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=58",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=56",
"results": [
{
"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-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-1520770",
"created_at": "2022-09-04T14:42:28.967136Z",
"structure_string": "Ba1 Ca1 Tb1 Nb1 O6\n1.0\n-0.000000 -4.245648 -4.245648\n4.245648 -0.000000 -4.245648\n4.245648 -4.245648 0.000000\nBa Ca Tb Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Nb\n0.763100 0.236900 0.236900 O\n0.236900 0.763100 0.763100 O\n0.763100 0.236900 0.763100 O\n0.236900 0.763100 0.236900 O\n0.763100 0.763100 0.236900 O\n0.236900 0.236900 0.763100 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tb",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Nb-O-Tb",
"density": 5.6982206207572705,
"density_atomic": 0.06533381980606127,
"volume": 153.0600848026991,
"volume_molar": 9.217493754193908,
"formula_full": "Ba1 Ca1 Tb1 Nb1 O6",
"formula_reduced": "BaCaTbNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.78844287000001,
"energy_per_atom": -8.178844287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.66644287,
"band_gap": 2.853,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.232000Z",
"spacegroup": 216
},
{
"id": "mp-1523224",
"created_at": "2022-09-04T14:42:25.589170Z",
"structure_string": "Ba4 Sr4 Nd4 W4 O24\n1.0\n8.600607 0.000000 0.000000\n0.000000 8.591579 0.000000\n0.000000 0.000000 8.555046\nBa Sr Nd 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 0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\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\n0.749399 0.747480 0.749451 Nd\n0.250601 0.252520 0.749451 Nd\n0.250601 0.747480 0.250549 Nd\n0.749399 0.252520 0.250549 Nd\n0.249662 0.253344 0.250578 W\n0.750338 0.746656 0.250578 W\n0.750338 0.253344 0.749422 W\n0.249662 0.746656 0.749422 W\n0.017236 0.225783 0.279340 O\n0.982764 0.774217 0.279340 O\n0.982764 0.225783 0.720660 O\n0.017236 0.774217 0.720660 O\n0.276625 0.020435 0.223987 O\n0.276625 0.979565 0.776013 O\n0.723375 0.979565 0.223987 O\n0.723375 0.020435 0.776013 O\n0.216842 0.288448 0.020202 O\n0.783158 0.288448 0.979798 O\n0.216842 0.711552 0.979798 O\n0.783158 0.711552 0.020202 O\n0.481220 0.288926 0.212271 O\n0.518780 0.711074 0.212271 O\n0.518780 0.288926 0.787729 O\n0.481220 0.711074 0.787729 O\n0.214103 0.481531 0.289289 O\n0.214103 0.518469 0.710711 O\n0.785897 0.518469 0.289289 O\n0.785897 0.481531 0.710711 O\n0.288621 0.215253 0.479464 O\n0.711379 0.215253 0.520536 O\n0.288621 0.784747 0.520536 O\n0.711379 0.784747 0.479464 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nd",
"W",
"O"
],
"chemical_system": "Ba-Nd-O-Sr-W",
"density": 6.819402777890077,
"density_atomic": 0.06327549498337211,
"volume": 632.1562559172619,
"volume_molar": 9.517334888620836,
"formula_full": "Ba4 Sr4 Nd4 W4 O24",
"formula_reduced": "BaSrNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -326.12521608000003,
"energy_per_atom": -8.153130402,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -291.88521608,
"band_gap": 1.8901,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.238000Z",
"spacegroup": 16
},
{
"id": "mp-1518125",
"created_at": "2022-09-04T14:40:56.591586Z",
