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=55",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=53",
"results": [
{
"id": "mp-1227861",
"created_at": "2022-09-04T14:39:43.616035Z",
"structure_string": "Ba4 La4 Ti4 Cr4 O24\n1.0\n0.000000 0.000000 7.964801\n-7.964801 -3.982400 3.982400\n0.000000 -7.964801 0.000000\nBa La Ti Cr O\n4 4 4 4 24\ndirect\n0.250000 0.500000 0.750000 Ba\n0.500000 0.000000 0.500000 Ba\n0.750000 0.500000 0.250000 Ba\n0.000000 0.000000 0.000000 Ba\n0.750000 0.500000 0.750000 La\n0.000000 0.000000 0.500000 La\n0.250000 0.500000 0.250000 La\n0.500000 0.000000 0.000000 La\n0.375000 0.750000 0.375000 Ti\n0.625000 0.250000 0.125000 Ti\n0.875000 0.750000 0.875000 Ti\n0.125000 0.250000 0.625000 Ti\n0.125000 0.250000 0.125000 Cr\n0.375000 0.750000 0.875000 Cr\n0.875000 0.750000 0.375000 Cr\n0.625000 0.250000 0.625000 Cr\n0.622625 0.750000 0.375000 O\n0.872625 0.250000 0.125000 O\n0.122625 0.750000 0.875000 O\n0.372625 0.250000 0.625000 O\n0.127375 0.750000 0.375000 O\n0.377375 0.250000 0.125000 O\n0.627375 0.750000 0.875000 O\n0.877375 0.250000 0.625000 O\n0.375000 0.750000 0.127375 O\n0.625000 0.250000 0.877375 O\n0.875000 0.750000 0.627375 O\n0.125000 0.250000 0.377375 O\n0.375000 0.750000 0.622625 O\n0.625000 0.250000 0.372625 O\n0.875000 0.750000 0.122625 O\n0.125000 0.250000 0.872625 O\n0.498812 0.502375 0.498812 O\n0.748812 0.002375 0.248812 O\n0.998812 0.502375 0.998812 O\n0.248812 0.002375 0.748812 O\n0.251188 0.997625 0.251188 O\n0.501188 0.497625 0.001188 O\n0.751188 0.997625 0.751188 O\n0.001188 0.497625 0.501188 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-La-O-Ti",
"density": 6.205987747693818,
"density_atomic": 0.07916536217373694,
"volume": 505.2714836599329,
"volume_molar": 7.60703999153539,
"formula_full": "Ba4 La4 Ti4 Cr4 O24",
"formula_reduced": "BaLaTiCrO6",
"formula_anonymous": "ABCDE6",
"energy": -347.99828965999995,
"energy_per_atom": -8.699957241499998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.51428966000003,
"band_gap": 2.2522,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.250000Z",
"spacegroup": 216
},
{
"id": "mp-1517268",
"created_at": "2022-09-04T14:43:34.672352Z",
"structure_string": "Ba1 Ca1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.028112 -4.028112\n4.028112 0.000000 -4.028112\n4.028112 -4.028112 0.000000\nBa Ca Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.755999 0.244001 0.244001 O\n0.244001 0.755999 0.755999 O\n0.755999 0.244001 0.755999 O\n0.244001 0.755999 0.244001 O\n0.755999 0.755999 0.244001 O\n0.244001 0.244001 0.755999 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ba-Ca-Cr-O-Sn",
"density": 5.641603980339527,
"density_atomic": 0.07650069700133814,
"volume": 130.71776326201422,
"volume_molar": 7.872007701962064,
"formula_full": "Ba1 Ca1 Cr1 Sn1 O6",
"formula_reduced": "BaCaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -71.97087381,
"energy_per_atom": -7.197087381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.84987381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.428000Z",
"spacegroup": 216
},
{
"id": "mp-1517924",
"created_at": "2022-09-04T14:44:25.684735Z",
