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=164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=162",
"results": [
{
"id": "mp-1519937",
"created_at": "2022-09-04T14:40:31.508120Z",
"structure_string": "Sr4 Nd4 Eu4 Nb4 O24\n1.0\n8.518851 0.000000 0.000000\n0.000000 8.487829 0.000000\n0.000000 0.000000 8.495129\nSr Nd Eu Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.500000 0.500000 0.000000 Eu\n-0.000000 -0.000000 0.500000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.980680 0.200168 0.290576 O\n0.019320 0.799832 0.290576 O\n0.019320 0.200168 0.709424 O\n0.980680 0.799832 0.709424 O\n0.289456 0.980324 0.201305 O\n0.289456 0.019676 0.798695 O\n0.710544 0.019676 0.201305 O\n0.710544 0.980324 0.798695 O\n0.201455 0.289577 0.980496 O\n0.798545 0.289577 0.019504 O\n0.201455 0.710423 0.019504 O\n0.798545 0.710423 0.980496 O\n0.519320 0.299832 0.209424 O\n0.480680 0.700168 0.209424 O\n0.480680 0.299832 0.790576 O\n0.519320 0.700168 0.790576 O\n0.210544 0.519676 0.298695 O\n0.210544 0.480324 0.701305 O\n0.789456 0.480324 0.298695 O\n0.789456 0.519676 0.701305 O\n0.298545 0.210423 0.519504 O\n0.701455 0.210423 0.480496 O\n0.298545 0.789577 0.480496 O\n0.701455 0.789577 0.519504 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-Nd-O-Sr",
"density": 6.193133962428341,
"density_atomic": 0.06511969676147354,
"volume": 614.2534745902719,
"volume_molar": 9.247802215754252,
"formula_full": "Sr4 Nd4 Eu4 Nb4 O24",
"formula_reduced": "SrNdEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -359.48920097,
"energy_per_atom": -8.98723002425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -343.00120097,
"band_gap": 0.0962999999999993,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.9790709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.594000Z",
"spacegroup": 48
},
{
"id": "mp-1519016",
"created_at": "2022-09-04T14:40:33.635401Z",
"structure_string": "Ba1 Eu1 Hf1 Nb1 O6\n1.0\n0.000000 -4.150585 -4.150585\n4.150585 -0.000000 -4.150585\n4.150585 -4.150585 0.000000\nBa Eu Hf Nb 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 Hf\n0.500000 0.500000 0.500000 Nb\n0.748601 0.251399 0.251399 O\n0.251399 0.748601 0.748601 O\n0.748601 0.251399 0.748601 O\n0.251399 0.748601 0.251399 O\n0.748601 0.748601 0.251399 O\n0.251399 0.251399 0.748601 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Hf",
"Nb",
"O"
],
"chemical_system": "Ba-Eu-Hf-Nb-O",
"density": 7.6251335504657725,
"density_atomic": 0.06992654450909735,
"volume": 143.00720949680294,
"volume_molar": 8.612095452845562,
"formula_full": "Ba1 Eu1 Hf1 Nb1 O6",
"formula_reduced": "BaEuHfNbO6",
"formula_anonymous": "ABCDE6",
"energy": -96.08404628,
"energy_per_atom": -9.608404627999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.96204628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3471057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.611000Z",
"spacegroup": 216
},
{
"id": "mp-1518293",
"created_at": "2022-09-04T14:40:35.689386Z",