"structure_string": "Na1 Ca1 Zr1 Nb1 O6\n1.0\n0.000000 -4.090086 -4.090086\n4.090086 0.000000 -4.090086\n4.090086 -4.090086 0.000000\nNa Ca Zr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.755467 0.244533 0.244533 O\n0.244533 0.755467 0.755467 O\n0.755467 0.244533 0.755467 O\n0.244533 0.755467 0.244533 O\n0.755467 0.755467 0.244533 O\n0.244533 0.244533 0.755467 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Zr",
"Nb",
"O"
],
"chemical_system": "Ca-Na-Nb-O-Zr",
"density": 4.1644932654488365,
"density_atomic": 0.07307564965669247,
"volume": 136.84448988109915,
"volume_molar": 8.240967802943748,
"formula_full": "Na1 Ca1 Zr1 Nb1 O6",
"formula_reduced": "NaCaZrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -83.2781832,
"energy_per_atom": -8.32781832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.1561832,
"band_gap": 2.284,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.449000Z",
"spacegroup": 216
},
{
"id": "mp-1043786",
"created_at": "2022-09-04T14:42:09.581641Z",
"structure_string": "La4 Mg4 Ti4 Fe4 O24\n1.0\n0.000015 5.371725 -0.002419\n-5.532604 -0.002606 7.717181\n5.532675 -0.002574 7.717232\nLa Mg Ti Fe O\n4 4 4 4 24\ndirect\n0.992465 0.107436 0.143316 La\n0.992465 0.607434 0.643318 La\n0.492469 0.143303 0.607439 La\n0.492464 0.643304 0.107444 La\n0.526023 0.850782 0.401592 Mg\n0.526023 0.350782 0.901592 Mg\n0.026019 0.901591 0.850781 Mg\n0.026019 0.401591 0.350781 Mg\n0.001568 0.996414 0.502220 Ti\n0.001571 0.496412 0.002224 Ti\n0.501568 0.002219 0.996412 Ti\n0.501568 0.502220 0.496408 Ti\n0.000823 0.251842 0.749728 Fe\n0.500806 0.749722 0.751833 Fe\n0.000823 0.751836 0.249735 Fe\n0.500806 0.249724 0.251829 Fe\n0.631903 0.367046 0.387809 O\n0.631903 0.867045 0.887809 O\n0.131900 0.887796 0.367045 O\n0.131903 0.387795 0.867046 O\n0.196091 0.374256 0.567883 O\n0.196091 0.874255 0.067884 O\n0.696099 0.067882 0.374260 O\n0.696100 0.567882 0.874260 O\n0.186495 0.179222 0.380495 O\n0.186496 0.679222 0.880496 O\n0.686493 0.880496 0.179213 O\n0.686491 0.380495 0.679213 O\n0.919738 0.101199 0.644148 O\n0.919740 0.601201 0.144148 O\n0.419740 0.644161 0.601197 O\n0.419743 0.144162 0.101198 O\n0.270204 0.913627 0.638348 O\n0.270204 0.413629 0.138344 O\n0.770200 0.638361 0.413628 O\n0.770201 0.138359 0.913629 O\n0.274694 0.106045 0.836606 O\n0.274691 0.606044 0.336607 O\n0.774696 0.836605 0.606040 O\n0.774700 0.336604 0.106041 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"La",
"Mg",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mg-O-Ti",
"density": 5.2551176457902695,
"density_atomic": 0.08720146787695382,
"volume": 458.70787469360323,
"volume_molar": 6.906008472813302,
"formula_full": "La4 Mg4 Ti4 Fe4 O24",
"formula_reduced": "LaMgTiFeO6",
"formula_anonymous": "ABCDE6",
"energy": -331.60912844,
"energy_per_atom": -8.290228211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.09712844,
"band_gap": 2.0177,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.816000Z",
"spacegroup": 7
},
{
"id": "mp-1173567",
"created_at": "2022-09-04T14:41:36.955286Z",