"structure_string": "Ba1 Sr1 Tb1 Zr1 O6\n1.0\n-0.000000 -4.342379 -4.342379\n4.342379 -0.000000 -4.342379\n4.342379 -4.342379 -0.000000\nBa Sr Tb Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 Tb\n0.500000 0.500000 0.500000 Zr\n0.742295 0.257705 0.257705 O\n0.257705 0.742295 0.742295 O\n0.742295 0.257705 0.742295 O\n0.257705 0.742295 0.257705 O\n0.742295 0.742295 0.257705 O\n0.257705 0.257705 0.742295 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Zr",
"O"
],
"chemical_system": "Ba-O-Sr-Tb-Zr",
"density": 5.790853412656235,
"density_atomic": 0.061064221851168124,
"volume": 163.76201475838025,
"volume_molar": 9.86197904016163,
"formula_full": "Ba1 Sr1 Tb1 Zr1 O6",
"formula_reduced": "BaSrTbZrO6",
"formula_anonymous": "ABCDE6",
"energy": -79.88725011,
"energy_per_atom": -7.988725011,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.76525011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.896000Z",
"spacegroup": 216
},
{
"id": "mp-1218066",
"created_at": "2022-09-04T14:41:17.588995Z",
"structure_string": "Sr2 Nd2 Zn2 Ru2 O12\n1.0\n5.734128 0.000000 0.000000\n0.000000 5.601316 0.000000\n0.000000 5.596865 7.916832\nSr Nd Zn Ru O\n2 2 2 2 12\ndirect\n0.210237 0.242486 0.250710 Sr\n0.789763 0.242486 0.750710 Sr\n0.308554 0.763806 0.751688 Nd\n0.691446 0.763806 0.251688 Nd\n0.760451 0.499472 0.001872 Zn\n0.239549 0.499472 0.501872 Zn\n0.752474 0.001448 0.499304 Ru\n0.247526 0.001448 0.999304 Ru\n0.041115 0.139052 0.548130 O\n0.958885 0.139052 0.048130 O\n0.477160 0.835058 0.456034 O\n0.522840 0.835058 0.956034 O\n0.942924 0.757178 0.452096 O\n0.057076 0.757178 0.952096 O\n0.539820 0.234918 0.539818 O\n0.460180 0.234918 0.039818 O\n0.767142 0.339599 0.257877 O\n0.232858 0.339599 0.757877 O\n0.721974 0.686983 0.742471 O\n0.278026 0.686983 0.242471 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Zn",
"Ru",
"O"
],
"chemical_system": "Nd-O-Ru-Sr-Zn",
"density": 6.4564482687362945,
"density_atomic": 0.07865405348133671,
"volume": 254.27805834248156,
"volume_molar": 7.656491297589581,
"formula_full": "Sr2 Nd2 Zn2 Ru2 O12",
"formula_reduced": "SrNdZnRuO6",
"formula_anonymous": "ABCDE6",
"energy": -143.1739765,
"energy_per_atom": -7.158698825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.9299765,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9996396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.349000Z",
"spacegroup": 7
},
{
"id": "mp-1520202",
"created_at": "2022-09-04T14:41:58.831535Z",
"structure_string": "Sr1 In1 Ga1 W1 O6\n1.0\n0.000000 -3.994936 -3.994936\n3.994936 0.000000 -3.994936\n3.994936 -3.994936 0.000000\nSr In Ga W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 W\n0.745715 0.254285 0.254285 O\n0.254285 0.745715 0.745715 O\n0.745715 0.254285 0.745715 O\n0.254285 0.745715 0.254285 O\n0.745715 0.745715 0.254285 O\n0.254285 0.254285 0.745715 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"In",
"Ga",
"W",
"O"
],
"chemical_system": "Ga-In-O-Sr-W",
"density": 7.188307638700617,
"density_atomic": 0.07842247163011654,
"volume": 127.51447119858061,
"volume_molar": 7.679100944948184,
"formula_full": "Sr1 In1 Ga1 W1 O6",
"formula_reduced": "SrInGaWO6",
"formula_anonymous": "ABCDE6",
"energy": -72.20874783,
"energy_per_atom": -7.220874782999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.64874782999999,
