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_anonymous&page=30",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=28",
"results": [
{
"id": "mp-1516960",
"created_at": "2022-09-04T14:43:53.407533Z",
"structure_string": "Sm1 Eu1 Fe1 Sn1 O6\n1.0\n-0.000000 -4.014981 -4.014981\n4.014981 -0.000000 -4.014981\n4.014981 -4.014981 0.000000\nSm Eu Fe Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Sn\n0.753419 0.246581 0.246581 O\n0.246581 0.753419 0.753419 O\n0.753419 0.246581 0.753419 O\n0.246581 0.753419 0.246581 O\n0.753419 0.753419 0.246581 O\n0.246581 0.246581 0.753419 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sm",
"Eu",
"Fe",
"Sn",
"O"
],
"chemical_system": "Eu-Fe-O-Sm-Sn",
"density": 7.349009216551056,
"density_atomic": 0.0772537413264769,
"volume": 129.44356905304645,
"volume_molar": 7.795273933142257,
"formula_full": "Sm1 Eu1 Fe1 Sn1 O6",
"formula_reduced": "SmEuFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -82.55084292,
"energy_per_atom": -8.255084292,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.17284292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.8601202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.035000Z",
"spacegroup": 216
},
{
"id": "mp-1516254",
"created_at": "2022-09-04T14:43:18.933709Z",
"structure_string": "Ba4 Na4 Bi4 W4 O24\n1.0\n8.501769 0.000000 0.000000\n0.000000 8.501658 0.000000\n0.000000 0.000000 8.432387\nBa Na Bi W O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024975 0.221896 0.299329 O\n0.975025 0.778104 0.299329 O\n0.975025 0.221896 0.700671 O\n0.024975 0.778104 0.700671 O\n0.268443 0.023046 0.214798 O\n0.268443 0.976954 0.785202 O\n0.731557 0.976954 0.214798 O\n0.731557 0.023046 0.785202 O\n0.196998 0.273743 0.025422 O\n0.803002 0.273743 0.974578 O\n0.196998 0.726257 0.974578 O\n0.803002 0.726257 0.025422 O\n0.475025 0.278104 0.200671 O\n0.524975 0.721896 0.200671 O\n0.524975 0.278104 0.799329 O\n0.475025 0.721896 0.799329 O\n0.231557 0.476954 0.285202 O\n0.231557 0.523046 0.714798 O\n0.768443 0.523046 0.285202 O\n0.768443 0.476954 0.714798 O\n0.303002 0.226257 0.474578 O\n0.696998 0.226257 0.525422 O\n0.303002 0.773743 0.525422 O\n0.696998 0.773743 0.474578 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Bi",
"W",
"O"
],
"chemical_system": "Ba-Bi-Na-O-W",
"density": 7.074238483712734,
"density_atomic": 0.0656291123269166,
"volume": 609.4856166993245,
"volume_molar": 9.176020437396847,
"formula_full": "Ba4 Na4 Bi4 W4 O24",
"formula_reduced": "BaNaBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -290.86589816000003,
"energy_per_atom": -7.271647454000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.62589816,
"band_gap": 2.4275,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.904000Z",
"spacegroup": 48
},
{
"id": "mp-1519567",
"created_at": "2022-09-04T14:45:13.091935Z",
"structure_string": "Sr1 Ca1 Zr1 Fe1 O6\n1.0\n0.000000 -4.022316 -4.022316\n4.022316 0.000000 -4.022316\n4.022316 -4.022316 0.000000\nSr Ca Zr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.757728 0.242272 0.242272 O\n0.242272 0.757728 0.757728 O\n0.757728 0.242272 0.757728 O\n0.242272 0.757728 0.242272 O\n0.757728 0.757728 0.242272 O\n0.242272 0.242272 0.757728 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Zr",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Sr-Zr",
"density": 4.730285986336854,
"density_atomic": 0.07683187729592586,
"volume": 130.1543103194521,
"volume_molar": 7.8380757726446095,
"formula_full": "Sr1 Ca1 Zr1 Fe1 O6",
"formula_reduced": "SrCaZrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -78.83042905,
