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=is_gap_direct&page=1715",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=1713",
"results": [
{
"id": "mp-1203035",
"created_at": "2022-09-04T14:40:59.280539Z",
"structure_string": "Lu4 Zn34\n1.0\n0.000000 0.000000 8.649944\n8.954911 0.000000 0.000000\n4.477456 7.795518 0.000000\nLu Zn\n4 34\ndirect\n0.250000 0.999431 0.001138 Lu\n0.750000 0.000569 0.998862 Lu\n0.750000 0.666193 0.667614 Lu\n0.250000 0.333807 0.332386 Lu\n0.402645 0.666794 0.666412 Zn\n0.597355 0.333206 0.333588 Zn\n0.902645 0.333206 0.333588 Zn\n0.097355 0.666794 0.666412 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.250000 0.971263 0.359373 Zn\n0.250000 0.669778 0.971109 Zn\n0.250000 0.358581 0.669616 Zn\n0.250000 0.971803 0.669616 Zn\n0.250000 0.669364 0.359373 Zn\n0.250000 0.359113 0.971109 Zn\n0.750000 0.028737 0.640627 Zn\n0.750000 0.330222 0.028891 Zn\n0.750000 0.641419 0.330384 Zn\n0.750000 0.028197 0.330384 Zn\n0.750000 0.330636 0.640627 Zn\n0.750000 0.640887 0.028891 Zn\n0.515573 0.323654 0.838128 Zn\n0.515745 0.838012 0.323976 Zn\n0.515573 0.838217 0.838128 Zn\n0.484427 0.676346 0.161872 Zn\n0.484255 0.161988 0.676024 Zn\n0.484427 0.161783 0.161872 Zn\n0.015573 0.676346 0.161872 Zn\n0.015745 0.161988 0.676024 Zn\n0.015573 0.161783 0.161872 Zn\n0.984427 0.323654 0.838128 Zn\n0.984255 0.838012 0.323976 Zn\n0.984427 0.838217 0.838128 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.040320279021055,
"density_atomic": 0.0629309152730083,
"volume": 603.8367602814538,
"volume_molar": 9.569447280203402,
"formula_full": "Lu4 Zn34",
"formula_reduced": "Lu2Zn17",
"formula_anonymous": "A2B17",
"energy": -68.62908791,
"energy_per_atom": -1.806028629210526,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.62908791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0764266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.650000Z",
"spacegroup": 194
},
{
"id": "mp-774787",
"created_at": "2022-09-04T14:40:59.279148Z",
"structure_string": "Li4 Mn3 Sn2 Sb3 O16\n1.0\n3.139884 5.532042 0.000000\n-3.139884 5.532042 0.000000\n0.000000 0.268894 9.999976\nLi Mn Sn Sb O\n4 3 2 3 16\ndirect\n0.656074 0.656074 0.111001 Li\n0.994090 0.994090 0.016909 Li\n0.996264 0.996264 0.499790 Li\n0.318839 0.318839 0.592118 Li\n0.831612 0.831612 0.786333 Mn\n0.174257 0.663716 0.289085 Mn\n0.663716 0.174257 0.289085 Mn\n0.677776 0.677776 0.499254 Sn\n0.344967 0.344967 0.021169 Sn\n0.338376 0.831292 0.784722 Sb\n0.831292 0.338376 0.784722 Sb\n0.173081 0.173081 0.284713 Sb\n0.331815 0.852596 0.405407 O\n0.517961 0.517961 0.663137 O\n0.656055 0.656055 0.894739 O\n0.008212 0.008212 0.685940 O\n0.016038 0.016038 0.196937 O\n0.852596 0.331815 0.405407 O\n0.504159 0.956560 0.659158 O\n0.956560 0.504159 0.659158 O\n0.160122 0.160122 0.893897 O\n0.841993 0.841993 0.412569 O\n0.032701 0.466430 0.153529 O\n0.466430 0.032701 0.153529 O\n0.318407 0.318407 0.396534 O\n0.173741 0.680228 0.900851 O\n0.481444 0.481444 0.151616 O\n0.680228 0.173741 0.900851 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb-Sn",
"density": 5.024984628886875,
"density_atomic": 0.08059906533287621,
"volume": 347.3985695039921,
"volume_molar": 7.471725304913156,
"formula_full": "Li4 Mn3 Sn2 Sb3 O16",
"formula_reduced": "Li4Mn3Sn2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -192.00081158,
"energy_per_atom": -6.857171842142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.00481158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9080378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.373000Z",
"spacegroup": 8
},
{
"id": "mp-15695",
"created_at": "2022-09-04T14:40:59.283698Z",
"structure_string": "Y4 As4 Pt4\n1.0\n2.153414 -3.729822 0.000000\n2.153414 3.729822 0.000000\n0.000000 0.000000 15.360998\nY As Pt\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.883356 As\n0.666667 0.333333 0.383356 As\n0.666667 0.333333 0.116644 As\n0.333333 0.666667 0.616644 As\n0.333333 0.666667 0.365038 Pt\n0.666667 0.333333 0.865038 Pt\n0.666667 0.333333 0.634962 Pt\n0.333333 0.666667 0.134962 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"As",
