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=decomposes_to&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=36",
"results": [
{
"id": "mp-1111116",
"created_at": "2022-09-04T14:39:33.324609Z",
"structure_string": "K2 Rb1 Nb1 F6\n1.0\n0.000000 4.734903 4.734903\n4.734903 0.000000 4.734903\n4.734903 4.734903 0.000000\nK Rb Nb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.777695 0.222305 0.222305 F\n0.222305 0.222305 0.777695 F\n0.222305 0.777695 0.777695 F\n0.222305 0.777695 0.222305 F\n0.777695 0.222305 0.777695 F\n0.777695 0.777695 0.222305 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nb",
"F"
],
"chemical_system": "F-K-Nb-Rb",
"density": 2.898316343181921,
"density_atomic": 0.0471017176902577,
"volume": 212.30648244635788,
"volume_molar": 12.785395215524364,
"formula_full": "K2 Rb1 Nb1 F6",
"formula_reduced": "K2RbNbF6",
"formula_anonymous": "ABC2D6",
"energy": -53.96816446,
"energy_per_atom": -5.396816446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.196164460000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9926083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.102000Z",
"spacegroup": 225
},
{
"id": "mp-1095749",
"created_at": "2022-09-04T14:39:33.351953Z",
"structure_string": "Zn1 Si1 Ru2\n1.0\n-4.781851 5.107675 7.290562\n4.781851 -5.107675 7.290562\n4.781851 5.107675 -7.290562\nZn Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.000000 0.228554 0.228554 Ru\n0.000000 0.771446 0.771446 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zn",
"density": 0.6892295951290208,
"density_atomic": 0.005615904286217131,
"volume": 712.2628513838858,
"volume_molar": 107.23367872881805,
"formula_full": "Zn1 Si1 Ru2",
"formula_reduced": "ZnSiRu2",
"formula_anonymous": "ABC2",
"energy": -14.88511751,
"energy_per_atom": -3.7212793775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.88511751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.807000Z",
"spacegroup": 71
},
{
"id": "mp-1522159",
"created_at": "2022-09-04T14:39:33.367157Z",
"structure_string": "Ba1 Sr1 Fe1 Bi1 O6\n1.0\n0.000000 -4.155163 -4.155163\n4.155163 -0.000000 -4.155163\n4.155163 -4.155163 0.000000\nBa Sr Fe Bi 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 Fe\n0.000000 0.000000 0.000000 Bi\n0.743951 0.256049 0.256049 O\n0.256049 0.743951 0.743951 O\n0.743951 0.256049 0.743951 O\n0.256049 0.743951 0.256049 O\n0.743951 0.743951 0.256049 O\n0.256049 0.256049 0.743951 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Fe",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Fe-O-Sr",
"density": 6.779242081675727,
"density_atomic": 0.06969567186930248,
"volume": 143.4809326288238,
"volume_molar": 8.64062372666854,
"formula_full": "Ba1 Sr1 Fe1 Bi1 O6",
"formula_reduced": "BaSrFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.75054337,
"energy_per_atom": -6.775054337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.37254337,
"band_gap": 0.0837000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.751000Z",
"spacegroup": 216
},
{
"id": "mp-1227383",
"created_at": "2022-09-04T14:39:33.369064Z",
"structure_string": "Ca2 Al1 Zn16\n1.0\n5.161628 -4.561694 0.000000\n5.161628 4.561694 0.000000\n1.130137 0.000000 6.795163\nCa Al Zn\n2 1 16\ndirect\n0.663202 0.663202 0.663202 Ca\n0.337095 0.337095 0.337095 Ca\n0.099758 0.099758 0.099758 Al\n0.348393 0.840112 0.348393 Zn\n0.348393 0.348393 0.840112 Zn\n0.840112 0.348393 0.348393 Zn\n0.651775 0.160360 0.651775 Zn\n0.651775 0.651775 0.160360 Zn\n0.160360 0.651775 0.651775 Zn\n0.297646 0.702108 0.000083 Zn\n0.000083 0.297646 0.702108 Zn\n0.702108 0.000083 0.297646 Zn\n0.000083 0.702108 0.297646 Zn\n0.297646 0.000083 0.702108 Zn\n0.702108 0.297646 0.000083 Zn\n0.999944 0.999944 0.500822 Zn\n0.500822 0.999944 0.999944 Zn\n0.999944 0.500822 0.999944 Zn\n0.898754 0.898754 0.898754 Zn\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Zn"