"energy_per_atom": -7.883042905000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.45242905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.135000Z",
"spacegroup": 216
},
{
"id": "mp-1517421",
"created_at": "2022-09-04T14:46:56.774690Z",
"structure_string": "Sr1 Ce1 Cr1 Sn1 O6\n1.0\n0.000000 -4.013707 -4.013707\n4.013707 0.000000 -4.013707\n4.013707 -4.013707 0.000000\nSr Ce Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753438 0.246562 0.246562 O\n0.246562 0.753438 0.753438 O\n0.753438 0.246562 0.753438 O\n0.246562 0.753438 0.246562 O\n0.753438 0.753438 0.246562 O\n0.246562 0.246562 0.753438 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ce-Cr-O-Sn-Sr",
"density": 6.3488400296099945,
"density_atomic": 0.07732732854388702,
"volume": 129.32038631496903,
"volume_molar": 7.787855695263212,
"formula_full": "Sr1 Ce1 Cr1 Sn1 O6",
"formula_reduced": "SrCeCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.25734682999999,
"energy_per_atom": -7.8257346829999985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.13634683,
"band_gap": 0.1276999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.453000Z",
"spacegroup": 216
},
{
"id": "mp-1518922",
"created_at": "2022-09-04T14:44:17.653618Z",
"structure_string": "K1 Pr1 Hf1 W1 O6\n1.0\n0.000000 -4.096154 -4.096154\n4.096154 0.000000 -4.096154\n4.096154 -4.096154 -0.000000\nK Pr Hf W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 W\n0.749040 0.250960 0.250960 O\n0.250960 0.749040 0.749040 O\n0.749040 0.250960 0.749040 O\n0.250960 0.749040 0.250960 O\n0.749040 0.749040 0.250960 O\n0.250960 0.250960 0.749040 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Hf",
"W",
"O"
],
"chemical_system": "Hf-K-O-Pr-W",
"density": 7.7114691944836435,
"density_atomic": 0.07275136999030808,
"volume": 137.45445620243575,
"volume_molar": 8.277700833403232,
"formula_full": "K1 Pr1 Hf1 W1 O6",
"formula_reduced": "KPrHfWO6",
"formula_anonymous": "ABCDE6",
"energy": -87.57867340000001,
"energy_per_atom": -8.75786734,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.0186734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.382000Z",
"spacegroup": 216
},
{
"id": "mp-1516963",
"created_at": "2022-09-04T14:45:13.428087Z",
"structure_string": "Ba1 Na1 Y1 W1 O6\n1.0\n0.000000 -4.206783 -4.206783\n4.206783 -0.000000 -4.206783\n4.206783 -4.206783 0.000000\nBa Na Y W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 W\n0.767546 0.232454 0.232454 O\n0.232454 0.767546 0.767546 O\n0.767546 0.232454 0.767546 O\n0.232454 0.767546 0.232454 O\n0.767546 0.767546 0.232454 O\n0.232454 0.232454 0.767546 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Y",
"W",
"O"
],
"chemical_system": "Ba-Na-O-W-Y",
"density": 5.9002836943415495,
"density_atomic": 0.06716138965345123,
"volume": 148.89507277320206,
"volume_molar": 8.966670867106664,
"formula_full": "Ba1 Na1 Y1 W1 O6",
"formula_reduced": "BaNaYWO6",
"formula_anonymous": "ABCDE6",
"energy": -81.54636978,
"energy_per_atom": -8.154636978000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.98636978,
"band_gap": 2.8552,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.624000Z",
"spacegroup": 216
},
{
"id": "mp-1519458",
"created_at": "2022-09-04T14:45:13.360262Z",
"structure_string": "Ba1 Sr1 Pr1 Sb1 O6\n1.0\n0.000000 -4.328788 -4.328788\n4.328788 0.000000 -4.328788\n4.328788 -4.328788 0.000000\nBa Sr Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731791 0.268209 0.268209 O\n0.268209 0.731791 0.731791 O\n0.731791 0.268209 0.731791 O\n0.268209 0.731791 0.268209 O\n0.731791 0.731791 0.268209 O\n0.268209 0.268209 0.731791 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb-Sr",
