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=82",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=80",
"results": [
{
"id": "mp-1176299",
"created_at": "2022-09-04T14:40:21.287606Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.011908 -0.257404 0.000000\n-1.108336 9.706535 0.000000\n0.000000 0.000000 5.854351\nLi Mn Co O\n9 2 5 16\ndirect\n0.249345 0.250054 0.249904 Li\n0.750655 0.749946 0.249904 Li\n0.748997 0.253388 0.504404 Li\n0.251003 0.746612 0.504404 Li\n0.247388 0.252105 0.749313 Li\n0.752612 0.747895 0.749313 Li\n0.761641 0.258167 0.996185 Li\n0.238359 0.741833 0.996185 Li\n0.000000 0.500000 0.750335 Li\n0.000000 0.000000 0.001679 Mn\n0.500000 0.500000 0.500586 Mn\n0.500000 0.500000 0.989834 Co\n0.500000 0.000000 0.252141 Co\n0.000000 0.500000 0.254903 Co\n0.000000 0.000000 0.506508 Co\n0.500000 0.000000 0.746289 Co\n0.876284 0.114618 0.237998 O\n0.356391 0.610962 0.260449 O\n0.365020 0.115715 0.490129 O\n0.860504 0.608342 0.482271 O\n0.890900 0.119285 0.762298 O\n0.396037 0.617206 0.735826 O\n0.356319 0.113247 0.005285 O\n0.863386 0.606152 0.024801 O\n0.643609 0.389038 0.260449 O\n0.123716 0.885382 0.237998 O\n0.139496 0.391658 0.482271 O\n0.634980 0.884285 0.490129 O\n0.603963 0.382794 0.735826 O\n0.109100 0.880715 0.762298 O\n0.136614 0.393848 0.024801 O\n0.643681 0.886753 0.005285 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.240299684672035,
"density_atomic": 0.11302076827522088,
"volume": 283.13380353313175,
"volume_molar": 5.3283488087209525,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.6985647,
"energy_per_atom": -6.521830146875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.1805647,
"band_gap": 0.4495,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.002059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.830000Z",
"spacegroup": 3
},
{
"id": "mp-1228863",
"created_at": "2022-09-04T14:40:21.340729Z",
"structure_string": "Cs2 Mn2 Cr2 F12\n1.0\n-3.755553 3.818117 5.426361\n3.755553 -3.818117 5.426361\n3.755553 3.818117 -5.426361\nCs Mn Cr F\n2 2 2 12\ndirect\n0.621416 0.371416 0.250000 Cs\n0.378584 0.628584 0.750000 Cs\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.057087 0.307087 0.750000 F\n0.670526 0.920526 0.750000 F\n0.061949 0.334472 0.138381 F\n0.696091 0.923568 0.361619 F\n0.696091 0.334472 0.772523 F\n0.061949 0.923568 0.727477 F\n0.942913 0.692913 0.250000 F\n0.329474 0.079474 0.250000 F\n0.938051 0.665528 0.861619 F\n0.303909 0.076432 0.638381 F\n0.303909 0.665528 0.227477 F\n0.938051 0.076432 0.272523 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cs",
"Mn",
"Cr",
"F"
],
"chemical_system": "Cr-Cs-F-Mn",
"density": 3.775565104075753,
"density_atomic": 0.0578336634279431,
"volume": 311.2374166375748,
"volume_molar": 10.412864070945787,
"formula_full": "Cs2 Mn2 Cr2 F12",
"formula_reduced": "CsMnCrF6",
"formula_anonymous": "ABCD6",
"energy": -117.86796214,
"energy_per_atom": -6.548220118888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.98996214000002,
"band_gap": 1.5958,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9991699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.440000Z",
"spacegroup": 74
},
{
"id": "mp-5380",
"created_at": "2022-09-04T14:40:21.343562Z",
"structure_string": "Ca4 P2 O1\n1.0\n-2.256110 2.256110 7.548836\n2.256110 -2.256110 7.548836\n2.256110 2.256110 -7.548836\nCa P O\n4 2 1\ndirect\n0.826018 0.826018 0.000000 Ca\n0.173982 0.173982 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.636177 0.636177 0.000000 P\n0.363823 0.363823 0.000000 P\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"P",
"O"
],
"chemical_system": "Ca-O-P",
"density": 2.5741731195367654,
"density_atomic": 0.045544665560023755,
"volume": 153.69527723888174,
"volume_molar": 13.222494195425284,
"formula_full": "Ca4 P2 O1",
"formula_reduced": "Ca4P2O",
"formula_anonymous": "AB2C4",