],
"chemical_system": "Al-Ca-Zn",
"density": 5.986766433987403,
"density_atomic": 0.05937599158946246,
"volume": 319.9946559439347,
"volume_molar": 10.142383476537608,
"formula_full": "Ca2 Al1 Zn16",
"formula_reduced": "Ca2AlZn16",
"formula_anonymous": "AB2C16",
"energy": -31.49460417,
"energy_per_atom": -1.6576107457894735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.49460417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0383512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.587000Z",
"spacegroup": 160
},
{
"id": "mp-1179959",
"created_at": "2022-09-04T14:39:33.372870Z",
"structure_string": "Pb4 O6\n1.0\n8.294176 0.000000 0.000000\n0.000000 3.411341 0.000000\n0.000000 1.256832 5.711256\nPb O\n4 6\ndirect\n0.500000 0.000000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.750000 0.639374 0.548923 Pb\n0.250000 0.360626 0.451077 Pb\n0.750000 0.058686 0.847193 O\n0.250000 0.941314 0.152807 O\n0.536176 0.407047 0.248876 O\n0.036176 0.592953 0.751124 O\n0.463824 0.592953 0.751124 O\n0.963824 0.407047 0.248876 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.503098263254575,
"density_atomic": 0.06188280514198337,
"volume": 161.5957773254798,
"volume_molar": 9.731525172756557,
"formula_full": "Pb4 O6",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy": -58.29445799,
"energy_per_atom": -5.829445799,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.17245799,
"band_gap": 0.9242,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.993000Z",
"spacegroup": 11
},
{
"id": "mp-1219589",
"created_at": "2022-09-04T14:39:33.285572Z",
"structure_string": "Rb2 Cr2 Ni2 F12\n1.0\n-3.660285 3.675758 5.235210\n3.660285 -3.675758 5.235210\n3.660285 3.675758 -5.235210\nRb Cr Ni F\n2 2 2 12\ndirect\n0.370171 0.120171 0.250000 Rb\n0.629829 0.879829 0.750000 Rb\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.316775 0.566775 0.750000 F\n0.925368 0.175368 0.750000 F\n0.329313 0.185819 0.759824 F\n0.925995 0.569489 0.740176 F\n0.329313 0.569489 0.143494 F\n0.925995 0.185819 0.356506 F\n0.683225 0.433225 0.250000 F\n0.074632 0.824632 0.250000 F\n0.670687 0.814181 0.240176 F\n0.074005 0.430511 0.259824 F\n0.670687 0.430511 0.856506 F\n0.074005 0.814181 0.643494 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Cr",
"Ni",
"F"
],
"chemical_system": "Cr-F-Ni-Rb",
"density": 3.655878661866909,
"density_atomic": 0.06388760288444571,
"volume": 281.74480160973985,
"volume_molar": 9.42614918717849,
"formula_full": "Rb2 Cr2 Ni2 F12",
"formula_reduced": "RbCrNiF6",
"formula_anonymous": "ABCD6",
"energy": -107.10321292,
"energy_per_atom": -5.950178495555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.47921292,
"band_gap": 3.228,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.421000Z",
"spacegroup": 74
},
{
"id": "mp-989514",
"created_at": "2022-09-04T14:39:33.288383Z",
"structure_string": "Cs2 Na1 Sb1 Cl6\n1.0\n0.000000 5.479864 5.479864\n5.479864 0.000000 5.479864\n5.479864 5.479864 0.000000\nCs Na Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.756538 0.243462 0.243462 Cl\n0.243462 0.243462 0.756538 Cl\n0.243462 0.756538 0.756538 Cl\n0.243462 0.756538 0.243462 Cl\n0.756538 0.243462 0.756538 Cl\n0.756538 0.756538 0.243462 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cs-Na-Sb",
"density": 3.144792737315301,
"density_atomic": 0.030385099554420883,
"volume": 329.10867980174345,
"volume_molar": 19.819387951038678,
"formula_full": "Cs2 Na1 Sb1 Cl6",
"formula_reduced": "Cs2NaSbCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.51326644,
"energy_per_atom": -3.751326644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.82926644,
"band_gap": 3.0473,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.919000Z",
"spacegroup": 225
},
{
"id": "mp-1212246",
"created_at": "2022-09-04T14:39:33.289590Z",
