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=-band_gap&page=10196",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=10194",
"results": [
{
"id": "mp-12802",
"created_at": "2022-09-04T14:41:36.583202Z",
"structure_string": "Al2 Cu6\n1.0\n4.239885 0.000000 0.000000\n0.000000 4.514307 0.000000\n0.000000 0.000000 5.181486\nAl Cu\n2 6\ndirect\n0.000000 0.666566 0.000000 Al\n0.500000 0.333434 0.500000 Al\n0.000000 0.667558 0.500000 Cu\n0.500000 0.332442 0.000000 Cu\n0.000000 0.165712 0.250990 Cu\n0.000000 0.165712 0.749010 Cu\n0.500000 0.834288 0.249010 Cu\n0.500000 0.834288 0.750990 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 7.287481774664672,
"density_atomic": 0.08066599411148903,
"volume": 99.17438058152663,
"volume_molar": 7.465525995597051,
"formula_full": "Al2 Cu6",
"formula_reduced": "AlCu3",
"formula_anonymous": "AB3",
"energy": -33.60190523,
"energy_per_atom": -4.20023815375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.60190523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.424000Z",
"spacegroup": 59
},
{
"id": "mp-29802",
"created_at": "2022-09-04T14:41:36.548238Z",
"structure_string": "Sc4 Ni24 Ge24\n1.0\n5.106139 -8.844092 0.000000\n5.106139 8.844092 0.000000\n0.000000 0.000000 7.825573\nSc Ni Ge\n4 24 24\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.249697 0.000000 0.252707 Ni\n0.249697 0.249697 0.252707 Ni\n0.000000 0.750303 0.252707 Ni\n0.000000 0.249697 0.252707 Ni\n0.750303 0.750303 0.252707 Ni\n0.249697 0.000000 0.747293 Ni\n0.750303 0.750303 0.747293 Ni\n0.750303 0.000000 0.252707 Ni\n0.000000 0.249697 0.747293 Ni\n0.000000 0.750303 0.747293 Ni\n0.750303 0.000000 0.747293 Ni\n0.249697 0.249697 0.747293 Ni\n0.249942 0.499884 0.248247 Ni\n0.750058 0.249942 0.248247 Ni\n0.499884 0.249942 0.248247 Ni\n0.500116 0.750058 0.248247 Ni\n0.249942 0.750058 0.248247 Ni\n0.750058 0.500116 0.751753 Ni\n0.750058 0.249942 0.751753 Ni\n0.750058 0.500116 0.248247 Ni\n0.499884 0.249942 0.751753 Ni\n0.500116 0.750058 0.751753 Ni\n0.249942 0.499884 0.751753 Ni\n0.249942 0.750058 0.751753 Ni\n0.166140 0.332279 0.000000 Ge\n0.833860 0.166140 0.000000 Ge\n0.332279 0.166140 0.000000 Ge\n0.667721 0.833860 0.000000 Ge\n0.166140 0.833860 0.000000 Ge\n0.833860 0.667721 0.000000 Ge\n0.167720 0.335440 0.500000 Ge\n0.832280 0.167720 0.500000 Ge\n0.335440 0.167720 0.500000 Ge\n0.664560 0.832280 0.500000 Ge\n0.167720 0.832280 0.500000 Ge\n0.832280 0.664560 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.342052 Ge\n0.000000 0.000000 0.657948 Ge\n0.500000 0.000000 0.159618 Ge\n0.500000 0.500000 0.159618 Ge\n0.000000 0.500000 0.159618 Ge\n0.500000 0.000000 0.840382 Ge\n0.500000 0.500000 0.840382 Ge\n0.000000 0.500000 0.840382 Ge\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Sc",
"density": 7.827792141388608,
"density_atomic": 0.07357178892628524,
"volume": 706.7926546152228,
"volume_molar": 8.185393950436415,
"formula_full": "Sc4 Ni24 Ge24",
"formula_reduced": "Sc(NiGe)6",
"formula_anonymous": "AB6C6",
"energy": -295.7295685,
"energy_per_atom": -5.687107086538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -295.7295685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.684000Z",
"spacegroup": 191
},
{
"id": "mp-1220407",
"created_at": "2022-09-04T14:41:36.618916Z",