"Pt"
],
"chemical_system": "As-Pt-Y",
"density": 9.661205845685851,
"density_atomic": 0.04863133360679453,
"volume": 246.75449160052273,
"volume_molar": 12.383252346504879,
"formula_full": "Y4 As4 Pt4",
"formula_reduced": "YAsPt",
"formula_anonymous": "ABC",
"energy": -83.27051107,
"energy_per_atom": -6.939209255833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.27051107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.435000Z",
"spacegroup": 194
},
{
"id": "mp-1074123",
"created_at": "2022-09-04T14:40:59.287076Z",
"structure_string": "Mg8 Si14\n1.0\n3.915222 0.000000 0.000000\n0.359736 7.159261 0.000000\n0.154779 2.248822 13.990962\nMg Si\n8 14\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.996187 0.262567 0.659954 Mg\n0.003813 0.737433 0.340046 Mg\n0.530832 0.799155 0.154357 Mg\n0.469168 0.200845 0.845643 Mg\n0.006190 0.787374 0.578800 Mg\n0.993810 0.212626 0.421200 Mg\n0.443182 0.253054 0.049818 Si\n0.556818 0.746946 0.950182 Si\n0.916446 0.386459 0.953084 Si\n0.083554 0.613541 0.046916 Si\n0.499398 0.891255 0.443132 Si\n0.500602 0.108745 0.556868 Si\n0.012745 0.903000 0.815164 Si\n0.987255 0.097000 0.184836 Si\n0.493713 0.450572 0.305189 Si\n0.506287 0.549428 0.694811 Si\n0.994463 0.563055 0.797470 Si\n0.005537 0.436945 0.202530 Si\n0.484553 0.087702 0.290568 Si\n0.515447 0.912298 0.709432 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.48820446758053,
"density_atomic": 0.056098405319848735,
"volume": 392.168010383995,
"volume_molar": 10.734958909552544,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -84.97807918,
"energy_per_atom": -3.8626399627272723,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.97207918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.469000Z",
"spacegroup": 2
},
{
"id": "mp-777679",
"created_at": "2022-09-04T14:40:59.290011Z",
"structure_string": "Li4 Fe4 F16\n1.0\n3.968473 0.000000 0.000000\n0.000000 6.569171 0.000000\n0.000000 4.078715 11.708837\nLi Fe F\n4 4 16\ndirect\n0.009432 0.645671 0.891183 Li\n0.490568 0.645671 0.391183 Li\n0.509432 0.354329 0.608817 Li\n0.990568 0.354329 0.108817 Li\n0.251937 0.849806 0.612790 Fe\n0.248063 0.849806 0.112790 Fe\n0.751937 0.150194 0.887210 Fe\n0.748063 0.150194 0.387210 Fe\n0.256264 0.101431 0.651031 F\n0.243736 0.101431 0.151031 F\n0.756408 0.903566 0.571060 F\n0.743592 0.903566 0.071060 F\n0.251072 0.653595 0.759091 F\n0.291324 0.635192 0.538242 F\n0.248928 0.653595 0.259091 F\n0.791324 0.364808 0.961758 F\n0.208676 0.635192 0.038242 F\n0.751072 0.346405 0.740909 F\n0.708676 0.364808 0.461758 F\n0.748928 0.346405 0.240909 F\n0.256408 0.096434 0.928940 F\n0.243592 0.096434 0.428940 F\n0.756264 0.898569 0.848969 F\n0.743736 0.898569 0.348969 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.019861345948763,
"density_atomic": 0.07862551165989941,
"volume": 305.24443648537147,
"volume_molar": 7.659270678007444,
"formula_full": "Li4 Fe4 F16",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy": -138.41226969000002,
"energy_per_atom": -5.76717790375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.99626969,
"band_gap": 3.1684,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9998501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.975000Z",
"spacegroup": 14
},
{
"id": "mp-16735",
"created_at": "2022-09-04T14:40:59.294595Z",
"structure_string": "Cr1 In1 Co2\n1.0\n0.000000 2.989245 2.989245\n2.989245 0.000000 2.989245\n2.989245 2.989245 0.000000\nCr In Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"In",
"Co"
],
"chemical_system": "Co-Cr-In",
"density": 8.848960815969404,
"density_atomic": 0.07487648715499681,
"volume": 53.421309572387756,
"volume_molar": 8.042766145711362,
"formula_full": "Cr1 In1 Co2",
"formula_reduced": "CrInCo2",
"formula_anonymous": "ABC2",
