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=113",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=111",
"results": [
{
"id": "mp-1043932",
"created_at": "2022-09-04T14:41:49.715557Z",
"structure_string": "La4 Mg4 Fe4 Ag4 O24\n1.0\n5.525775 -0.000017 0.000087\n0.000119 5.099040 8.603680\n0.000155 -5.367567 8.776026\nLa Mg Fe Ag O\n4 4 4 4 24\ndirect\n0.063496 0.615607 0.639480 La\n0.063493 0.115611 0.139506 La\n0.436523 0.615622 0.139466 La\n0.436526 0.115620 0.639494 La\n0.567612 0.392715 0.851512 Mg\n0.567606 0.892724 0.351509 Mg\n0.932385 0.392721 0.351512 Mg\n0.932394 0.892721 0.851512 Mg\n0.510734 0.504184 0.498658 Fe\n0.989277 0.004183 0.498672 Fe\n0.510723 0.004175 0.998667 Fe\n0.989283 0.504176 0.998656 Fe\n0.498253 0.748305 0.756427 Ag\n0.498257 0.248310 0.256428 Ag\n0.001760 0.248303 0.756436 Ag\n0.001745 0.748308 0.256426 Ag\n0.034902 0.679416 0.014403 O\n0.034899 0.179414 0.514405 O\n0.465102 0.179417 0.014407 O\n0.465104 0.679419 0.514404 O\n0.200463 0.549248 0.363423 O\n0.200459 0.049246 0.863421 O\n0.299546 0.549247 0.863420 O\n0.299550 0.049248 0.363424 O\n0.189495 0.381634 0.184143 O\n0.189483 0.881635 0.684143 O\n0.310564 0.381558 0.684181 O\n0.310508 0.881635 0.184146 O\n0.568067 0.847134 0.954369 O\n0.568064 0.347126 0.454374 O\n0.931945 0.347128 0.954373 O\n0.931940 0.847122 0.454375 O\n0.728043 0.433034 0.159889 O\n0.727938 0.933031 0.659967 O\n0.771958 0.433055 0.659844 O\n0.771967 0.933034 0.159893 O\n0.728556 0.598731 0.327654 O\n0.728416 0.098730 0.827662 O\n0.771524 0.598736 0.827657 O\n0.771441 0.098733 0.327660 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Ag",
"O"
],
"chemical_system": "Ag-Fe-La-Mg-O",
"density": 5.590702006253264,
"density_atomic": 0.07960841026179366,
"volume": 502.45947467685,
"volume_molar": 7.5647042067491155,
"formula_full": "La4 Mg4 Fe4 Ag4 O24",
"formula_reduced": "LaMgFeAgO6",
"formula_anonymous": "ABCDE6",
"energy": -271.70855635,
"energy_per_atom": -6.79271390875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.19655635,
"band_gap": 0.0780000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.482000Z",
"spacegroup": 7
},
{
"id": "mp-1519244",
"created_at": "2022-09-04T14:45:41.602953Z",
"structure_string": "K4 Sr4 Nd4 W4 O24\n1.0\n8.512178 0.000000 0.000000\n0.000000 8.495929 0.000000\n0.000000 0.000000 8.511549\nK Sr Nd W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 -0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 -0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.250000 0.750000 0.250000 Nd\n0.750000 0.250000 0.250000 Nd\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\n0.021975 0.212370 0.274655 O\n0.978025 0.787630 0.274655 O\n0.978025 0.212370 0.725345 O\n0.021975 0.787630 0.725345 O\n0.268394 0.023322 0.221425 O\n0.268394 0.976678 0.778575 O\n0.731606 0.976678 0.221425 O\n0.731606 0.023322 0.778575 O\n0.222621 0.272869 0.022633 O\n0.777379 0.272869 0.977367 O\n0.222621 0.727131 0.977367 O\n0.777379 0.727131 0.022633 O\n0.478025 0.287630 0.225345 O\n0.521975 0.712370 0.225345 O\n0.521975 0.287630 0.774655 O\n0.478025 0.712370 0.774655 O\n0.231605 0.476678 0.278575 O\n0.231605 0.523322 0.721425 O\n0.768394 0.523322 0.278575 O\n0.768394 0.476678 0.721425 O\n0.277379 0.227131 0.477367 O\n0.722621 0.227131 0.522633 O\n0.277379 0.772869 0.522633 O\n0.722621 0.772869 0.477367 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nd",
"W",
"O"
],
"chemical_system": "K-Nd-O-Sr-W",
"density": 5.943472309308072,
"density_atomic": 0.0649830089072512,
"volume": 615.5455198618321,
"volume_molar": 9.26725441198832,
"formula_full": "K4 Sr4 Nd4 W4 O24",
"formula_reduced": "KSrNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -315.79501374,
"energy_per_atom": -7.8948753435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -281.55501374,