"structure_string": "Nb1 V1 C1 N1\n1.0\n5.072677 -1.535277 0.000000\n5.072677 1.535277 0.000000\n4.608016 0.000000 2.618265\nNb V C N\n1 1 1 1\ndirect\n0.745680 0.745680 0.745680 Nb\n0.258457 0.258457 0.258457 V\n0.992759 0.992759 0.992759 C\n0.503104 0.503104 0.503104 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Nb",
"V",
"C",
"N"
],
"chemical_system": "C-N-Nb-V",
"density": 6.916496592681831,
"density_atomic": 0.09808270662865172,
"volume": 40.7819088347989,
"volume_molar": 6.139859886616164,
"formula_full": "Nb1 V1 C1 N1",
"formula_reduced": "NbVCN",
"formula_anonymous": "ABCD",
"energy": -39.8014876,
"energy_per_atom": -9.9503719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.4404876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.351000Z",
"spacegroup": 160
},
{
"id": "mp-1009491",
"created_at": "2022-09-04T14:41:36.559085Z",
"structure_string": "Rb1 Te1\n1.0\n0.000000 4.201657 4.201657\n4.201657 0.000000 4.201657\n4.201657 4.201657 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 2.3849272459738864,
"density_atomic": 0.013481499863026901,
"volume": 148.35144607945386,
"volume_molar": 44.66966451200106,
"formula_full": "Rb1 Te1",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy": -5.020536219999999,
"energy_per_atom": -2.5102681099999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.59853622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.329000Z",
"spacegroup": 216
},
{
"id": "mp-10480",
"created_at": "2022-09-04T14:41:47.807181Z",
"structure_string": "Cs4 Ag20 Se12\n1.0\n14.340910 0.000000 0.000000\n0.000000 14.340910 0.000000\n0.000000 0.000000 4.472409\nCs Ag Se\n4 20 12\ndirect\n0.614745 0.614745 0.000000 Cs\n0.114745 0.885255 0.500000 Cs\n0.885255 0.114745 0.500000 Cs\n0.385255 0.385255 0.000000 Cs\n0.174709 0.174709 0.500000 Ag\n0.674709 0.325291 0.000000 Ag\n0.325291 0.674709 0.000000 Ag\n0.825291 0.825291 0.500000 Ag\n0.483210 0.108212 0.000000 Ag\n0.608212 0.016790 0.500000 Ag\n0.391788 0.983210 0.500000 Ag\n0.516790 0.891788 0.000000 Ag\n0.016790 0.608212 0.500000 Ag\n0.983210 0.391788 0.500000 Ag\n0.108212 0.483210 0.000000 Ag\n0.891788 0.516790 0.000000 Ag\n0.282241 0.075518 0.000000 Ag\n0.575518 0.217759 0.500000 Ag\n0.424482 0.782241 0.500000 Ag\n0.717759 0.924482 0.000000 Ag\n0.217759 0.575518 0.500000 Ag\n0.782241 0.424482 0.500000 Ag\n0.075518 0.282241 0.000000 Ag\n0.924482 0.717759 0.000000 Ag\n0.899530 0.899530 0.000000 Se\n0.399530 0.600470 0.500000 Se\n0.600470 0.399530 0.500000 Se\n0.100470 0.100470 0.000000 Se\n0.382601 0.169320 0.500000 Se\n0.669320 0.117399 0.000000 Se\n0.330680 0.882601 0.000000 Se\n0.617399 0.830680 0.500000 Se\n0.117399 0.669320 0.000000 Se\n0.882601 0.330680 0.000000 Se\n0.169320 0.382601 0.500000 Se\n0.830680 0.617399 0.500000 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Se"
],
"chemical_system": "Ag-Cs-Se",
"density": 6.565056221432243,
"density_atomic": 0.03913880553627443,
"volume": 919.8032363720109,
"volume_molar": 15.386623780377226,
"formula_full": "Cs4 Ag20 Se12",
"formula_reduced": "CsAg5Se3",
"formula_anonymous": "AB3C5",
"energy": -119.38805837,
"energy_per_atom": -3.316334954722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.72405837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018171,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.547000Z",
