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=density_atomic&page=12116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=12114",
"results": [
{
"id": "mp-1078552",
"created_at": "2022-09-04T14:44:31.251266Z",
"structure_string": "Li2 H6 Pt1\n1.0\n0.000000 3.375820 3.375820\n3.375820 0.000000 3.375820\n3.375820 3.375820 0.000000\nLi H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.756016 0.756016 0.243984 H\n0.243984 0.756016 0.243984 H\n0.756016 0.243984 0.243984 H\n0.243984 0.243984 0.756016 H\n0.756016 0.243984 0.756016 H\n0.243984 0.756016 0.756016 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"H",
"Pt"
],
"chemical_system": "H-Li-Pt",
"density": 4.64031291551786,
"density_atomic": 0.11697004804726086,
"volume": 76.94277424220274,
"volume_molar": 5.148446855016082,
"formula_full": "Li2 H6 Pt1",
"formula_reduced": "Li2H6Pt",
"formula_anonymous": "AB2C6",
"energy": -33.44517926,
"energy_per_atom": -3.7161310288888894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44517926,
"band_gap": 3.0722,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001051,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.647000Z",
"spacegroup": 225
},
{
"id": "mp-1273466",
"created_at": "2022-09-04T14:41:56.376037Z",
"structure_string": "Li8 Ni8 O16\n1.0\n-1.646522 5.494749 0.000424\n3.403020 1.018609 7.473709\n4.994199 1.494262 -2.458363\nLi Ni O\n8 8 16\ndirect\n0.499226 0.000061 0.999982 Li\n0.001155 0.499965 0.499969 Li\n0.498836 0.499953 0.999976 Li\n0.000490 0.000035 0.500032 Li\n0.749362 0.248118 0.250632 Li\n0.250457 0.752149 0.749669 Li\n0.250545 0.247846 0.250343 Li\n0.749411 0.751889 0.749395 Li\n0.500732 0.000010 0.500010 Ni\n0.500924 0.499977 0.499892 Ni\n0.999464 0.000052 0.000098 Ni\n0.998869 0.499963 0.999959 Ni\n0.749989 0.749660 0.249844 Ni\n0.250366 0.249703 0.749613 Ni\n0.250390 0.750271 0.250450 Ni\n0.749965 0.250330 0.750184 Ni\n0.501662 0.750152 0.030327 O\n0.998532 0.250141 0.530440 O\n0.501361 0.249860 0.969672 O\n0.998320 0.749861 0.469583 O\n0.523627 0.248489 0.510268 O\n0.976795 0.745266 0.008777 O\n0.523437 0.751489 0.489746 O\n0.976419 0.254761 0.991215 O\n0.253359 0.513271 0.253410 O\n0.754713 0.022638 0.755565 O\n0.746744 0.521058 0.253313 O\n0.244911 0.014126 0.755328 O\n0.746609 0.479012 0.746499 O\n0.245150 0.985998 0.244910 O\n0.253285 0.486507 0.746601 O\n0.754894 0.977387 0.244300 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.740949918267448,
"density_atomic": 0.11697114405257052,
"volume": 273.57174505891976,
"volume_molar": 5.148398614698904,
"formula_full": "Li8 Ni8 O16",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy": -187.34643266,
"energy_per_atom": -5.854576020625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.02643266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0421512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.713000Z",
"spacegroup": 53
},
{
"id": "mp-1204682",
"created_at": "2022-09-04T14:43:08.056618Z",
"structure_string": "H32 S4 N8 O16\n1.0\n-5.952675 0.000000 0.000000\n0.000000 0.000000 -8.170873\n0.000000 -10.544977 0.000000\nH S N O\n32 4 8 16\ndirect\n0.750000 0.442395 0.551177 H\n0.750000 0.942395 0.948823 H\n0.250000 0.557605 0.448823 H\n0.250000 0.057605 0.051177 H\n0.750000 0.338443 0.690150 H\n0.750000 0.838443 0.809850 H\n0.250000 0.661557 0.309850 H\n0.250000 0.161557 0.190150 H\n0.750000 0.069849 0.212186 H\n0.750000 0.569849 0.287814 H\n0.250000 0.930151 0.787814 H\n0.250000 0.430151 0.712186 H\n0.750000 0.392129 0.207818 H\n0.750000 0.892129 0.292182 H\n0.250000 0.607871 0.792182 H\n0.250000 0.107871 0.707818 H\n0.894276 0.268766 0.565378 H\n0.605724 0.768766 0.934622 H\n0.394276 0.731234 0.434622 H\n0.105724 0.231234 0.065378 H\n0.105724 0.731234 0.434622 H\n0.394276 0.231234 0.065378 H\n0.605724 0.268766 0.565378 H\n0.894276 0.768766 0.934622 H\n0.891210 0.054154 0.350336 H\n0.608790 0.554154 0.149664 H\n0.391210 0.945846 