"structure_string": "Ho10 In8 Pt4\n1.0\n3.606838 0.000000 0.000000\n0.000000 8.159932 0.000000\n0.000000 0.000000 18.236651\nHo In Pt\n10 8 4\ndirect\n0.000000 0.116907 0.414301 Ho\n0.000000 0.883093 0.585699 Ho\n0.000000 0.383093 0.914301 Ho\n0.000000 0.616907 0.085699 Ho\n0.000000 0.243699 0.220007 Ho\n0.000000 0.756301 0.779993 Ho\n0.000000 0.256301 0.720007 Ho\n0.000000 0.743699 0.279993 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.424172 0.350366 In\n0.500000 0.575828 0.649634 In\n0.500000 0.075828 0.850366 In\n0.500000 0.924172 0.149634 In\n0.500000 0.292363 0.066711 In\n0.500000 0.707637 0.933289 In\n0.500000 0.207637 0.566711 In\n0.500000 0.792363 0.433289 In\n0.500000 0.024377 0.303153 Pt\n0.500000 0.975623 0.696847 Pt\n0.500000 0.475623 0.803153 Pt\n0.500000 0.524377 0.196847 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"In",
"Pt"
],
"chemical_system": "Ho-In-Pt",
"density": 10.358575773001355,
"density_atomic": 0.0409887257899551,
"volume": 536.7329570755144,
"volume_molar": 14.692188263817208,
"formula_full": "Ho10 In8 Pt4",
"formula_reduced": "Ho5(In2Pt)2",
"formula_anonymous": "A2B4C5",
"energy": -110.05725007,
"energy_per_atom": -5.002602275909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.05725007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0854447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.621000Z",
"spacegroup": 55
},
{
"id": "mp-1216544",
"created_at": "2022-09-04T14:39:33.298868Z",
"structure_string": "Tl1 Bi1 Se2\n1.0\n4.349680 0.000000 0.000000\n0.000000 4.349680 0.000000\n0.000000 0.000000 6.126110\nTl Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Se"
],
"chemical_system": "Bi-Se-Tl",
"density": 8.18467660717235,
"density_atomic": 0.03451124169690432,
"volume": 115.90426201207367,
"volume_molar": 17.44979451301571,
"formula_full": "Tl1 Bi1 Se2",
"formula_reduced": "TlBiSe2",
"formula_anonymous": "ABC2",
"energy": -15.317486420000002,
"energy_per_atom": -3.8293716050000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.37348642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.497000Z",
"spacegroup": 123
},
{
"id": "mp-1639712",
"created_at": "2022-09-04T14:39:33.299906Z",
"structure_string": "Ca8 Mn6 Sb2 O24\n1.0\n-5.353374 -0.015142 0.063873\n-0.095895 -7.858385 -5.432239\n0.053311 -7.879087 5.460919\nCa Mn Sb O\n8 6 2 24\ndirect\n0.990428 0.842092 0.885004 Ca\n0.992084 0.350780 0.389134 Ca\n0.009562 0.157851 0.114968 Ca\n0.007863 0.649279 0.610874 Ca\n0.512985 0.598558 0.139083 Ca\n0.512377 0.088110 0.645969 Ca\n0.487137 0.401456 0.860770 Ca\n0.487607 0.911908 0.354164 Ca\n0.499935 0.500130 0.500000 Mn\n0.000133 0.499943 0.999999 Mn\n0.999885 0.000041 0.500046 Mn\n0.505366 0.253453 0.251072 Mn\n0.494385 0.746463 0.748857 Mn\n0.500177 0.000053 0.999963 Mn\n0.997157 0.244804 0.748544 Sb\n0.002784 0.755171 0.251478 Sb\n0.708155 0.623479 0.910042 O\n0.710488 0.125521 0.417187 O\n0.291973 0.376503 0.089859 O\n0.289346 0.874529 0.582860 O\n0.309353 0.167612 0.866261 O\n0.300248 0.675236 0.385366 O\n0.690835 0.832256 0.133748 O\n0.699825 0.324766 0.614687 O\n0.084750 0.646719 0.118595 O\n0.084186 0.130814 0.611990 O\n0.915299 0.353280 0.881412 O\n0.915782 0.869262 0.387923 O\n0.788490 0.376600 0.167736 O\n0.792054 0.872593 0.660021 O\n0.211665 0.623364 0.832286 O\n0.207866 0.127513 0.339923 O\n0.201618 0.419929 0.620437 O\n0.202923 0.931927 0.129109 O\n0.798324 0.580026 0.379585 O\n0.796944 0.067968 0.871016 O\n0.418731 0.396498 0.363646 O\n0.423110 0.871681 0.859821 O\n0.581234 0.603555 0.636286 O\n0.576935 0.128281 0.140281 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Sb",
"O"
],
"chemical_system": "Ca-Mn-O-Sb",
"density": 4.623226394998914,
"density_atomic": 0.08715804701137103,
"volume": 458.9363962547419,
"volume_molar": 6.909448945332982,
"formula_full": "Ca8 Mn6 Sb2 O24",