"spacegroup": 136
},
{
"id": "mp-1120",
"created_at": "2022-09-04T14:41:36.553811Z",
"structure_string": "Mo6 Ir2\n1.0\n5.002782 0.000000 0.000000\n0.000000 5.002782 0.000000\n0.000000 0.000000 5.002782\nMo Ir\n6 2\ndirect\n0.500000 0.250000 0.000000 Mo\n0.500000 0.750000 0.000000 Mo\n0.250000 0.000000 0.500000 Mo\n0.750000 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 12.732657890506024,
"density_atomic": 0.06389328996894003,
"volume": 125.20876611439135,
"volume_molar": 9.425310174084787,
"formula_full": "Mo6 Ir2",
"formula_reduced": "Mo3Ir",
"formula_anonymous": "AB3",
"energy": -83.54743211,
"energy_per_atom": -10.44342901375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.54743211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0354976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.469000Z",
"spacegroup": 223
},
{
"id": "mp-1016280",
"created_at": "2022-09-04T14:41:47.812032Z",
"structure_string": "Sr2 Mg12 Cr2\n1.0\n5.256524 0.000000 0.000000\n0.000000 6.631111 0.000000\n0.000000 0.000000 11.604274\nSr Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.166540 Sr\n0.500000 0.500000 0.666540 Sr\n0.500000 0.245220 0.418285 Mg\n0.500000 0.754780 0.418285 Mg\n0.000000 0.730939 0.081276 Mg\n0.000000 0.269061 0.081276 Mg\n0.000000 0.000000 0.340985 Mg\n0.000000 0.500000 0.328631 Mg\n0.500000 0.745220 0.918285 Mg\n0.500000 0.254780 0.918285 Mg\n0.000000 0.230939 0.581276 Mg\n0.000000 0.769061 0.581276 Mg\n0.000000 0.500000 0.840985 Mg\n0.000000 0.000000 0.828631 Mg\n0.500000 0.500000 0.164718 Cr\n0.500000 0.000000 0.664718 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cr"
],
"chemical_system": "Cr-Mg-Sr",
"density": 2.343690624049303,
"density_atomic": 0.03955642719461125,
"volume": 404.4854688539634,
"volume_molar": 15.224177680082272,
"formula_full": "Sr2 Mg12 Cr2",
"formula_reduced": "SrMg6Cr",
"formula_anonymous": "ABC6",
"energy": -38.22965828,
"energy_per_atom": -2.3893536425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.22965828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.969261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.058000Z",
"spacegroup": 38
},
{
"id": "mp-3546",
"created_at": "2022-09-04T14:41:36.867980Z",
"structure_string": "Tb1 Al8 Fe4\n1.0\n-4.353924 4.353924 2.512081\n4.353924 -4.353924 2.512081\n4.353924 4.353924 -2.512081\nTb Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.659416 0.000000 0.659416 Al\n0.000000 0.659416 0.659416 Al\n0.000000 0.340584 0.340584 Al\n0.340584 0.000000 0.340584 Al\n0.721178 0.500000 0.221178 Al\n0.500000 0.721178 0.221178 Al\n0.500000 0.278822 0.778822 Al\n0.278822 0.500000 0.778822 Al\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Tb",
"density": 5.214461284296059,
"density_atomic": 0.06824770226981022,
"volume": 190.48260333521333,
"volume_molar": 8.823946535506925,
"formula_full": "Tb1 Al8 Fe4",
"formula_reduced": "Tb(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy": -74.06531196,
"energy_per_atom": -5.6973316892307695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.06531196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4784413,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.779000Z",
"spacegroup": 139
},
{
"id": "mp-1198098",
"created_at": "2022-09-04T14:41:36.539445Z",