"structure_string": "Ba4 Sr4 Dy4 Nb4 O24\n1.0\n8.448548 0.000000 0.000000\n0.000000 8.454657 0.000000\n0.000000 0.000000 8.462228\nBa Sr Dy Nb 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\n0.000000 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\n0.000000 0.500000 -0.000000 Sr\n0.749176 0.747682 0.749753 Dy\n0.250824 0.252318 0.749753 Dy\n0.250824 0.747682 0.250247 Dy\n0.749176 0.252318 0.250247 Dy\n0.249537 0.253625 0.250907 Nb\n0.750463 0.746375 0.250907 Nb\n0.750463 0.253625 0.749093 Nb\n0.249537 0.746375 0.749093 Nb\n0.013070 0.230009 0.272842 O\n0.986930 0.769991 0.272842 O\n0.986930 0.230009 0.727158 O\n0.013070 0.769991 0.727158 O\n0.270191 0.014656 0.227952 O\n0.270191 0.985344 0.772048 O\n0.729809 0.985344 0.227952 O\n0.729809 0.014656 0.772048 O\n0.220718 0.281361 0.013427 O\n0.779282 0.281361 0.986573 O\n0.220718 0.718639 0.986573 O\n0.779282 0.718639 0.013427 O\n0.485482 0.285699 0.217484 O\n0.514518 0.714302 0.217484 O\n0.514518 0.285699 0.782516 O\n0.485482 0.714302 0.782516 O\n0.218540 0.487165 0.286660 O\n0.218540 0.512835 0.713340 O\n0.781460 0.512835 0.286660 O\n0.781460 0.487165 0.713340 O\n0.285484 0.222131 0.486006 O\n0.714516 0.222131 0.513994 O\n0.285484 0.777869 0.513994 O\n0.714516 0.777869 0.486006 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Nb",
"O"
],
"chemical_system": "Ba-Dy-Nb-O-Sr",
"density": 6.333334539855615,
"density_atomic": 0.06617549518689987,
"volume": 604.4533537229718,
"volume_molar": 9.100257947434518,
"formula_full": "Ba4 Sr4 Dy4 Nb4 O24",
"formula_reduced": "BaSrDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -330.1848482,
"energy_per_atom": -8.254621205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.6968482,
"band_gap": 2.9792,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.281000Z",
"spacegroup": 16
},
{
"id": "mp-1519593",
"created_at": "2022-09-04T14:40:32.566398Z",
"structure_string": "Na1 Sr1 Sm1 Mn1 O6\n1.0\n0.000000 -4.158221 -4.158221\n4.158221 0.000000 -4.158221\n4.158221 -4.158221 0.000000\nNa Sr Sm Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.771943 0.228057 0.228057 O\n0.228057 0.771943 0.771943 O\n0.771943 0.228057 0.771943 O\n0.228057 0.771943 0.228057 O\n0.771943 0.771943 0.228057 O\n0.228057 0.228057 0.771943 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O-Sm-Sr",
"density": 4.756556228450003,
"density_atomic": 0.06954202010423677,
"volume": 143.7979510087709,
"volume_molar": 8.659715019744024,
"formula_full": "Na1 Sr1 Sm1 Mn1 O6",
"formula_reduced": "NaSrSmMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.83245360000001,
"energy_per_atom": -6.983245360000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.0424536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.586000Z",
"spacegroup": 216
},
{
"id": "mp-1521463",
"created_at": "2022-09-04T14:40:36.930354Z",
"structure_string": "K1 Zr1 Sn1 Bi1 O6\n1.0\n0.000000 -4.139267 -4.139267\n4.139267 0.000000 -4.139267\n4.139267 -4.139267 0.000000\nK Zr Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Bi\n0.752147 0.247853 0.247853 O\n0.247853 0.752147 0.752147 O\n0.752147 0.247853 0.752147 O\n0.247853 0.752147 0.247853 O\n0.752147 0.752147 0.247853 O\n0.247853 0.247853 0.752147 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Zr",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Sn-Zr",
"density": 6.485831727218443,
"density_atomic": 0.07050171490049749,
"volume": 141.84052138467112,
"volume_molar": 8.541835852502796,
"formula_full": "K1 Zr1 Sn1 Bi1 O6",
"formula_reduced": "KZrSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.31055521,
"energy_per_atom": -7.031055521000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.18855521,
"band_gap": 0.9464,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.164000Z",
"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-1227851",
"created_at": "2022-09-04T14:40:39.543151Z",