"band_gap": 2.8258,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.717000Z",
"spacegroup": 48
},
{
"id": "mp-1519575",
"created_at": "2022-09-04T14:45:42.418060Z",
"structure_string": "Pr1 Eu1 Zr1 Cr1 O6\n1.0\n-0.000000 -4.041953 -4.041953\n4.041953 -0.000000 -4.041953\n4.041953 -4.041953 0.000000\nPr Eu Zr Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Cr\n0.756028 0.243972 0.243972 O\n0.243972 0.756028 0.756028 O\n0.756028 0.243972 0.756028 O\n0.243972 0.756028 0.243972 O\n0.756028 0.756028 0.243972 O\n0.243972 0.243972 0.756028 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-Eu-O-Pr-Zr",
"density": 6.690043029894613,
"density_atomic": 0.0757174931078714,
"volume": 132.0698769801245,
"volume_molar": 7.953433893301933,
"formula_full": "Pr1 Eu1 Zr1 Cr1 O6",
"formula_reduced": "PrEuZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -95.31027507,
"energy_per_atom": -9.531027507000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.18927507,
"band_gap": 0.0218999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9999268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.085000Z",
"spacegroup": 216
},
{
"id": "mp-1521701",
"created_at": "2022-09-04T14:42:54.640113Z",
"structure_string": "Ba1 Ca1 Pr1 Sb1 O6\n1.0\n0.000000 -4.202735 -4.202735\n4.202735 0.000000 -4.202735\n4.202735 -4.202735 0.000000\nBa Ca Pr Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Sb\n0.736312 0.263688 0.263688 O\n0.263688 0.736312 0.736312 O\n0.736312 0.263688 0.736312 O\n0.263688 0.736312 0.263688 O\n0.736312 0.736312 0.263688 O\n0.263688 0.263688 0.736312 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-O-Pr-Sb",
"density": 5.99575413108075,
"density_atomic": 0.06735564262140795,
"volume": 148.4656609425868,
"volume_molar": 8.94081108222692,
"formula_full": "Ba1 Ca1 Pr1 Sb1 O6",
"formula_reduced": "BaCaPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.30980119,
"energy_per_atom": -7.130980119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.18780119,
"band_gap": 2.9508,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.040000Z",
"spacegroup": 216
},
{
"id": "mp-1516231",
"created_at": "2022-09-04T14:42:55.230315Z",
"structure_string": "K1 Zr1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.107187 -4.107187\n4.107187 0.000000 -4.107187\n4.107187 -4.107187 -0.000000\nK Zr Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Sn\n0.000000 -0.000000 0.000000 Sb\n0.756326 0.243674 0.243674 O\n0.243674 0.756326 0.756326 O\n0.756326 0.243674 0.756326 O\n0.243674 0.756326 0.243674 O\n0.756326 0.756326 0.243674 O\n0.243674 0.243674 0.756326 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Zr",
"Sn",
"Sb",
"O"
],
"chemical_system": "K-O-Sb-Sn-Zr",
"density": 5.5937880367780615,
"density_atomic": 0.07216665474276242,
"volume": 138.56815222549716,
"volume_molar": 8.344769175550512,
"formula_full": "K1 Zr1 Sn1 Sb1 O6",
"formula_reduced": "KZrSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.32885065,
"energy_per_atom": -7.132885065000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.20685065,
"band_gap": 2.7769000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.238000Z",
"spacegroup": 216
},
{
"id": "mp-1522207",
"created_at": "2022-09-04T14:39:15.297436Z",
"structure_string": "Na1 Pr1 Hf1 Ti1 O6\n1.0\n-0.000000 -3.997185 -3.997185\n3.997185 0.000000 -3.997185\n3.997185 -3.997185 -0.000000\nNa Pr Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743894 0.256106 0.256106 O\n0.256106 0.743894 0.743894 O\n0.743894 0.256106 0.743894 O\n0.256106 0.743894 0.256106 O\n0.743894 0.743894 0.256106 O\n0.256106 0.256106 0.743894 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Hf",
"Ti",
"O"
],
"chemical_system": "Hf-Na-O-Pr-Ti",
"density": 6.321449908310516,
"density_atomic": 0.07829017383386552,