"energy": -36.19154312,
"energy_per_atom": -5.1702204457142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.50454312,
"band_gap": 1.2714000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087999,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.253000Z",
"spacegroup": 139
},
{
"id": "mp-734416",
"created_at": "2022-09-04T14:40:21.366558Z",
"structure_string": "N4 O24\n1.0\n3.446605 0.000000 0.000000\n0.000000 9.299135 0.000000\n0.000000 0.000000 13.515376\nN O\n4 24\ndirect\n0.315303 0.731564 0.830054 N\n0.815303 0.768436 0.169946 N\n0.684697 0.231564 0.669946 N\n0.184697 0.268436 0.330054 N\n0.462628 0.614055 0.804941 O\n0.962628 0.885945 0.195059 O\n0.537372 0.114055 0.695059 O\n0.037372 0.385945 0.304941 O\n0.323599 0.836309 0.772156 O\n0.823599 0.663691 0.227844 O\n0.676401 0.336309 0.727844 O\n0.176401 0.163691 0.272156 O\n0.156914 0.744785 0.912992 O\n0.656914 0.755215 0.087008 O\n0.843086 0.244785 0.587008 O\n0.343086 0.255215 0.412992 O\n0.147649 0.582591 0.580476 O\n0.647649 0.917409 0.419524 O\n0.852351 0.082591 0.919524 O\n0.352351 0.417409 0.080476 O\n0.215511 0.430073 0.992279 O\n0.715511 0.069927 0.007721 O\n0.784489 0.930073 0.507721 O\n0.284489 0.569927 0.492279 O\n0.282911 0.328070 0.930377 O\n0.782911 0.171930 0.069623 O\n0.717089 0.828070 0.569623 O\n0.217089 0.671930 0.430377 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 1.6867542547388623,
"density_atomic": 0.06463917914271207,
"volume": 433.1738176653028,
"volume_molar": 9.316548941167957,
"formula_full": "N4 O24",
"formula_reduced": "NO6",
"formula_anonymous": "AB6",
"energy": -147.5789262,
"energy_per_atom": -5.270675935714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.5789262,
"band_gap": 0.2425000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8494566,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.710000Z",
"spacegroup": 19
},
{
"id": "mp-977347",
"created_at": "2022-09-04T14:40:21.369091Z",
"structure_string": "Hf10 Al6 N2\n1.0\n4.044844 -7.005876 0.000000\n4.044844 7.005876 0.000000\n0.000000 0.000000 5.666363\nHf Al N\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Hf\n0.333333 0.666667 0.000000 Hf\n0.224138 0.000000 0.250000 Hf\n0.000000 0.224138 0.250000 Hf\n0.775862 0.775862 0.250000 Hf\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.775862 0.000000 0.750000 Hf\n0.000000 0.775862 0.750000 Hf\n0.224138 0.224138 0.750000 Hf\n0.596634 0.000000 0.250000 Al\n0.000000 0.596634 0.250000 Al\n0.403366 0.403366 0.250000 Al\n0.403366 0.000000 0.750000 Al\n0.000000 0.403366 0.750000 Al\n0.596634 0.596634 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Al",
"N"
],
"chemical_system": "Al-Hf-N",
"density": 10.211138886399084,
"density_atomic": 0.05604977759089797,
"volume": 321.1431119563096,
"volume_molar": 10.744272357251864,
"formula_full": "Hf10 Al6 N2",
"formula_reduced": "Hf5Al3N",
"formula_anonymous": "AB3C5",
"energy": -151.56245298000002,
"energy_per_atom": -8.420136276666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.84045298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.947000Z",
"spacegroup": 193
},
{
"id": "mp-1215543",
"created_at": "2022-09-04T14:40:21.372194Z",
"structure_string": "Zr3 S4\n1.0\n3.672248 -5.116990 0.000000\n3.672248 5.116990 0.000000\n0.000000 0.000000 3.691930\nZr S\n3 4\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255612 0.255612 0.500000 S\n0.744388 0.744388 0.500000 S\n0.738791 0.261209 0.000000 S\n0.261209 0.738791 0.000000 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 4.810294396736151,
"density_atomic": 0.05045079509702299,
"volume": 138.7490521514706,
"volume_molar": 11.936661748181956,
"formula_full": "Zr3 S4",
"formula_reduced": "Zr3S4",
"formula_anonymous": "A3B4",
"energy": -55.14976069,