"energy": -25.82672056,
"energy_per_atom": -6.45668014,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.82672056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.115169,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.817000Z",
"spacegroup": 225
},
{
"id": "mp-1208511",
"created_at": "2022-09-04T14:40:59.283684Z",
"structure_string": "Sr4 Yb2 Bi2 O12\n1.0\n4.894150 0.000000 -3.389467\n0.000000 6.131825 0.000000\n4.916238 0.000000 6.911874\nSr Yb Bi O\n4 2 2 12\ndirect\n0.015452 0.448843 0.254799 Sr\n0.984548 0.551157 0.745201 Sr\n0.484548 0.948843 0.245201 Sr\n0.515452 0.051157 0.754799 Sr\n0.000000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.899440 0.040967 0.241317 O\n0.100560 0.959033 0.758683 O\n0.600560 0.540967 0.258683 O\n0.399440 0.459033 0.741317 O\n0.194968 0.718849 0.058560 O\n0.805032 0.281151 0.941440 O\n0.305032 0.218849 0.441440 O\n0.694968 0.781151 0.558560 O\n0.287227 0.196527 0.046076 O\n0.712773 0.803473 0.953924 O\n0.212773 0.696527 0.453924 O\n0.787227 0.303473 0.546076 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Yb",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr-Yb",
"density": 7.007414484226541,
"density_atomic": 0.06459884750110266,
"volume": 309.60304670541706,
"volume_molar": 9.32236563492438,
"formula_full": "Sr4 Yb2 Bi2 O12",
"formula_reduced": "Sr2YbBiO6",
"formula_anonymous": "ABC2D6",
"energy": -127.89688329,
"energy_per_atom": -6.3948441645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.65288329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0024094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.135000Z",
"spacegroup": 14
},
{
"id": "mp-29561",
"created_at": "2022-09-04T14:40:59.316496Z",
"structure_string": "Ca20 Sn20 Au20\n1.0\n4.781951 0.000000 0.000000\n0.000000 8.276960 0.000000\n0.000000 0.000000 37.312821\nCa Sn Au\n20 20 20\ndirect\n0.250000 0.716307 0.999182 Ca\n0.750000 0.283693 0.000818 Ca\n0.750000 0.216307 0.500818 Ca\n0.250000 0.783693 0.499182 Ca\n0.250000 0.791787 0.100223 Ca\n0.750000 0.208213 0.899777 Ca\n0.750000 0.291787 0.399777 Ca\n0.250000 0.708213 0.600223 Ca\n0.250000 0.712578 0.201201 Ca\n0.750000 0.287422 0.798799 Ca\n0.750000 0.212578 0.298799 Ca\n0.250000 0.787422 0.701201 Ca\n0.250000 0.789950 0.300705 Ca\n0.750000 0.210050 0.699295 Ca\n0.750000 0.289950 0.199295 Ca\n0.250000 0.710050 0.800705 Ca\n0.250000 0.710325 0.400004 Ca\n0.750000 0.289675 0.599996 Ca\n0.750000 0.210325 0.099996 Ca\n0.250000 0.789675 0.900004 Ca\n0.250000 0.415100 0.059408 Sn\n0.750000 0.584900 0.940592 Sn\n0.750000 0.915100 0.440592 Sn\n0.250000 0.084900 0.559408 Sn\n0.250000 0.415767 0.140158 Sn\n0.750000 0.584233 0.859842 Sn\n0.750000 0.915767 0.359842 Sn\n0.250000 0.084233 0.640158 Sn\n0.250000 0.088203 0.239748 Sn\n0.750000 0.911797 0.760252 Sn\n0.750000 0.588203 0.260252 Sn\n0.250000 0.411797 0.739748 Sn\n0.250000 0.415513 0.340605 Sn\n0.750000 0.584487 0.659395 Sn\n0.750000 0.915513 0.159395 Sn\n0.250000 0.084487 0.840605 Sn\n0.250000 0.414109 0.458838 Sn\n0.750000 0.585891 0.541162 Sn\n0.750000 0.914109 0.041162 Sn\n0.250000 0.085891 0.958838 Sn\n0.250000 0.086207 0.040303 Au\n0.750000 0.913793 0.959697 Au\n0.750000 0.586207 0.459697 Au\n0.250000 0.413793 0.540303 Au\n0.250000 0.087239 0.159826 Au\n0.750000 0.912761 0.840174 Au\n0.750000 0.587239 0.340174 Au\n0.250000 0.412761 0.659826 Au\n0.250000 0.415886 0.258615 Au\n0.750000 0.584114 0.741385 Au\n0.750000 0.915886 0.241385 Au\n0.250000 0.084114 0.758615 Au\n0.250000 0.087365 0.355560 Au\n0.750000 0.912635 0.644440 Au\n0.750000 0.587365 0.144440 Au\n0.250000 0.412635 0.855560 Au\n0.250000 0.085617 0.444440 Au\n0.750000 0.914383 0.555560 Au\n0.750000 0.585617 0.055560 Au\n0.250000 0.414383 0.944440 Au\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Au"
],
"chemical_system": "Au-Ca-Sn",
"density": 8.000101864966343,
"density_atomic": 0.040627227650713624,
"volume": 1476.8420950560749,
"volume_molar": 14.822918294534972,