"structure_string": "Ba1 La1 Nb1 Cr1 O6\n1.0\n0.000000 4.049796 4.049796\n4.049796 0.000000 4.049796\n4.049796 4.049796 0.000000\nBa La Nb Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n0.752340 0.752340 0.247660 O\n0.247660 0.752340 0.247660 O\n0.752340 0.247660 0.247660 O\n0.247660 0.247660 0.752340 O\n0.752340 0.247660 0.752340 O\n0.247660 0.752340 0.752340 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Nb",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-La-Nb-O",
"density": 6.464285472616185,
"density_atomic": 0.07527843176084907,
"volume": 132.8401743512518,
"volume_molar": 7.999822285261801,
"formula_full": "Ba1 La1 Nb1 Cr1 O6",
"formula_reduced": "BaLaNbCrO6",
"formula_anonymous": "ABCDE6",
"energy": -86.96294436,
"energy_per_atom": -8.696294435999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.84194436000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.244000Z",
"spacegroup": 216
},
{
"id": "mp-1520390",
"created_at": "2022-09-04T14:42:14.154605Z",
"structure_string": "Ba2 La2 Eu2 Sb2 O12\n1.0\n6.066810 -0.000292 -0.022191\n-0.005885 6.117127 -0.018706\n-0.038475 -0.032722 8.623008\nBa La Eu Sb O\n2 2 2 2 12\ndirect\n0.505733 0.526542 0.250306 Ba\n0.494267 0.473458 0.749694 Ba\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.991075 0.036705 0.252748 Eu\n0.008925 0.963295 0.747252 Eu\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.236816 0.193783 0.947171 O\n0.265865 0.696678 0.528062 O\n0.763184 0.806217 0.052829 O\n0.734135 0.303322 0.471938 O\n0.303043 0.737876 0.958738 O\n0.184791 0.228489 0.548645 O\n0.696957 0.262124 0.041262 O\n0.815209 0.771511 0.451355 O\n0.403407 0.995166 0.227589 O\n0.062833 0.453874 0.271281 O\n0.596593 0.004834 0.772411 O\n0.937167 0.546126 0.728719 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-La-O-Sb",
"density": 6.703867146945648,
"density_atomic": 0.062499345516024825,
"volume": 320.0033509930436,
"volume_molar": 9.635526116758975,
"formula_full": "Ba2 La2 Eu2 Sb2 O12",
"formula_reduced": "BaLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -161.97924215,
"energy_per_atom": -8.0989621075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.73524215,
"band_gap": 0.2517000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.528000Z",
"spacegroup": 2
},
{
"id": "mp-1516720",
"created_at": "2022-09-04T14:42:10.045538Z",
"structure_string": "Sr1 Ca1 Ti1 Nb1 O6\n1.0\n-0.000000 -3.994793 -3.994793\n3.994793 -0.000000 -3.994793\n3.994793 -3.994793 0.000000\nSr Ca Ti Nb 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 Ti\n-0.000000 -0.000000 -0.000000 Nb\n0.747307 0.252693 0.252693 O\n0.252693 0.747307 0.747307 O\n0.747307 0.252693 0.747307 O\n0.252693 0.747307 0.252693 O\n0.747307 0.747307 0.252693 O\n0.252693 0.252693 0.747307 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Sr-Ti",
"density": 4.746739546834411,
"density_atomic": 0.07843089370471645,
"volume": 127.5007784260228,
"volume_molar": 7.678276346910806,
"formula_full": "Sr1 Ca1 Ti1 Nb1 O6",
"formula_reduced": "SrCaTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -84.73100374,
"energy_per_atom": -8.473100374000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.60900374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.804000Z",
"spacegroup": 216
},
{
"id": "mp-1521843",
"created_at": "2022-09-04T14:42:15.192017Z",