"density": 5.973703417676336,
"density_atomic": 0.06164119553968688,
"volume": 162.22917015880444,
"volume_molar": 9.769668980743122,
"formula_full": "Ba1 Sr1 Pr1 Sb1 O6",
"formula_reduced": "BaSrPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.74125291,
"energy_per_atom": -7.174125291,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.61925291,
"band_gap": 3.4907,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.086000Z",
"spacegroup": 216
},
{
"id": "mp-1520445",
"created_at": "2022-09-04T14:47:20.392043Z",
"structure_string": "Sr1 Pr1 Eu1 Ni1 O6\n1.0\n-0.000000 -4.053163 -4.053163\n4.053163 -0.000000 -4.053163\n4.053163 -4.053163 0.000000\nSr Pr Eu Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ni\n0.731176 0.268824 0.268824 O\n0.268824 0.731176 0.731176 O\n0.731176 0.268824 0.731176 O\n0.268824 0.731176 0.268824 O\n0.731176 0.731176 0.268824 O\n0.268824 0.268824 0.731176 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Ni",
"O"
],
"chemical_system": "Eu-Ni-O-Pr-Sr",
"density": 6.6732584534830774,
"density_atomic": 0.07509098409263414,
"volume": 133.17177981931556,
"volume_molar": 8.019792033316456,
"formula_full": "Sr1 Pr1 Eu1 Ni1 O6",
"formula_reduced": "SrPrEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -76.60849813,
"energy_per_atom": -7.6608498130000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.94549813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.636000Z",
"spacegroup": 216
},
{
"id": "mp-1520661",
"created_at": "2022-09-04T14:46:17.208216Z",
"structure_string": "Sr4 Ca4 Tb4 Bi4 O24\n1.0\n8.489481 0.000000 0.000000\n0.000000 8.480238 0.000000\n0.000000 0.000000 8.490849\nSr Ca Tb Bi O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n-0.000000 -0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.247792 0.249686 0.250016 Tb\n0.752208 0.750314 0.250016 Tb\n0.752208 0.249686 0.749984 Tb\n0.247792 0.750314 0.749984 Tb\n0.752543 0.750260 0.749809 Bi\n0.247457 0.249740 0.749809 Bi\n0.247457 0.750260 0.250191 Bi\n0.752543 0.249740 0.250191 Bi\n0.992912 0.193883 0.296130 O\n0.007088 0.806117 0.296130 O\n0.007088 0.193883 0.703870 O\n0.992912 0.806117 0.703870 O\n0.285049 0.992776 0.199723 O\n0.285049 0.007224 0.800277 O\n0.714951 0.007224 0.199723 O\n0.714951 0.992776 0.800277 O\n0.192083 0.293640 0.992015 O\n0.807917 0.293640 0.007985 O\n0.192083 0.706360 0.007985 O\n0.807917 0.706360 0.992015 O\n0.507583 0.294782 0.213178 O\n0.492416 0.705218 0.213178 O\n0.492416 0.294782 0.786822 O\n0.507583 0.705218 0.786822 O\n0.213172 0.506830 0.297102 O\n0.213172 0.493170 0.702898 O\n0.786828 0.493170 0.297102 O\n0.786828 0.506830 0.702898 O\n0.297814 0.215697 0.506766 O\n0.702186 0.215697 0.493234 O\n0.297814 0.784303 0.493234 O\n0.702186 0.784303 0.506766 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Sr-Tb",
"density": 6.428313743647475,
"density_atomic": 0.0654364442386733,
"volume": 611.2801584099489,
"volume_molar": 9.203037894349524,
"formula_full": "Sr4 Ca4 Tb4 Bi4 O24",
"formula_reduced": "SrCaTbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -278.72924886,
"energy_per_atom": -6.9682312215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.24124886,
"band_gap": 2.0115,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.205000Z",
"spacegroup": 16
},
{
"id": "mp-1522466",
"created_at": "2022-09-04T14:47:20.872225Z",