"band_gap": 0.9516999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.977000Z",
"spacegroup": 216
},
{
"id": "mp-1521970",
"created_at": "2022-09-04T14:40:35.511168Z",
"structure_string": "Sr4 Ca4 Eu4 Bi4 O24\n1.0\n8.546004 0.000000 0.000000\n0.000000 8.544621 0.000000\n0.000000 0.000000 8.543976\nSr Ca Eu Bi O\n4 4 4 4 24\ndirect\n-0.000000 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\n0.500000 -0.000000 -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\n0.249765 0.247842 0.249724 Eu\n0.750235 0.752158 0.249724 Eu\n0.750235 0.247842 0.750276 Eu\n0.249765 0.752158 0.750276 Eu\n0.749679 0.752583 0.750179 Bi\n0.250321 0.247417 0.750179 Bi\n0.250321 0.752583 0.249821 Bi\n0.749679 0.247417 0.249821 Bi\n0.989837 0.189082 0.295298 O\n0.010163 0.810917 0.295298 O\n0.010163 0.189082 0.704702 O\n0.989837 0.810917 0.704702 O\n0.297784 0.991102 0.190985 O\n0.297784 0.008898 0.809015 O\n0.702216 0.008898 0.190985 O\n0.702216 0.991102 0.809015 O\n0.197223 0.285755 0.990689 O\n0.802777 0.285755 0.009311 O\n0.197223 0.714245 0.009311 O\n0.802777 0.714245 0.990689 O\n0.508528 0.300699 0.214814 O\n0.491472 0.699301 0.214814 O\n0.491472 0.300699 0.785186 O\n0.508528 0.699301 0.785186 O\n0.212048 0.509627 0.297323 O\n0.212048 0.490373 0.702677 O\n0.787952 0.490373 0.297323 O\n0.787952 0.509627 0.702677 O\n0.299963 0.212482 0.508626 O\n0.700037 0.212482 0.491374 O\n0.299963 0.787518 0.491374 O\n0.700037 0.787518 0.508626 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Eu",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Eu-O-Sr",
"density": 6.224160847610067,
"density_atomic": 0.06411270129546992,
"volume": 623.9013361121055,
"volume_molar": 9.393054166047925,
"formula_full": "Sr4 Ca4 Eu4 Bi4 O24",
"formula_reduced": "SrCaEuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -292.06631941,
"energy_per_atom": -7.30165798525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.57831941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.508000Z",
"spacegroup": 16
},
{
"id": "mp-1518116",
"created_at": "2022-09-04T14:41:03.732272Z",
"structure_string": "Ba1 Sr1 Ti1 Bi1 O6\n1.0\n-0.000000 -4.196891 -4.196891\n4.196891 0.000000 -4.196891\n4.196891 -4.196891 0.000000\nBa Sr Ti Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Bi\n0.735393 0.264607 0.264607 O\n0.264607 0.735393 0.735393 O\n0.735393 0.264607 0.735393 O\n0.264607 0.735393 0.264607 O\n0.735393 0.735393 0.264607 O\n0.264607 0.264607 0.735393 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ti",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Sr-Ti",
"density": 6.489431523516262,
"density_atomic": 0.06763740457705711,
"volume": 147.84718696009872,
"volume_molar": 8.903565708437508,
"formula_full": "Ba1 Sr1 Ti1 Bi1 O6",
"formula_reduced": "BaSrTiBiO6",
"formula_anonymous": "ABCDE6",
"energy": -72.95611966,
"energy_per_atom": -7.295611966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.83411966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.401000Z",
"spacegroup": 216
},
{
"id": "mp-1523171",
"created_at": "2022-09-04T14:43:35.622127Z",