"structure_string": "Sr1 Pr1 Eu1 Sb1 O6\n1.0\n0.000000 -4.297961 -4.297961\n4.297961 0.000000 -4.297961\n4.297961 -4.297961 0.000000\nSr Pr Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sb\n0.732072 0.267928 0.267928 O\n0.267928 0.732072 0.732072 O\n0.732072 0.267928 0.732072 O\n0.267928 0.732072 0.267928 O\n0.732072 0.732072 0.267928 O\n0.267928 0.267928 0.732072 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-O-Pr-Sb-Sr",
"density": 6.256233975443429,
"density_atomic": 0.06297709059082551,
"volume": 158.78790058708742,
"volume_molar": 9.562430883203271,
"formula_full": "Sr1 Pr1 Eu1 Sb1 O6",
"formula_reduced": "SrPrEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -79.44134226,
"energy_per_atom": -7.944134226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.31934226,
"band_gap": 0.4518000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.588000Z",
"spacegroup": 216
},
{
"id": "mp-1522327",
"created_at": "2022-09-04T14:42:16.789945Z",
"structure_string": "Ba1 Sr1 Tb1 Nb1 O6\n1.0\n0.000000 -4.263392 -4.263392\n4.263392 0.000000 -4.263392\n4.263392 -4.263392 0.000000\nBa Sr Tb Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Nb\n0.763250 0.236750 0.236750 O\n0.236750 0.763250 0.763250 O\n0.763250 0.236750 0.763250 O\n0.236750 0.763250 0.236750 O\n0.763250 0.763250 0.236750 O\n0.236750 0.236750 0.763250 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Sr-Tb",
"density": 6.136736226810375,
"density_atomic": 0.0645214630349168,
"volume": 154.98718611802622,
"volume_molar": 9.333546507990716,
"formula_full": "Ba1 Sr1 Tb1 Nb1 O6",
"formula_reduced": "BaSrTbNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.21440476,
"energy_per_atom": -8.221440476,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.09240476,
"band_gap": 2.867,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.117000Z",
"spacegroup": 216
},
{
"id": "mp-1522331",
"created_at": "2022-09-04T14:42:13.735104Z",
"structure_string": "Ba4 Sr4 Dy4 W4 O24\n1.0\n8.432465 0.000000 0.000000\n0.000000 8.443328 0.000000\n0.000000 0.000000 8.473876\nBa Sr Dy W O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.752225 0.750463 0.750380 Dy\n0.247775 0.249537 0.750380 Dy\n0.247775 0.750463 0.249620 Dy\n0.752225 0.249537 0.249620 Dy\n0.247142 0.249493 0.250106 W\n0.752858 0.750507 0.250106 W\n0.752858 0.249493 0.749894 W\n0.247142 0.750507 0.749894 W\n0.014154 0.218823 0.281649 O\n0.985846 0.781177 0.281649 O\n0.985846 0.218823 0.718351 O\n0.014154 0.781177 0.718351 O\n0.279782 0.014429 0.218147 O\n0.279782 0.985571 0.781853 O\n0.720218 0.985571 0.218147 O\n0.720218 0.014429 0.781853 O\n0.217881 0.281714 0.013116 O\n0.782119 0.281714 0.986884 O\n0.217881 0.718286 0.986884 O\n0.782119 0.718286 0.013116 O\n0.483781 0.269923 0.226780 O\n0.516219 0.730077 0.226780 O\n0.516219 0.269923 0.773220 O\n0.483781 0.730077 0.773220 O\n0.216877 0.485577 0.276992 O\n0.216877 0.514423 0.723008 O\n0.783123 0.514423 0.276992 O\n0.783123 0.485577 0.723008 O\n0.268563 0.225254 0.487814 O\n0.731437 0.225254 0.512186 O\n0.268563 0.774746 0.512186 O\n0.731437 0.774746 0.487814 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-O-Sr-W",
"density": 7.346307402741424,
"density_atomic": 0.06629941230491787,
"volume": 603.3235983455759,
"volume_molar": 9.083249082666903,
"formula_full": "Ba4 Sr4 Dy4 W4 O24",
"formula_reduced": "BaSrDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -329.06144068000003,
"energy_per_atom": -8.226536017,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.82144068,
"band_gap": 1.8686,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.567000Z",
"spacegroup": 16
}
]
}