"structure_string": "Sr1 Ca1 Nb1 In1 O6\n1.0\n-0.000000 -4.121182 -4.121182\n4.121182 -0.000000 -4.121182\n4.121182 -4.121182 -0.000000\nSr Ca Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Nb\n-0.000000 0.000000 0.000000 In\n0.741972 0.258028 0.258028 O\n0.258028 0.741972 0.741972 O\n0.741972 0.258028 0.741972 O\n0.258028 0.741972 0.258028 O\n0.741972 0.741972 0.258028 O\n0.258028 0.258028 0.741972 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nb",
"In",
"O"
],
"chemical_system": "Ca-In-Nb-O-Sr",
"density": 5.117440068737389,
"density_atomic": 0.07143394275847392,
"volume": 139.9894729850081,
"volume_molar": 8.43036311233936,
"formula_full": "Sr1 Ca1 Nb1 In1 O6",
"formula_reduced": "SrCaNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -74.96489656,
"energy_per_atom": -7.496489656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.84289656,
"band_gap": 3.4575,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.764000Z",
"spacegroup": 216
},
{
"id": "mp-1522283",
"created_at": "2022-09-04T14:46:16.803834Z",
"structure_string": "Ba4 Sr4 Ce4 Ti4 O24\n1.0\n8.383347 0.000000 0.000000\n0.000000 8.398326 0.000000\n0.000000 0.000000 8.427529\nBa Sr Ce Ti O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.749404 0.746761 0.749817 Ce\n0.250596 0.253239 0.749817 Ce\n0.250596 0.746761 0.250183 Ce\n0.749404 0.253239 0.250183 Ce\n0.250005 0.254108 0.250925 Ti\n0.749995 0.745892 0.250925 Ti\n0.749995 0.254108 0.749075 Ti\n0.250005 0.745892 0.749075 Ti\n0.014849 0.235971 0.269351 O\n0.985151 0.764029 0.269351 O\n0.985151 0.235971 0.730649 O\n0.014849 0.764029 0.730649 O\n0.266846 0.016450 0.233580 O\n0.266846 0.983550 0.766420 O\n0.733154 0.983550 0.233580 O\n0.733154 0.016450 0.766420 O\n0.227265 0.276369 0.014759 O\n0.772735 0.276369 0.985241 O\n0.227265 0.723631 0.985241 O\n0.772735 0.723631 0.014759 O\n0.484266 0.278842 0.223427 O\n0.515734 0.721158 0.223427 O\n0.515734 0.278842 0.776573 O\n0.484266 0.721158 0.776573 O\n0.223928 0.486003 0.278387 O\n0.223928 0.513996 0.721613 O\n0.776072 0.513996 0.278387 O\n0.776072 0.486003 0.721613 O\n0.278725 0.227957 0.484956 O\n0.721275 0.227957 0.515044 O\n0.278725 0.772043 0.515044 O\n0.721275 0.772043 0.484956 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"Ti",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Ti",
"density": 5.697097365010593,
"density_atomic": 0.0674139173510654,
"volume": 593.349290053797,
"volume_molar": 8.933082361375083,
"formula_full": "Ba4 Sr4 Ce4 Ti4 O24",
"formula_reduced": "BaSrCeTiO6",
"formula_anonymous": "ABCDE6",
"energy": -329.26719108,
"energy_per_atom": -8.231679777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.77919108,
"band_gap": 2.0698000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.332000Z",
"spacegroup": 16
},
{
"id": "mp-1518063",
"created_at": "2022-09-04T14:44:08.641390Z",
"structure_string": "Sr1 Ce1 Eu1 Ni1 O6\n1.0\n0.000000 -4.072037 -4.072037\n4.072037 0.000000 -4.072037\n4.072037 -4.072037 0.000000\nSr Ce Eu Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ni\n0.734077 0.265923 0.265923 O\n0.265923 0.734077 0.734077 O\n0.734077 0.265923 0.734077 O\n0.265923 0.734077 0.265923 O\n0.734077 0.734077 0.265923 O\n0.265923 0.265923 0.734077 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Ni",
"O"
],
"chemical_system": "Ce-Eu-Ni-O-Sr",
"density": 6.5711611120743525,
"density_atomic": 0.07405167012399054,
"volume": 135.04084355229548,
"volume_molar": 8.132349682210618,
"formula_full": "Sr1 Ce1 Eu1 Ni1 O6",
"formula_reduced": "SrCeEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -79.95019199,
"energy_per_atom": -7.995019199,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.28719199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.954000Z",
"spacegroup": 216
}
]
}