"energy_per_atom": -7.878537241428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.13776069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.276000Z",
"spacegroup": 65
},
{
"id": "mp-2435",
"created_at": "2022-09-04T14:40:21.393756Z",
"structure_string": "Ho1 Co5\n1.0\n2.453408 -4.249427 0.000000\n2.453408 4.249427 0.000000\n0.000000 0.000000 3.948811\nHo Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Co"
],
"chemical_system": "Co-Ho",
"density": 9.268919768324915,
"density_atomic": 0.07287100461585183,
"volume": 82.33727573305342,
"volume_molar": 8.264111070989665,
"formula_full": "Ho1 Co5",
"formula_reduced": "HoCo5",
"formula_anonymous": "AB5",
"energy": -40.83373919,
"energy_per_atom": -6.8056231983333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.83373919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2126823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.796000Z",
"spacegroup": 191
},
{
"id": "mp-1073263",
"created_at": "2022-09-04T14:40:21.720400Z",
"structure_string": "Mg4 Si8\n1.0\n3.731697 0.000000 0.000000\n0.000000 6.784847 0.000000\n0.000000 0.131885 8.879632\nMg Si\n4 8\ndirect\n0.500000 0.974170 0.015182 Mg\n0.000000 0.435727 0.461825 Mg\n0.000000 0.519387 0.001245 Mg\n0.500000 0.085988 0.486560 Mg\n0.500000 0.679869 0.786045 Si\n0.000000 0.122158 0.237815 Si\n0.000000 0.819454 0.391630 Si\n0.500000 0.346160 0.703903 Si\n0.000000 0.152934 0.795412 Si\n0.500000 0.688725 0.253723 Si\n0.500000 0.339497 0.202272 Si\n0.000000 0.835931 0.664386 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3775741544410494,
"density_atomic": 0.0533752406816815,
"volume": 224.82334218529203,
"volume_molar": 11.282648439778956,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.81588259,
"energy_per_atom": -3.9846568825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.38388259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0150686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.043000Z",
"spacegroup": 6
},
{
"id": "mp-1344591",
"created_at": "2022-09-04T14:40:21.292117Z",
"structure_string": "Ba2 Mn3 Tl2 O10\n1.0\n3.783713 0.000000 0.000000\n-0.009766 3.786376 0.000000\n-0.166496 -0.066178 18.174856\nBa Mn Tl O\n2 3 2 10\ndirect\n0.217453 0.196510 0.269637 Ba\n0.781111 0.708846 0.729164 Ba\n0.292989 0.207680 0.858934 Mn\n0.719583 0.693497 0.139290 Mn\n0.233614 0.706613 0.997867 Mn\n0.726464 0.705111 0.435834 Tl\n0.248261 0.207755 0.565519 Tl\n0.288763 0.708822 0.838303 O\n0.271506 0.205592 0.676218 O\n0.787174 0.210685 0.830261 O\n0.731339 0.731702 0.550619 O\n0.733985 0.705562 0.032870 O\n0.218465 0.692889 0.160409 O\n0.715960 0.702665 0.324578 O\n0.714744 0.195082 0.168609 O\n0.224367 0.233717 0.450667 O\n0.244688 0.205976 0.964274 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Tl",
"O"
],
"chemical_system": "Ba-Mn-O-Tl",
"density": 6.429767422557811,
"density_atomic": 0.06528839869491257,
"volume": 260.38316668539585,
"volume_molar": 9.223906360670567,
"formula_full": "Ba2 Mn3 Tl2 O10",
"formula_reduced": "Ba2Mn3Tl2O10",
"formula_anonymous": "A2B2C3D10",
"energy": -117.14455479,
"energy_per_atom": -6.890856164117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.27055479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.1358801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.897000Z",
"spacegroup": 1
},
{
"id": "mp-1299412",
"created_at": "2022-09-04T14:40:21.331544Z",