"structure_string": "La24 Ir8 O56\n1.0\n5.790811 0.000000 0.000000\n0.000000 8.917577 0.000000\n0.000000 6.396419 24.506259\nLa Ir O\n24 8 56\ndirect\n0.743981 0.984435 0.451288 La\n0.756019 0.984435 0.951288 La\n0.256019 0.015565 0.548712 La\n0.243981 0.015565 0.048712 La\n0.779286 0.573956 0.440097 La\n0.720714 0.573956 0.940097 La\n0.220714 0.426044 0.559903 La\n0.279286 0.426044 0.059903 La\n0.264955 0.291385 0.410795 La\n0.235045 0.291385 0.910795 La\n0.735045 0.708615 0.589205 La\n0.764955 0.708615 0.089205 La\n0.780697 0.997210 0.307624 La\n0.719303 0.997210 0.807624 La\n0.219303 0.002790 0.692376 La\n0.280697 0.002790 0.192376 La\n0.294344 0.700798 0.337769 La\n0.205656 0.700798 0.837769 La\n0.705656 0.299202 0.662231 La\n0.794344 0.299202 0.162231 La\n0.766735 0.429610 0.309397 La\n0.733265 0.429610 0.809397 La\n0.233265 0.570390 0.690603 La\n0.266735 0.570390 0.190603 La\n0.239482 0.793778 0.453809 Ir\n0.260518 0.793778 0.953809 Ir\n0.760518 0.206222 0.546191 Ir\n0.739482 0.206222 0.046191 Ir\n0.820867 0.786352 0.208969 Ir\n0.679133 0.786352 0.708969 Ir\n0.179133 0.213648 0.791031 Ir\n0.320867 0.213648 0.291031 Ir\n0.176500 0.011765 0.451454 O\n0.323500 0.011765 0.951454 O\n0.823500 0.988235 0.548546 O\n0.676500 0.988235 0.048546 O\n0.961347 0.741832 0.503552 O\n0.538653 0.741832 0.003552 O\n0.038653 0.258168 0.496448 O\n0.461347 0.258168 0.996448 O\n0.460125 0.809064 0.514647 O\n0.039875 0.809064 0.014647 O\n0.539875 0.190936 0.485353 O\n0.960125 0.190936 0.985353 O\n0.529841 0.819547 0.404817 O\n0.970159 0.819547 0.904817 O\n0.470159 0.180453 0.595183 O\n0.029841 0.180453 0.095183 O\n0.002773 0.815952 0.391798 O\n0.497227 0.815952 0.891798 O\n0.997227 0.184048 0.608202 O\n0.502773 0.184048 0.108202 O\n0.280413 0.573326 0.463625 O\n0.219587 0.573326 0.963625 O\n0.719587 0.426674 0.536375 O\n0.780413 0.426674 0.036375 O\n0.831313 0.007400 0.210106 O\n0.668687 0.007400 0.710106 O\n0.168687 0.992600 0.789894 O\n0.331313 0.992600 0.289894 O\n0.651714 0.743647 0.279566 O\n0.848286 0.743647 0.779566 O\n0.348286 0.256353 0.720434 O\n0.151714 0.256353 0.220434 O\n0.120658 0.759199 0.249187 O\n0.379342 0.759199 0.749187 O\n0.879342 0.240801 0.750813 O\n0.620658 0.240801 0.250813 O\n0.040608 0.830753 0.142330 O\n0.459392 0.830753 0.642330 O\n0.959392 0.169247 0.857670 O\n0.540608 0.169247 0.357670 O\n0.527455 0.809617 0.164392 O\n0.972545 0.809617 0.664392 O\n0.472545 0.190383 0.835608 O\n0.027455 0.190383 0.335608 O\n0.821466 0.563866 0.212285 O\n0.678534 0.563866 0.712285 O\n0.178534 0.436134 0.787715 O\n0.321466 0.436134 0.287715 O\n0.014267 0.499932 0.373939 O\n0.485733 0.499932 0.873939 O\n0.985733 0.500068 0.626061 O\n0.514267 0.500068 0.126061 O\n0.539848 0.490435 0.379833 O\n0.960152 0.490435 0.879833 O\n0.460152 0.509565 0.620167 O\n0.039848 0.509565 0.120167 O\n",
"nsites": 88,
"nelements": 3,
"elements": [
"La",
"Ir",
"O"
],
"chemical_system": "Ir-La-O",
"density": 7.5677787890082335,
"density_atomic": 0.06953755145539095,
"volume": 1265.5032879098842,
"volume_molar": 8.660271513677419,
"formula_full": "La24 Ir8 O56",
"formula_reduced": "La3IrO7",
"formula_anonymous": "AB3C7",
"energy": -735.22823047,
"energy_per_atom": -8.354866255340909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -696.75623047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.1698263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.131000Z",