"structure_string": "Na1 Eu1 Zr1 Sb1 O6\n1.0\n0.000000 -4.077964 -4.077964\n4.077964 0.000000 -4.077964\n4.077964 -4.077964 0.000000\nNa Eu Zr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.756200 0.243800 0.243800 O\n0.243800 0.756200 0.756200 O\n0.756200 0.243800 0.756200 O\n0.243800 0.756200 0.243800 O\n0.756200 0.756200 0.243800 O\n0.243800 0.243800 0.756200 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Eu",
"Zr",
"Sb",
"O"
],
"chemical_system": "Eu-Na-O-Sb-Zr",
"density": 5.92482090061481,
"density_atomic": 0.0737292543461184,
"volume": 135.63137303756642,
"volume_molar": 8.167912199042938,
"formula_full": "Na1 Eu1 Zr1 Sb1 O6",
"formula_reduced": "NaEuZrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.99500028,
"energy_per_atom": -8.199500028,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.87300028,
"band_gap": 0.0907,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.188000Z",
"spacegroup": 216
},
{
"id": "mp-1520873",
"created_at": "2022-09-04T14:45:58.320374Z",
"structure_string": "Sr4 Sm4 Eu4 Sb4 O24\n1.0\n8.507327 0.000000 0.000000\n0.000000 8.505896 0.000000\n0.000000 0.000000 8.522386\nSr Sm Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.250602 0.249685 0.250113 Sm\n0.749398 0.750315 0.250113 Sm\n0.749398 0.249685 0.749887 Sm\n0.250602 0.750315 0.749887 Sm\n0.500000 -0.000000 0.500000 Eu\n0.000000 -0.000000 0.500000 Eu\n0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.749228 0.749880 0.750316 Sb\n0.250772 0.250120 0.750316 Sb\n0.250772 0.749880 0.249684 Sb\n0.749228 0.250120 0.249684 Sb\n0.984129 0.205690 0.285559 O\n0.015871 0.794310 0.285559 O\n0.015871 0.205690 0.714441 O\n0.984129 0.794310 0.714441 O\n0.282567 0.984146 0.209773 O\n0.282567 0.015854 0.790227 O\n0.717433 0.015854 0.209773 O\n0.717433 0.984146 0.790227 O\n0.208610 0.281662 0.984696 O\n0.791390 0.281662 0.015304 O\n0.208610 0.718338 0.015304 O\n0.791390 0.718338 0.984696 O\n0.515433 0.291154 0.218153 O\n0.484567 0.708846 0.218153 O\n0.484567 0.291154 0.781847 O\n0.515433 0.708846 0.781847 O\n0.217767 0.515604 0.291348 O\n0.217767 0.484396 0.708652 O\n0.782233 0.484396 0.291348 O\n0.782233 0.515604 0.708652 O\n0.292473 0.214689 0.516184 O\n0.707527 0.214689 0.483816 O\n0.292473 0.785311 0.483816 O\n0.707527 0.785311 0.516184 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-O-Sb-Sm-Sr",
"density": 6.5452195021802115,
"density_atomic": 0.06486129211178365,
"volume": 616.7006345026699,
"volume_molar": 9.284645069390976,
"formula_full": "Sr4 Sm4 Eu4 Sb4 O24",
"formula_reduced": "SrSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -321.9151004,
"energy_per_atom": -8.04787751,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.4271004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0034279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.539000Z",
"spacegroup": 16
},
{
"id": "mp-1523094",
"created_at": "2022-09-04T14:43:53.507909Z",