"structure_string": "Li8 Mn6 Sb2 O16\n1.0\n3.463764 4.298566 2.619538\n5.261242 4.813520 -7.980779\n-5.252005 1.681705 -2.607510\nLi Mn Sb O\n8 6 2 16\ndirect\n0.500865 0.746743 0.752657 Li\n0.501274 0.246563 0.252589 Li\n0.000980 0.500777 0.000351 Li\n0.000871 0.000828 0.500340 Li\n0.499799 0.500339 0.500022 Li\n0.499669 0.000454 0.999931 Li\n0.998903 0.750998 0.250428 Li\n0.998761 0.251027 0.750313 Li\n0.499148 0.250775 0.749748 Mn\n0.000052 0.250848 0.249505 Mn\n0.502558 0.996958 0.501071 Mn\n0.499036 0.750823 0.249827 Mn\n0.999717 0.750875 0.749467 Mn\n0.502585 0.496960 0.001015 Mn\n0.999440 0.000786 0.999896 Sb\n0.999531 0.500716 0.499908 Sb\n0.228004 0.140294 0.579010 O\n0.227938 0.640343 0.079100 O\n0.774215 0.359462 0.917451 O\n0.774144 0.859474 0.417573 O\n0.768119 0.881842 0.890420 O\n0.768255 0.381795 0.390301 O\n0.225638 0.885127 0.346022 O\n0.225722 0.385112 0.845920 O\n0.768392 0.616669 0.623850 O\n0.768362 0.116673 0.123795 O\n0.233001 0.618237 0.611112 O\n0.233025 0.118215 0.111070 O\n0.770985 0.615200 0.152713 O\n0.771107 0.115156 0.652704 O\n0.229915 0.884947 0.875975 O\n0.229985 0.384986 0.375926 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.430640428176247,
"density_atomic": 0.09651342356874726,
"volume": 331.560096168448,
"volume_molar": 6.239692404767283,
"formula_full": "Li8 Mn6 Sb2 O16",
"formula_reduced": "Li4Mn3SbO8",
"formula_anonymous": "AB3C4D8",
"energy": -224.91276805,
"energy_per_atom": -7.0285240015625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.91276805,
"band_gap": 0.1113999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0012014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.578000Z",
"spacegroup": 12
},
{
"id": "mp-8208",
"created_at": "2022-09-04T14:40:21.335032Z",
"structure_string": "Mg1 Pt3 O6\n1.0\n3.587784 -5.011306 0.000000\n3.587784 5.011306 0.000000\n0.000000 0.000000 3.238153\nMg Pt O\n1 3 6\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.086177 0.339932 0.000000 O\n0.913823 0.660068 0.000000 O\n0.339932 0.086177 0.000000 O\n0.660068 0.913823 0.000000 O\n0.647045 0.352955 0.500000 O\n0.352955 0.647045 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Pt",
"O"
],
"chemical_system": "Mg-O-Pt",
"density": 10.061770673065297,
"density_atomic": 0.0858806708450118,
"volume": 116.44063677666101,
"volume_molar": 7.012219048530852,
"formula_full": "Mg1 Pt3 O6",
"formula_reduced": "Mg(PtO2)3",
"formula_anonymous": "AB3C6",
"energy": -63.29751764,
"energy_per_atom": -6.329751764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.17551764000001,
"band_gap": 0.3371999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.96e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.786000Z",
"spacegroup": 65
},
{
"id": "mp-754081",
"created_at": "2022-09-04T14:40:21.343719Z",
"structure_string": "Li6 Ti2 V6 O16\n1.0\n1.243158 3.888217 -0.000172\n6.511373 0.058884 0.004834\n-2.709252 -1.275180 -12.650892\nLi Ti V O\n6 2 6 16\ndirect\n0.939068 0.438303 0.320519 Li\n0.939158 0.938180 0.820530 Li\n0.175204 0.648602 0.002192 Li\n0.175148 0.148859 0.502305 Li\n0.060448 0.055683 0.179856 Li\n0.060488 0.555669 0.679897 Li\n0.295902 0.761042 0.356654 Ti\n0.295643 0.261034 0.856559 Ti\n0.390465 0.870570 0.654403 V\n0.710005 0.725730 0.149246 V\n0.609649 0.624371 0.847655 V\n0.390710 0.370495 0.154425 V\n0.710105 0.225635 0.649293 V\n0.609718 0.124412 0.347731 V\n0.338885 0.812053 0.494288 O\n0.339014 0.311672 0.994128 O\n0.434548 0.449121 0.322011 O\n0.434479 0.948933 0.821756 O\n0.882085 0.397355 0.164944 O\n0.882022 0.897216 0.664901 O\n0.224804 0.710923 0.164186 O\n0.224742 0.211267 0.664277 O\n0.774139 0.774355 0.326397 O\n0.774221 0.274174 0.826334 O\n0.122783 0.092421 0.341830 O\n0.122811 0.592487 0.841888 O\n0.560759 0.059925 0.184912 O\n0.560926 0.559719 0.685001 O\n0.649304 0.698258 0.000026 O\n0.649380 0.198129 0.500058 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.6350346134616087,
"density_atomic": 0.09394885228065038,
"volume": 319.3226875234406,
"volume_molar": 6.4100205737588505,
"formula_full": "Li6 Ti2 V6 O16",
"formula_reduced": "Li3TiV3O8",
"formula_anonymous": "AB3C3D8",
"energy": -239.91994152,
"energy_per_atom": -7.997331384000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.72794152,
"band_gap": 0.8866,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.585000Z",
"spacegroup": 8
}
]
}