"spacegroup": 14
},
{
"id": "mp-697179",
"created_at": "2022-09-04T14:41:36.537637Z",
"structure_string": "Zr2 H2\n1.0\n3.246615 0.000000 0.000000\n0.000000 3.246615 0.000000\n0.000000 0.000000 5.012715\nZr H\n2 2\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.250000 H\n0.000000 0.000000 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"H"
],
"chemical_system": "H-Zr",
"density": 5.7973008922954,
"density_atomic": 0.07570514512335184,
"volume": 52.836567362528825,
"volume_molar": 7.954731148309264,
"formula_full": "Zr2 H2",
"formula_reduced": "ZrH",
"formula_anonymous": "AB",
"energy": -25.88908536,
"energy_per_atom": -6.47227134,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.53108536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.881000Z",
"spacegroup": 131
},
{
"id": "mp-754716",
"created_at": "2022-09-04T14:41:36.532235Z",
"structure_string": "Li4 Cu2 Ni2 O8\n1.0\n-1.535724 2.455430 2.892668\n-7.090236 -4.434225 -0.000010\n1.535773 -2.455495 2.892749\nLi Cu Ni O\n4 2 2 8\ndirect\n0.500001 0.749990 0.000000 Li\n0.000000 0.250010 0.500001 Li\n0.999997 0.500161 0.999998 Li\n0.499998 0.999840 0.499999 Li\n0.999993 0.750035 0.499993 Cu\n0.499994 0.249966 0.999995 Cu\n0.499992 0.499985 0.499999 Ni\n0.000006 0.000015 0.999993 Ni\n0.000015 0.976295 0.500002 O\n0.500016 0.476143 0.000002 O\n0.999999 0.523714 0.500015 O\n0.500000 0.023850 0.000017 O\n0.999995 0.764827 0.999995 O\n0.499997 0.264840 0.499999 O\n0.999998 0.235147 0.999997 O\n0.499997 0.735182 0.499997 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Li-Ni-O",
"density": 4.743125913314453,
"density_atomic": 0.11418714625699398,
"volume": 140.1208500647681,
"volume_molar": 5.273921765630554,
"formula_full": "Li4 Cu2 Ni2 O8",
"formula_reduced": "Li2CuNiO4",
"formula_anonymous": "ABC2D4",
"energy": -90.32771793,
"energy_per_atom": -5.645482370625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.74971793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0019644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.966000Z",
"spacegroup": 119
},
{
"id": "mp-1220206",
"created_at": "2022-09-04T14:41:36.498685Z",
"structure_string": "Nd4 Te7\n1.0\n4.578079 0.000000 0.000000\n0.000000 4.578079 0.000000\n0.000000 0.000000 17.619135\nNd Te\n4 7\ndirect\n0.000000 0.000000 0.365112 Nd\n0.000000 0.000000 0.866784 Nd\n0.500000 0.500000 0.129322 Nd\n0.500000 0.500000 0.635373 Nd\n0.500000 0.000000 0.007978 Te\n0.500000 0.000000 0.497036 Te\n0.000000 0.500000 0.007978 Te\n0.000000 0.500000 0.497036 Te\n0.000000 0.000000 0.683094 Te\n0.500000 0.500000 0.305662 Te\n0.500000 0.500000 0.820726 Te\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Nd",
"Te"
],
"chemical_system": "Nd-Te",
"density": 6.61096586194624,
"density_atomic": 0.02978801313411021,
"volume": 369.2760557905057,
"volume_molar": 20.21665806607308,
"formula_full": "Nd4 Te7",
"formula_reduced": "Nd4Te7",
"formula_anonymous": "A4B7",
"energy": -56.1377155,
"energy_per_atom": -5.1034286818181815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.1837155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1979203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.880000Z",
"spacegroup": 99
}
]
}