"volume": 127.72995013678661,
"volume_molar": 7.692077389915102,
"formula_full": "Na1 Pr1 Hf1 Ti1 O6",
"formula_reduced": "NaPrHfTiO6",
"formula_anonymous": "ABCDE6",
"energy": -88.05995537,
"energy_per_atom": -8.805995537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.93795537,
"band_gap": 2.2549,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.717000Z",
"spacegroup": 216
},
{
"id": "mp-1517259",
"created_at": "2022-09-04T14:45:55.210963Z",
"structure_string": "Na4 Sr4 Tb4 Bi4 O24\n1.0\n8.530322 0.000000 0.000000\n0.000000 8.479087 0.000000\n0.000000 0.000000 8.501031\nNa Sr Tb Bi O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 -0.000000 0.500000 Na\n-0.000000 0.500000 0.000000 Na\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\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\n0.993251 0.238128 0.303790 O\n0.006749 0.761872 0.303790 O\n0.006749 0.238128 0.696210 O\n0.993251 0.761872 0.696210 O\n0.253470 0.992381 0.186897 O\n0.253470 0.007619 0.813103 O\n0.746530 0.007619 0.186897 O\n0.746530 0.992381 0.813103 O\n0.216797 0.312078 0.990892 O\n0.783203 0.312078 0.009108 O\n0.216797 0.687922 0.009108 O\n0.783203 0.687922 0.990892 O\n0.506749 0.261872 0.196210 O\n0.493251 0.738128 0.196210 O\n0.493251 0.261872 0.803790 O\n0.506749 0.738128 0.803790 O\n0.246530 0.507619 0.313103 O\n0.246530 0.492381 0.686897 O\n0.753470 0.492381 0.313103 O\n0.753470 0.507619 0.686897 O\n0.283203 0.187922 0.509108 O\n0.716797 0.187922 0.490892 O\n0.283203 0.812078 0.490892 O\n0.716797 0.812078 0.509108 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Tb",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O-Sr-Tb",
"density": 6.206146394287371,
"density_atomic": 0.06505398046975183,
"volume": 614.8739817481086,
"volume_molar": 9.257144169371953,
"formula_full": "Na4 Sr4 Tb4 Bi4 O24",
"formula_reduced": "NaSrTbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -259.72522336,
"energy_per_atom": -6.493130583999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.23722336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9999971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.623000Z",
"spacegroup": 48
},
{
"id": "mp-1518021",
"created_at": "2022-09-04T14:48:28.704923Z",
"structure_string": "Ba2 Ca2 Eu2 Nb2 O12\n1.0\n5.945824 -0.017097 -0.027723\n-0.022989 6.033517 -0.035225\n-0.046474 -0.055165 8.473291\nBa Ca Eu Nb O\n2 2 2 2 12\ndirect\n0.505729 0.534325 0.250984 Ba\n0.494271 0.465675 0.749016 Ba\n0.990305 0.045074 0.254336 Ca\n0.009695 0.954926 0.745664 Ca\n0.000000 0.500000 0.000000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.226546 0.186602 0.939977 O\n0.273302 0.694648 0.532120 O\n0.773454 0.813398 0.060023 O\n0.726698 0.305352 0.467880 O\n0.306898 0.729358 0.957639 O\n0.180606 0.219940 0.553479 O\n0.693102 0.270642 0.042361 O\n0.819394 0.780060 0.446521 O\n0.391698 0.996862 0.230625 O\n0.066756 0.445324 0.267913 O\n0.608302 0.003138 0.769375 O\n0.933244 0.554676 0.732087 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Eu-Nb-O",
"density": 5.6628415024249295,
"density_atomic": 0.06580028077345418,
"volume": 303.95007080377997,
"volume_molar": 9.152150551961647,
"formula_full": "Ba2 Ca2 Eu2 Nb2 O12",
"formula_reduced": "BaCaEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -171.83090142,
"energy_per_atom": -8.591545071,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.58690142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:47.425000Z",
"spacegroup": 2
},
{
"id": "mp-1520907",
"created_at": "2022-09-04T14:45:08.377736Z",
"structure_string": "K1 Eu1 Dy1 W1 O6\n1.0\n0.000000 -4.185276 -4.185276\n4.185276 -0.000000 -4.185276\n4.185276 -4.185276 -0.000000\nK Eu Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.733357 0.266643 0.266643 O\n0.266643 0.733357 0.733357 O\n0.733357 0.266643 0.733357 O\n0.266643 0.733357 0.266643 O\n0.733357 0.733357 0.266643 O\n0.266643 0.266643 0.733357 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Dy",
