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=1753",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=1751",
"results": [
{
"id": "mp-1049203",
"created_at": "2022-09-04T14:40:05.034106Z",
"structure_string": "La2 Mg2 Cr2 Bi2 O12\n1.0\n5.760341 0.000000 0.000000\n0.000000 5.558809 0.000000\n0.000000 5.424050 8.121621\nLa Mg Cr Bi O\n2 2 2 2 12\ndirect\n0.306288 0.765093 0.247615 La\n0.693712 0.765093 0.747615 La\n0.799718 0.230264 0.250642 Mg\n0.200282 0.230264 0.750642 Mg\n0.244200 0.000776 0.499549 Cr\n0.755800 0.000776 0.999549 Cr\n0.245257 0.500076 0.998123 Bi\n0.754743 0.500076 0.498123 Bi\n0.833636 0.344781 0.765720 O\n0.031297 0.112263 0.073843 O\n0.055683 0.786755 0.430643 O\n0.583186 0.227363 0.073790 O\n0.554315 0.916518 0.429830 O\n0.296228 0.616110 0.730245 O\n0.166364 0.344781 0.265720 O\n0.968703 0.112263 0.573843 O\n0.944317 0.786755 0.930643 O\n0.416814 0.227363 0.573790 O\n0.445685 0.916518 0.929830 O\n0.703772 0.616110 0.230245 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-La-Mg-O",
"density": 6.642979198506607,
"density_atomic": 0.07690548779555108,
"volume": 260.05946484818975,
"volume_molar": 7.830573516430352,
"formula_full": "La2 Mg2 Cr2 Bi2 O12",
"formula_reduced": "LaMgCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -149.44274217999998,
"energy_per_atom": -7.472137108999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.20074218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.707000Z",
"spacegroup": 7
},
{
"id": "mp-772596",
"created_at": "2022-09-04T14:40:05.024969Z",
"structure_string": "Li4 Fe2 Ni6 O16\n1.0\n5.724277 0.048134 0.010691\n-2.820453 4.885167 -0.021382\n0.016601 -0.028754 9.292027\nLi Fe Ni O\n4 2 6 16\ndirect\n0.332404 0.665027 0.892728 Li\n0.996457 0.999015 0.998359 Li\n0.003543 0.002558 0.498359 Li\n0.667596 0.332623 0.392728 Li\n0.328906 0.661793 0.493272 Fe\n0.671094 0.332886 0.993272 Fe\n0.170334 0.832034 0.213360 Ni\n0.169636 0.339476 0.214056 Ni\n0.661194 0.829057 0.216452 Ni\n0.338806 0.167864 0.716452 Ni\n0.829666 0.661699 0.713360 Ni\n0.830364 0.169840 0.714056 Ni\n0.156870 0.838294 0.605356 O\n0.035124 0.521191 0.330545 O\n0.314189 0.655628 0.105055 O\n0.021277 0.012493 0.311644 O\n0.978723 0.991216 0.811644 O\n0.151839 0.322028 0.603956 O\n0.478526 0.962590 0.331759 O\n0.472446 0.507266 0.335665 O\n0.320252 0.158987 0.101713 O\n0.679747 0.838734 0.601713 O\n0.521474 0.484063 0.831759 O\n0.527554 0.034820 0.835665 O\n0.685811 0.341438 0.605055 O\n0.843129 0.681423 0.105356 O\n0.964876 0.486067 0.830545 O\n0.848161 0.170189 0.103956 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.754591757704219,
"density_atomic": 0.10723834080138524,
"volume": 261.10064544786684,
"volume_molar": 5.615660140763955,
"formula_full": "Li4 Fe2 Ni6 O16",
"formula_reduced": "Li2FeNi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -174.59484776,
"energy_per_atom": -6.235530277142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.84484776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9990961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.944000Z",
"spacegroup": 36
},
{
"id": "mp-1227163",
"created_at": "2022-09-04T14:40:05.036375Z",