"structure_string": "Na2 La2 Mg2 W2 O12\n1.0\n5.610025 0.000000 0.047414\n0.000000 5.605513 0.000000\n-0.075046 0.000000 7.958587\nNa La Mg W O\n2 2 2 2 12\ndirect\n0.263424 0.750000 0.998019 Na\n0.736576 0.250000 0.001981 Na\n0.249294 0.750000 0.501751 La\n0.750706 0.250000 0.498249 La\n0.248046 0.250000 0.242895 Mg\n0.751954 0.750000 0.757105 Mg\n0.249755 0.250000 0.762475 W\n0.750245 0.750000 0.237525 W\n0.169525 0.250000 0.989496 O\n0.323973 0.250000 0.506016 O\n0.485523 0.004121 0.775435 O\n0.485523 0.495879 0.775435 O\n0.994279 0.990529 0.303185 O\n0.994279 0.509471 0.303185 O\n0.005721 0.490529 0.696815 O\n0.005721 0.009471 0.696815 O\n0.514477 0.504121 0.224565 O\n0.514477 0.995879 0.224565 O\n0.676027 0.750000 0.493984 O\n0.830475 0.750000 0.010504 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"La",
"Mg",
"W",
"O"
],
"chemical_system": "La-Mg-Na-O-W",
"density": 6.18370006191409,
"density_atomic": 0.07990597533461899,
"volume": 250.29417282308134,
"volume_molar": 7.5365337007418125,
"formula_full": "Na2 La2 Mg2 W2 O12",
"formula_reduced": "NaLaMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -158.95651852,
"energy_per_atom": -7.947825926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.83651852,
"band_gap": 3.5197000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.914000Z",
"spacegroup": 11
},
{
"id": "mp-1516392",
"created_at": "2022-09-04T14:43:38.861142Z",
"structure_string": "K1 La1 Y1 Sb1 O6\n1.0\n-0.000000 -4.184080 -4.184080\n4.184080 -0.000000 -4.184080\n4.184080 -4.184080 0.000000\nK La Y Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Y\n-0.000000 -0.000000 -0.000000 Sb\n0.762760 0.237240 0.237240 O\n0.237240 0.762760 0.762760 O\n0.762760 0.237240 0.762760 O\n0.237240 0.762760 0.237240 O\n0.762760 0.762760 0.237240 O\n0.237240 0.237240 0.762760 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Y",
"Sb",
"O"
],
"chemical_system": "K-La-O-Sb-Y",
"density": 5.493659461628289,
"density_atomic": 0.06826059433022426,
"volume": 146.49740597954658,
"volume_molar": 8.822279997836953,
"formula_full": "K1 La1 Y1 Sb1 O6",
"formula_reduced": "KLaYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -75.12644381,
"energy_per_atom": -7.512644380999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.00444381,
"band_gap": 2.4149000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.879000Z",
"spacegroup": 216
},
{
"id": "mp-1518158",
"created_at": "2022-09-04T14:46:08.157509Z",
"structure_string": "Ca1 Eu1 Nb1 W1 O6\n1.0\n-0.000000 -4.102038 -4.102038\n4.102038 -0.000000 -4.102038\n4.102038 -4.102038 -0.000000\nCa Eu Nb W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 W\n0.755928 0.244072 0.244072 O\n0.244072 0.755928 0.755928 O\n0.755928 0.244072 0.755928 O\n0.244072 0.755928 0.244072 O\n0.755928 0.755928 0.244072 O\n0.244072 0.244072 0.755928 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Nb",
"W",
"O"
],
"chemical_system": "Ca-Eu-Nb-O-W",
"density": 6.793648123056043,
"density_atomic": 0.07243875319213049,
"volume": 138.04765487165187,
"volume_molar": 8.313424092249873,
"formula_full": "Ca1 Eu1 Nb1 W1 O6",
"formula_reduced": "CaEuNbWO6",
"formula_anonymous": "ABCDE6",
"energy": -92.89103736,
"energy_per_atom": -9.289103736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.33103736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.984314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.501000Z",
"spacegroup": 216
},
{
"id": "mp-1520375",
"created_at": "2022-09-04T14:43:39.771107Z",