"formula_full": "Ca20 Sn20 Au20",
"formula_reduced": "CaSnAu",
"formula_anonymous": "ABC",
"energy": -230.05925905,
"energy_per_atom": -3.834320984166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.05925905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.055918,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.672000Z",
"spacegroup": 62
},
{
"id": "mp-1112930",
"created_at": "2022-09-04T14:40:59.364838Z",
"structure_string": "Cs2 Bi1 Au1 Br6\n1.0\n0.000000 5.727356 5.727356\n5.727356 0.000000 5.727356\n5.727356 5.727356 0.000000\nCs Bi Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.747510 0.252490 0.252490 Br\n0.252490 0.252490 0.747510 Br\n0.252490 0.747510 0.747510 Br\n0.252490 0.747510 0.252490 Br\n0.747510 0.252490 0.747510 Br\n0.747510 0.747510 0.252490 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Bi",
"Au",
"Br"
],
"chemical_system": "Au-Bi-Br-Cs",
"density": 5.087454145687642,
"density_atomic": 0.02661383549364394,
"volume": 375.7444131789367,
"volume_molar": 22.62785745947156,
"formula_full": "Cs2 Bi1 Au1 Br6",
"formula_reduced": "Cs2BiAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.38507907,
"energy_per_atom": -3.2385079070000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.18107907,
"band_gap": 0.4311,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.605000Z",
"spacegroup": 225
},
{
"id": "mp-11294",
"created_at": "2022-09-04T14:40:59.365471Z",
"structure_string": "Dy1 Cd2\n1.0\n2.489371 -4.311717 0.000000\n2.489371 4.311717 0.000000\n0.000000 0.000000 3.454738\nDy Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Cd"
],
"chemical_system": "Cd-Dy",
"density": 8.67233960853558,
"density_atomic": 0.04045165252103374,
"volume": 74.1626067919001,
"volume_molar": 14.887255240978483,
"formula_full": "Dy1 Cd2",
"formula_reduced": "DyCd2",
"formula_anonymous": "AB2",
"energy": -7.38172421,
"energy_per_atom": -2.4605747366666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.38172421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1139117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.970000Z",
"spacegroup": 191
},
{
"id": "mp-1206019",
"created_at": "2022-09-04T14:40:59.366630Z",
"structure_string": "Ce4 Si1 I5\n1.0\n2.169435 10.088883 0.000000\n-2.169435 10.088883 0.000000\n0.000000 1.976382 8.931208\nCe Si I\n4 1 5\ndirect\n0.855698 0.855698 0.072458 Ce\n0.144302 0.144302 0.927542 Ce\n0.502069 0.502069 0.212623 Ce\n0.497931 0.497931 0.787377 Ce\n0.000000 0.000000 0.000000 Si\n0.668910 0.668910 0.171928 I\n0.331090 0.331090 0.828072 I\n0.661020 0.661020 0.665721 I\n0.338980 0.338980 0.334279 I\n0.000000 0.000000 0.500000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Si",
"I"
],
"chemical_system": "Ce-I-Si",
"density": 5.194827615840063,
"density_atomic": 0.025578205513711347,
"volume": 390.95784083208815,
"volume_molar": 23.544031487165103,
"formula_full": "Ce4 Si1 I5",
"formula_reduced": "Ce4SiI5",
"formula_anonymous": "AB4C5",
"energy": -49.95754166,
"energy_per_atom": -4.995754165999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.06254166000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8365002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.460000Z",
"spacegroup": 12
},
{
"id": "mp-1186992",
"created_at": "2022-09-04T14:40:59.379232Z",
"structure_string": "Sc1 Zn1 Au2\n1.0\n0.000000 3.300366 3.300366\n3.300366 0.000000 3.300366\n3.300366 3.300366 0.000000\nSc Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Au"
],
"chemical_system": "Au-Sc-Zn",
"density": 11.647160962377946,
"density_atomic": 0.055634435067957316,
"volume": 71.89791709242685,
"volume_molar": 10.824484427035111,
"formula_full": "Sc1 Zn1 Au2",
"formula_reduced": "ScZnAu2",
"formula_anonymous": "ABC2",
"energy": -16.57991592,
"energy_per_atom": -4.14497898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.57991592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.438000Z",
"spacegroup": 225
}
]
}