"structure_string": "Ca4 Zr4 Ti8 O28\n1.0\n7.285655 0.000000 0.000000\n3.590177 6.373603 0.000000\n1.825357 1.037684 11.283801\nCa Zr Ti O\n4 4 8 28\ndirect\n0.247603 0.499702 0.000476 Ca\n0.500089 0.753630 0.489121 Ca\n0.752397 0.500298 0.999524 Ca\n0.499911 0.246370 0.510879 Ca\n0.003495 0.243022 0.527018 Zr\n0.755667 0.999127 0.974706 Zr\n0.996505 0.756978 0.472982 Zr\n0.244333 0.000873 0.025294 Zr\n0.137095 0.372607 0.752637 Ti\n0.622244 0.884989 0.745804 Ti\n0.862905 0.627393 0.247363 Ti\n0.377756 0.115011 0.254196 Ti\n0.874630 0.127541 0.251695 Ti\n0.125370 0.872459 0.748305 Ti\n0.414736 0.517441 0.246136 Ti\n0.585264 0.482559 0.753864 Ti\n0.198514 0.445129 0.222473 O\n0.579266 0.835693 0.281707 O\n0.801486 0.554871 0.777527 O\n0.420734 0.164307 0.718293 O\n0.337187 0.604087 0.395086 O\n0.391688 0.668956 0.098433 O\n0.662813 0.395913 0.604914 O\n0.608312 0.331044 0.901567 O\n0.120826 0.295690 0.925770 O\n0.708398 0.878092 0.571108 O\n0.879174 0.704310 0.074230 O\n0.291602 0.121908 0.428892 O\n0.060838 0.162850 0.709057 O\n0.836942 0.932281 0.790942 O\n0.939162 0.837150 0.290943 O\n0.163058 0.067719 0.209058 O\n0.252381 0.556271 0.777409 O\n0.432334 0.780289 0.716732 O\n0.747619 0.443729 0.222591 O\n0.567666 0.219711 0.283268 O\n0.540954 0.880555 0.917417 O\n0.117807 0.464131 0.583480 O\n0.459046 0.119445 0.082583 O\n0.882193 0.535869 0.416520 O\n0.878411 0.118677 0.082407 O\n0.879371 0.124549 0.420211 O\n0.121589 0.881323 0.917593 O\n0.120629 0.875451 0.579789 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti-Zr",
"density": 4.297743529692703,
"density_atomic": 0.08397376925894892,
"volume": 523.9731452844247,
"volume_molar": 7.1714546258244,
"formula_full": "Ca4 Zr4 Ti8 O28",
"formula_reduced": "CaZrTi2O7",
"formula_anonymous": "ABC2D7",
"energy": -403.2842924799999,
"energy_per_atom": -9.16555210181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -384.04829248,
"band_gap": 2.9332000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.884000Z",
"spacegroup": 2
},
{
"id": "mp-20086",
"created_at": "2022-09-04T14:40:05.038900Z",
"structure_string": "Mn2 Sn4\n1.0\n-3.311199 3.311199 2.711264\n3.311199 -3.311199 2.711264\n3.311199 3.311199 -2.711264\nMn Sn\n2 4\ndirect\n0.750000 0.750000 0.000000 Mn\n0.250000 0.250000 0.000000 Mn\n0.663738 0.163738 0.827476 Sn\n0.336262 0.836262 0.172524 Sn\n0.836262 0.663738 0.500000 Sn\n0.163738 0.336262 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 8.165669136955971,
"density_atomic": 0.05046019064670891,
"volume": 118.9056149630566,
"volume_molar": 11.934439174364819,
"formula_full": "Mn2 Sn4",
"formula_reduced": "MnSn2",
"formula_anonymous": "AB2",
"energy": -34.30426026,
"energy_per_atom": -5.71737671,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.30426026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4050685,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.786000Z",
"spacegroup": 140
},
{
"id": "mp-558111",