"W",
"O"
],
"chemical_system": "Dy-Eu-K-O-W",
"density": 7.173382028283357,
"density_atomic": 0.06820209184910764,
"volume": 146.6230687194214,
"volume_molar": 8.829847584915086,
"formula_full": "K1 Eu1 Dy1 W1 O6",
"formula_reduced": "KEuDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -87.86849842000001,
"energy_per_atom": -8.786849842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.30849842,
"band_gap": 0.3304,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.806000Z",
"spacegroup": 216
},
{
"id": "mp-1516478",
"created_at": "2022-09-04T14:42:06.379179Z",
"structure_string": "K1 Sr1 Nd1 Fe1 O6\n1.0\n0.000000 -4.172939 -4.172939\n4.172939 -0.000000 -4.172939\n4.172939 -4.172939 -0.000000\nK Sr Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 0.000000 -0.000000 Fe\n0.775013 0.224987 0.224987 O\n0.224987 0.775013 0.775013 O\n0.775013 0.224987 0.775013 O\n0.224987 0.775013 0.224987 O\n0.775013 0.775013 0.224987 O\n0.224987 0.224987 0.775013 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nd",
"Fe",
"O"
],
"chemical_system": "Fe-K-Nd-O-Sr",
"density": 4.830918579362122,
"density_atomic": 0.06880878599842827,
"volume": 145.33027802915197,
"volume_molar": 8.751993909814885,
"formula_full": "K1 Sr1 Nd1 Fe1 O6",
"formula_reduced": "KSrNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -67.69022171,
"energy_per_atom": -6.7690221710000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.31222171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.835000Z",
"spacegroup": 216
},
{
"id": "mp-1522334",
"created_at": "2022-09-04T14:45:55.639659Z",
"structure_string": "Ca1 Eu1 Zn1 W1 O6\n1.0\n-0.000000 -4.012048 -4.012048\n4.012048 0.000000 -4.012048\n4.012048 -4.012048 -0.000000\nCa Eu Zn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Zn\n0.500000 0.500000 0.500000 W\n0.742267 0.257733 0.257733 O\n0.257733 0.742267 0.742267 O\n0.742267 0.257733 0.742267 O\n0.257733 0.742267 0.257733 O\n0.742267 0.742267 0.257733 O\n0.257733 0.257733 0.742267 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zn",
"W",
"O"
],
"chemical_system": "Ca-Eu-O-W-Zn",
"density": 6.907603438228872,
"density_atomic": 0.07742329381565582,
"volume": 129.1600952009341,
"volume_molar": 7.778202738750257,
"formula_full": "Ca1 Eu1 Zn1 W1 O6",
"formula_reduced": "CaEuZnWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.06570418,
"energy_per_atom": -8.206570418,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.50570418,
"band_gap": 0.4771000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.261000Z",
"spacegroup": 216
},
{
"id": "mp-1516693",
"created_at": "2022-09-04T14:44:14.840747Z",
"structure_string": "Ba1 Eu1 Sn1 W1 O6\n1.0\n0.000000 -4.327959 -4.327959\n4.327959 0.000000 -4.327959\n4.327959 -4.327959 0.000000\nBa Eu Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Sn\n0.500000 0.500000 0.500000 W\n0.725865 0.274135 0.274135 O\n0.274135 0.725865 0.725865 O\n0.725865 0.274135 0.725865 O\n0.274135 0.725865 0.274135 O\n0.725865 0.725865 0.274135 O\n0.274135 0.274135 0.725865 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Sn",
"W",
"O"
],
"chemical_system": "Ba-Eu-O-Sn-W",
"density": 7.044585981353185,
"density_atomic": 0.06167662356000455,
"volume": 162.13598317798807,
"volume_molar": 9.764057129588362,
"formula_full": "Ba1 Eu1 Sn1 W1 O6",
"formula_reduced": "BaEuSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.16870821,
"energy_per_atom": -8.316870821,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.60870821,
"band_gap": 0.8804999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.216000Z",
"spacegroup": 216
}
]
}