_system": "Br-Ce-N",
"density": 5.373942039504934,
"density_atomic": 0.035416272461991104,
"volume": 2258.848671492923,
"volume_molar": 17.003880819086728,
"formula_full": "Ce24 Br48 N8",
"formula_reduced": "Ce3Br6N",
"formula_anonymous": "AB3C6",
"energy": -459.73333078,
"energy_per_atom": -5.74666663475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -431.21333078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.4674601,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.599000Z",
"spacegroup": 61
}
]
}