"created_at": "2022-09-04T14:40:05.041533Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n0.000000 4.353523 4.353523\n4.353523 0.000000 4.353523\n4.353523 4.353523 0.000000\nRb Mn F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.787581 0.787581 0.212419 F\n0.787581 0.212419 0.787581 F\n0.212419 0.787581 0.212419 F\n0.212419 0.212419 0.787581 F\n0.212419 0.787581 0.787581 F\n0.787581 0.212419 0.212419 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 3.4198087462492284,
"density_atomic": 0.054536841745853847,
"volume": 165.02605783335855,
"volume_molar": 11.042334992670956,
"formula_full": "Rb2 Mn1 F6",
"formula_reduced": "Rb2MnF6",
"formula_anonymous": "AB2C6",
"energy": -48.71243312,
"energy_per_atom": -5.412492568888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.27243312,
"band_gap": 3.3045,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999941,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.391000Z",
"spacegroup": 225
},
{
"id": "mp-1200646",
"created_at": "2022-09-04T14:40:05.044035Z",
"structure_string": "H20 Br4 N4 O4\n1.0\n6.056112 0.000000 -3.026917\n0.000000 7.068192 0.000000\n-0.134468 0.000000 8.335140\nH Br N O\n20 4 4 4\ndirect\n0.209624 0.107902 0.575931 H\n0.709624 0.392098 0.075931 H\n0.790376 0.892098 0.424069 H\n0.290376 0.607902 0.924069 H\n0.167162 0.875930 0.492610 H\n0.667162 0.624070 0.992610 H\n0.832838 0.124070 0.507390 H\n0.332838 0.375930 0.007390 H\n0.139294 0.928520 0.685402 H\n0.639294 0.571480 0.185402 H\n0.860706 0.071480 0.314598 H\n0.360706 0.428520 0.814598 H\n0.220145 0.926603 0.969437 H\n0.720145 0.573397 0.469437 H\n0.779855 0.073397 0.030563 H\n0.279855 0.426603 0.530563 H\n0.989085 0.826765 0.853738 H\n0.489085 0.673235 0.353738 H\n0.010915 0.173235 0.146262 H\n0.510915 0.326765 0.646262 H\n0.136212 0.639972 0.312863 Br\n0.636212 0.860028 0.812863 Br\n0.863788 0.360028 0.687137 Br\n0.363788 0.139972 0.187137 Br\n0.382618 0.481694 0.942707 N\n0.882618 0.018306 0.442707 N\n0.617382 0.518306 0.057293 N\n0.117382 0.981694 0.557293 N\n0.143872 0.833447 0.868854 O\n0.643872 0.666553 0.368854 O\n0.856128 0.166553 0.131146 O\n0.356128 0.333447 0.631146 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"Br",
"N",
"O"
],
"chemical_system": "Br-H-N-O",
"density": 2.157338100387258,
"density_atomic": 0.09041716444522925,
"volume": 353.91510225234055,
"volume_molar": 6.660395508916837,
"formula_full": "H20 Br4 N4 O4",
"formula_reduced": "H5BrNO",
"formula_anonymous": "ABCD5",
"energy": -153.64982155,
"energy_per_atom": -4.8015569234375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.32182155,
"band_gap": 4.5682,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014788,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.750000Z",
"spacegroup": 14
},
{
"id": "mp-1101227",
"created_at": "2022-09-04T14:40:05.055752Z",
"structure_string": "V6 O3 F15\n1.0\n4.629860 0.000000 0.000000\n-0.068514 8.521146 0.000000\n-0.020407 -4.224771 7.468360\nV O F\n6 3 15\ndirect\n0.998146 0.334894 0.992608 V\n0.520003 0.019149 0.676508 V\n0.983202 0.659439 0.645504 V\n0.505256 0.337808 0.334119 V\n0.993959 0.994307 0.328384 V\n0.517535 0.688195 0.002346 V\n0.738105 0.202029 0.783125 O\n0.768248 0.550091 0.463469 O\n0.733181 0.870805 0.114338 O\n0.246471 0.118790 0.882289 F\n0.253712 0.465198 0.912398 F\n0.249200 0.091374 0.552587 F\n0.241087 0.752205 0.870996 F\n0.752046 0.570506 0.783905 F\n0.747302 0.209444 0.428316 F\n0.748280 0.878893 0.763010 F\n0.254872 0.449015 0.545034 F\n0.260488 0.791087 0.581465 F\n0.242131 0.117646 0.238475 F\n0.745368 0.900147 0.452842 F\n0.754364 0.240572 0.121424 F\n0.256024 0.428488 0.211789 F\n0.246887 0.786389 0.214588 F\n0.742851 0.547810 0.091645 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.599172916779939,