"structure_string": "Ba1 Sr1 Pr1 Ni1 O6\n1.0\n-0.000000 -4.185069 -4.185069\n4.185069 -0.000000 -4.185069\n4.185069 -4.185069 0.000000\nBa Sr Pr Ni 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 Pr\n0.000000 -0.000000 0.000000 Ni\n0.775684 0.224316 0.224316 O\n0.224316 0.775684 0.775684 O\n0.775684 0.224316 0.775684 O\n0.224316 0.775684 0.224316 O\n0.775684 0.775684 0.224316 O\n0.224316 0.224316 0.775684 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Pr-Sr",
"density": 5.896157203621504,
"density_atomic": 0.06821221249322186,
"volume": 146.6013142586994,
"volume_molar": 8.828537500668828,
"formula_full": "Ba1 Sr1 Pr1 Ni1 O6",
"formula_reduced": "BaSrPrNiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.17378341,
"energy_per_atom": -6.717378341,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.51078341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.733000Z",
"spacegroup": 216
},
{
"id": "mp-1520366",
"created_at": "2022-09-04T14:43:24.237933Z",
"structure_string": "Ba2 Sr2 Nb2 Sb2 O12\n1.0\n6.007623 0.015102 0.012936\n0.016514 5.990499 -0.016822\n0.019427 -0.022864 8.485559\nBa Sr Nb Sb O\n2 2 2 2 12\ndirect\n0.996277 0.019843 0.250391 Ba\n0.003723 0.980157 0.749609 Ba\n0.502834 0.525865 0.251399 Sr\n0.497166 0.474135 0.748601 Sr\n-0.000000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 0.000000 -0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.203885 0.235362 0.965064 O\n0.304681 0.727504 0.536980 O\n0.796115 0.764638 0.034936 O\n0.695319 0.272496 0.463020 O\n0.267097 0.699589 0.959598 O\n0.237805 0.207349 0.531178 O\n0.732903 0.300411 0.040402 O\n0.762195 0.792651 0.468822 O\n0.441665 0.976358 0.265912 O\n0.078443 0.495209 0.233196 O\n0.558335 0.023642 0.734088 O\n0.921557 0.504791 0.766804 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nb",
"Sb",
"O"
],
"chemical_system": "Ba-Nb-O-Sb-Sr",
"density": 5.824919306661282,
"density_atomic": 0.06549261291023889,
"volume": 305.3779519746916,
"volume_molar": 9.195145058960565,
"formula_full": "Ba2 Sr2 Nb2 Sb2 O12",
"formula_reduced": "BaSrNbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -151.27116732,
"energy_per_atom": -7.563558366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.02716732,
"band_gap": 1.1307,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.490000Z",
"spacegroup": 2
},
{
"id": "mp-1519867",
"created_at": "2022-09-04T14:43:24.220203Z",
"structure_string": "Na1 Pr1 Dy1 Sb1 O6\n1.0\n0.000000 -4.155954 -4.155954\n4.155954 0.000000 -4.155954\n4.155954 -4.155954 0.000000\nNa Pr Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737735 0.262265 0.262265 O\n0.262265 0.737735 0.737735 O\n0.737735 0.262265 0.737735 O\n0.262265 0.737735 0.262265 O\n0.737735 0.737735 0.262265 O\n0.262265 0.262265 0.737735 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Dy",
"Sb",
"O"
],
"chemical_system": "Dy-Na-O-Pr-Sb",
"density": 6.294026798403018,
"density_atomic": 0.06965588404845895,
"volume": 143.56288972002844,
"volume_molar": 8.645559298063684,
"formula_full": "Na1 Pr1 Dy1 Sb1 O6",
"formula_reduced": "NaPrDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.55227039,
"energy_per_atom": -7.255227039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.43027039,
"band_gap": 3.3035,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.734000Z",
"spacegroup": 216
}
]
}