"formula_reduced": "Ca4Mn3SbO12",
"formula_anonymous": "AB3C4D12",
"energy": -299.83744865,
"energy_per_atom": -7.49593621625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.34144865,
"band_gap": 0.7241,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0021817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.713000Z",
"spacegroup": 2
},
{
"id": "mp-1194789",
"created_at": "2022-09-04T14:39:33.306360Z",
"structure_string": "Ir4 Se12 Br36\n1.0\n13.274313 0.000000 0.000000\n0.000000 8.941998 0.000000\n0.000000 7.669921 15.507008\nIr Se Br\n4 12 36\ndirect\n0.738500 0.704541 0.871586 Ir\n0.761500 0.704541 0.371586 Ir\n0.261500 0.295459 0.128414 Ir\n0.238500 0.295459 0.628414 Ir\n0.680796 0.681807 0.740199 Se\n0.819204 0.681807 0.240199 Se\n0.319204 0.318193 0.259801 Se\n0.180796 0.318193 0.759801 Se\n0.576393 0.713270 0.927473 Se\n0.923607 0.713270 0.427473 Se\n0.423607 0.286730 0.072527 Se\n0.076393 0.286730 0.572527 Se\n0.822990 0.741554 0.986901 Se\n0.677010 0.741554 0.486901 Se\n0.177010 0.258446 0.013099 Se\n0.322990 0.258446 0.513099 Se\n0.733659 0.398962 0.984072 Br\n0.766341 0.398962 0.484072 Br\n0.266341 0.601038 0.015928 Br\n0.233659 0.601038 0.515928 Br\n0.886354 0.642071 0.796247 Br\n0.613646 0.642071 0.296247 Br\n0.113646 0.357929 0.203753 Br\n0.386354 0.357929 0.703753 Br\n0.742990 0.995959 0.752621 Br\n0.757010 0.995959 0.252621 Br\n0.257010 0.004041 0.247379 Br\n0.242990 0.004041 0.747379 Br\n0.667014 0.399069 0.763145 Br\n0.832986 0.399069 0.263145 Br\n0.332986 0.600931 0.236855 Br\n0.167014 0.600931 0.736855 Br\n0.504598 0.753172 0.720173 Br\n0.995402 0.753172 0.220173 Br\n0.495402 0.246828 0.279827 Br\n0.004598 0.246828 0.779827 Br\n0.595477 0.662105 0.076105 Br\n0.904523 0.662105 0.576105 Br\n0.404523 0.337895 0.923895 Br\n0.095477 0.337895 0.423895 Br\n0.505577 0.983848 0.866329 Br\n0.994423 0.983848 0.366329 Br\n0.494423 0.016152 0.133671 Br\n0.005577 0.016152 0.633671 Br\n0.793412 0.019123 0.966633 Br\n0.706588 0.019123 0.466633 Br\n0.206588 0.980877 0.033367 Br\n0.293412 0.980877 0.533367 Br\n0.998582 0.744803 0.964437 Br\n0.501418 0.744803 0.464437 Br\n0.001418 0.255197 0.035563 Br\n0.498582 0.255197 0.535563 Br\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Ir",
"Se",
"Br"
],
"chemical_system": "Br-Ir-Se",
"density": 4.143472682145065,
"density_atomic": 0.0282506672917692,
"volume": 1840.664486362421,
"volume_molar": 21.316808901553074,
"formula_full": "Ir4 Se12 Br36",
"formula_reduced": "Ir(SeBr3)3",
"formula_anonymous": "AB3C9",
"energy": -166.66720206,
"energy_per_atom": -3.2051385011538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.44320206,
"band_gap": 1.4533999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00264,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.041000Z",
"spacegroup": 14
},
{
"id": "mp-1223345",
"created_at": "2022-09-04T14:39:31.923002Z",
"structure_string": "K1 Na1 Nb2 O6\n1.0\n2.879296 0.000000 2.889863\n2.884903 -4.002640 -2.895499\n2.884903 4.002640 -2.895499\nK Na Nb O\n1 1 2 6\ndirect\n0.498339 0.000523 0.500523 K\n0.502668 0.498941 0.998941 Na\n0.985579 0.007617 0.008010 Nb\n0.985579 0.508010 0.507617 Nb\n0.023451 0.239371 0.739371 O\n0.024520 0.736502 0.236502 O\n0.013765 0.243213 0.237008 O\n0.013765 0.737008 0.743213 O\n0.519257 0.993070 0.992655 O\n0.519257 0.492655 0.493070 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-O",
"density": 4.278210509564782,
"density_atomic": 0.07491768966081719,
"volume": 133.47982359405452,
"volume_molar": 8.038342863033655,
"formula_full": "K1 Na1 Nb2 O6",
"formula_reduced": "KNaNb2O6",
"formula_anonymous": "ABC2D6",
"energy": -80.63119629,
"energy_per_atom": -8.063119629000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.50919629,
"band_gap": 1.941,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.774000Z",
"spacegroup": 8
}
]
}