"density_atomic": 0.08145544716625366,
"volume": 294.63959544676106,
"volume_molar": 7.393171321874376,
"formula_full": "V6 O3 F15",
"formula_reduced": "V2OF5",
"formula_anonymous": "AB2C5",
"energy": -170.16023574,
"energy_per_atom": -7.0900098225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.96923574,
"band_gap": 1.7715,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9999282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.478000Z",
"spacegroup": 1
},
{
"id": "mp-1093829",
"created_at": "2022-09-04T14:40:05.071979Z",
"structure_string": "Ca1 Y1 Pd2\n1.0\n-5.312662 6.036785 8.534989\n5.312662 -6.036785 8.534989\n5.312662 6.036785 -8.534989\nCa Y Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.267382 0.267382 Pd\n0.000000 0.732618 0.732618 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Pd"
],
"chemical_system": "Ca-Pd-Y",
"density": 0.5184067011327166,
"density_atomic": 0.0036532478657967707,
"volume": 1094.91612585329,
"volume_molar": 164.84347575705968,
"formula_full": "Ca1 Y1 Pd2",
"formula_reduced": "CaYPd2",
"formula_anonymous": "ABC2",
"energy": -14.17599708,
"energy_per_atom": -3.54399927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.17599708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.893000Z",
"spacegroup": 71
},
{
"id": "mp-1037598",
"created_at": "2022-09-04T14:40:05.126022Z",
"structure_string": "Sr1 Mg30 Zn1 O32\n1.0\n8.616949 0.000000 0.000000\n0.000000 8.616949 0.000000\n0.000000 0.000000 8.587603\nSr Mg Zn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255681 0.000000 0.244814 Mg\n0.255681 0.000000 0.755186 Mg\n0.744319 0.000000 0.244814 Mg\n0.744319 0.000000 0.755186 Mg\n0.250243 0.500000 0.249516 Mg\n0.250243 0.500000 0.750484 Mg\n0.749757 0.500000 0.249516 Mg\n0.749757 0.500000 0.750484 Mg\n0.000000 0.255681 0.244814 Mg\n0.000000 0.255681 0.755186 Mg\n0.500000 0.250243 0.249516 Mg\n0.500000 0.250243 0.750484 Mg\n0.000000 0.744319 0.244814 Mg\n0.000000 0.744319 0.755186 Mg\n0.500000 0.749757 0.249516 Mg\n0.500000 0.749757 0.750484 Mg\n0.250013 0.250013 0.000000 Mg\n0.254880 0.254880 0.500000 Mg\n0.749987 0.250013 0.000000 Mg\n0.745120 0.254880 0.500000 Mg\n0.250013 0.749987 0.000000 Mg\n0.254880 0.745120 0.500000 Mg\n0.749987 0.749987 0.000000 Mg\n0.745120 0.745120 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.258689 0.000000 O\n0.000000 0.270026 0.500000 O\n0.500000 0.251138 0.000000 O\n0.500000 0.253625 0.500000 O\n0.000000 0.741311 0.000000 O\n0.000000 0.729974 0.500000 O\n0.500000 0.748862 0.000000 O\n0.500000 0.746375 0.500000 O\n0.249251 0.249251 0.250330 O\n0.249251 0.249251 0.749670 O\n0.750749 0.249251 0.250330 O\n0.750749 0.249251 0.749670 O\n0.249251 0.750749 0.250330 O\n0.249251 0.750749 0.749670 O\n0.750749 0.750749 0.250330 O\n0.750749 0.750749 0.749670 O\n0.000000 0.000000 0.230229 