"structure_string": "K4 Sr4 Eu4 W4 O24\n1.0\n8.438315 0.000000 0.000000\n0.000000 8.510833 0.000000\n0.000000 0.000000 8.474203\nK Sr Eu W O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 -0.000000 K\n-0.000000 -0.000000 0.500000 K\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.750000 Eu\n0.250000 0.750000 0.250000 Eu\n0.750000 0.250000 0.250000 Eu\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\n0.021933 0.226166 0.271305 O\n0.978067 0.773834 0.271305 O\n0.978067 0.226166 0.728695 O\n0.021933 0.773834 0.728695 O\n0.271741 0.020155 0.212290 O\n0.271741 0.979845 0.787710 O\n0.728259 0.979845 0.212290 O\n0.728259 0.020155 0.787710 O\n0.223420 0.267728 0.020514 O\n0.776580 0.267728 0.979486 O\n0.223420 0.732272 0.979486 O\n0.776580 0.732272 0.020514 O\n0.478067 0.273834 0.228695 O\n0.521933 0.726166 0.228695 O\n0.521933 0.273834 0.771305 O\n0.478067 0.726166 0.771305 O\n0.228259 0.479845 0.287710 O\n0.228259 0.520155 0.712290 O\n0.771741 0.520155 0.287710 O\n0.771741 0.479845 0.712290 O\n0.276580 0.232272 0.479486 O\n0.723420 0.232272 0.520514 O\n0.276580 0.767728 0.520514 O\n0.723420 0.767728 0.479486 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Eu",
"W",
"O"
],
"chemical_system": "Eu-K-O-Sr-W",
"density": 6.095651669184013,
"density_atomic": 0.06572541329133812,
"volume": 608.5925975496538,
"volume_molar": 9.162575719845115,
"formula_full": "K4 Sr4 Eu4 W4 O24",
"formula_reduced": "KSrEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -331.47358316000003,
"energy_per_atom": -8.286839579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.23358316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.009000Z",
"spacegroup": 48
},
{
"id": "mp-1518138",
"created_at": "2022-09-04T14:41:49.120438Z",
"structure_string": "Sr1 Pr1 Dy1 Fe1 O6\n1.0\n-0.000000 -4.093135 -4.093135\n4.093135 0.000000 -4.093135\n4.093135 -4.093135 -0.000000\nSr Pr Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.736001 0.263999 0.263999 O\n0.263999 0.736001 0.736001 O\n0.736001 0.263999 0.736001 O\n0.263999 0.736001 0.263999 O\n0.736001 0.736001 0.263999 O\n0.263999 0.263999 0.736001 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Dy",
"Fe",
"O"
],
"chemical_system": "Dy-Fe-O-Pr-Sr",
"density": 6.572732806609978,
"density_atomic": 0.07291246784644256,
"volume": 137.1507548072645,
"volume_molar": 8.259411507895935,
"formula_full": "Sr1 Pr1 Dy1 Fe1 O6",
"formula_reduced": "SrPrDyFeO6",
"formula_anonymous": "ABCDE6",
"energy": -77.76163054,
"energy_per_atom": -7.7761630539999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.38363054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.478000Z",
"spacegroup": 216
},
{
"id": "mp-1521062",
"created_at": "2022-09-04T14:43:53.288932Z",
"structure_string": "Sr1 Eu1 Zr1 Mn1 O6\n1.0\n0.000000 -4.027273 -4.027273\n4.027273 0.000000 -4.027273\n4.027273 -4.027273 -0.000000\nSr Eu Zr Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Mn\n0.759045 0.240955 0.240955 O\n0.240955 0.759045 0.759045 O\n0.759045 0.240955 0.759045 O\n0.240955 0.759045 0.240955 O\n0.759045 0.759045 0.240955 O\n0.240955 0.240955 0.759045 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Zr",
"Mn",
"O"
],
"chemical_system": "Eu-Mn-O-Sr-Zr",
"density": 6.123515237576474,
"density_atomic": 0.07654851903164596,
"volume": 130.6361001689124,
"volume_molar": 7.867089835546504,
"formula_full": "Sr1 Eu1 Zr1 Mn1 O6",
"formula_reduced": "SrEuZrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -90.04794256,
"energy_per_atom": -9.004794256,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.25794256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.922000Z",
"spacegroup": 216
}
]
}