O\n0.000000 0.000000 0.769771 O\n0.500000 0.000000 0.247083 O\n0.500000 0.000000 0.752917 O\n0.000000 0.500000 0.247083 O\n0.000000 0.500000 0.752917 O\n0.500000 0.500000 0.249507 O\n0.500000 0.500000 0.750493 O\n0.258689 0.000000 0.000000 O\n0.270026 0.000000 0.500000 O\n0.741311 0.000000 0.000000 O\n0.729974 0.000000 0.500000 O\n0.251138 0.500000 0.000000 O\n0.253625 0.500000 0.500000 O\n0.748862 0.500000 0.000000 O\n0.746375 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Zn",
"O"
],
"chemical_system": "Mg-O-Sr-Zn",
"density": 3.6306354948156696,
"density_atomic": 0.10036931723017926,
"volume": 637.6450669005482,
"volume_molar": 5.999981793429247,
"formula_full": "Sr1 Mg30 Zn1 O32",
"formula_reduced": "SrMg30ZnO32",
"formula_anonymous": "ABC30D32",
"energy": -399.61745726,
"energy_per_atom": -6.2440227696875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -377.63345726,
"band_gap": 3.6815000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.472000Z",
"spacegroup": 123
},
{
"id": "mp-1187657",
"created_at": "2022-09-04T14:40:05.520504Z",
"structure_string": "Yb1 Ce1 Ag2\n1.0\n0.000000 3.706980 3.706980\n3.706980 0.000000 3.706980\n3.706980 3.706980 0.000000\nYb Ce Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce-Yb",
"density": 8.620365883558604,
"density_atomic": 0.039261715064487016,
"volume": 101.8804194730168,
"volume_molar": 15.338455668858806,
"formula_full": "Yb1 Ce1 Ag2",
"formula_reduced": "YbCeAg2",
"formula_anonymous": "ABC2",
"energy": -14.184225,
"energy_per_atom": -3.54605625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.184225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0428612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.793000Z",
"spacegroup": 225
},
{
"id": "mp-1228918",
"created_at": "2022-09-04T14:40:05.529717Z",
"structure_string": "Al1 Ga1 Ni6\n1.0\n3.569267 0.000000 0.000000\n0.000000 3.569267 0.000000\n0.000000 0.000000 7.131995\nAl Ga Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.249405 Ni\n0.500000 0.000000 0.750595 Ni\n0.000000 0.500000 0.249405 Ni\n0.000000 0.500000 0.750595 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Ni"
],
"chemical_system": "Al-Ga-Ni",
"density": 8.203433794651996,
"density_atomic": 0.08804828142361416,
"volume": 90.85924075577056,
"volume_molar": 6.839589214724738,
"formula_full": "Al1 Ga1 Ni6",
"formula_reduced": "AlGaNi6",
"formula_anonymous": "ABC6",
"energy": -44.35635102,
"energy_per_atom": -5.5445438775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.35635102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4995944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.799000Z",
"spacegroup": 123
},
{
"id": "mp-1063988",
"created_at": "2022-09-04T14:40:05.531640Z",
"structure_string": "S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3707936084368693,
"density_atomic": 0.06330701259918974,
"volume": 15.796038368311807,
"volume_molar": 9.512596650433442,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.99896608,
"energy_per_atom": -2.99896608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.99896608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.605000Z",
"spacegroup": 229
}
]
}