0.649664 H\n0.108790 0.445846 0.850336 H\n0.108790 0.945846 0.649664 H\n0.391210 0.445846 0.850336 H\n0.608790 0.054154 0.350336 H\n0.891210 0.554154 0.149664 H\n0.750000 0.262264 0.919661 S\n0.750000 0.762264 0.580339 S\n0.250000 0.737736 0.080339 S\n0.250000 0.237736 0.419661 S\n0.750000 0.328545 0.592720 N\n0.750000 0.828545 0.907280 N\n0.250000 0.671455 0.407280 N\n0.250000 0.171455 0.092720 N\n0.750000 0.017040 0.301391 N\n0.750000 0.517040 0.198609 N\n0.250000 0.982960 0.698609 N\n0.250000 0.482960 0.801391 N\n0.750000 0.444819 0.913817 O\n0.750000 0.944819 0.586183 O\n0.250000 0.555181 0.086183 O\n0.250000 0.055181 0.413817 O\n0.750000 0.206406 0.057132 O\n0.750000 0.706406 0.442868 O\n0.250000 0.793594 0.942868 O\n0.250000 0.293594 0.557132 O\n0.955793 0.197631 0.857297 O\n0.544207 0.697631 0.642703 O\n0.455793 0.802369 0.142703 O\n0.044207 0.302369 0.357297 O\n0.044207 0.802369 0.142703 O\n0.455793 0.302369 0.357297 O\n0.544207 0.197631 0.857297 O\n0.955793 0.697631 0.642703 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.711258209714572,
"density_atomic": 0.11698359982503446,
"volume": 512.8924061982918,
"volume_molar": 5.147850441435349,
"formula_full": "H32 S4 N8 O16",
"formula_reduced": "H8S(NO2)2",
"formula_anonymous": "AB2C4D8",
"energy": -333.57467958,
"energy_per_atom": -5.559577993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.69467958,
"band_gap": 4.5172,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.999000Z",
"spacegroup": 62
},
{
"id": "mp-1094046",
"created_at": "2022-09-04T14:39:57.723766Z",
"structure_string": "Ti2 H4 O4\n1.0\n3.076718 0.000000 0.000000\n0.000000 4.868286 0.000000\n0.000000 0.000000 5.706810\nTi H O\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.022028 0.343901 H\n0.500000 0.977972 0.656099 H\n0.000000 0.477972 0.843901 H\n0.000000 0.522028 0.156099 H\n0.500000 0.854047 0.247190 O\n0.500000 0.145953 0.752810 O\n0.000000 0.645953 0.747190 O\n0.000000 0.354047 0.252810 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.1813294648456516,
"density_atomic": 0.11698840233771904,
"volume": 85.47855855943962,
"volume_molar": 5.147639116068481,
"formula_full": "Ti2 H4 O4",
"formula_reduced": "Ti(HO)2",
"formula_anonymous": "AB2C2",
"energy": -65.23313622,
"energy_per_atom": -6.523313622000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.48513622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9892118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.669000Z",
"spacegroup": 58
},
{
"id": "mp-1222601",
"created_at": "2022-09-04T14:46:31.507256Z",
"structure_string": "Li3 Al2 Co1 O6\n1.0\n1.432945 7.435838 0.000000\n-1.432945 7.435838 0.000000\n0.000000 1.654682 4.812953\nLi Al Co O\n3 2 1 6\ndirect\n0.832369 0.832369 0.000103 Li\n0.167631 0.167631 0.999897 Li\n0.500000 0.500000 0.000000 Li\n0.332393 0.332393 0.500199 Al\n0.667607 0.667607 0.499801 Al\n0.000000 0.000000 0.500000 Co\n0.245469 0.245469 0.288809 O\n0.584743 0.584743 0.274381 O\n0.909278 0.909278 0.278516 O\n0.090722 0.090722 0.721484 O\n0.415257 0.415257 0.725619 O\n0.754531 0.754531 0.711191 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-Li-O",
"density": 3.719106936051836,
"density_atomic": 0.11699847170359359,
"volume": 102.56544231108467,
"volume_molar": 5.147196089241763,
"formula_full": "Li3 Al2 Co1 O6",
"formula_reduced": "Li3Al2CoO6",
"formula_anonymous": "AB2C3D6",
"energy": -81.40419299,
"energy_per_atom": -6.783682749166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.64419299,
"band_gap": 0.8303000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.53e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.817000Z",
"spacegroup": 12
},
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
},
{
"id": "mp-944",
"created_at": "2022-09-04T14:41:22.456973Z",
"structure_string": "Al1 B2\n1.0\n1.503493 -2.604126 0.000000\n1.503493 2.604126 0.000000\n0.000000 0.000000 3.274424\nAl B\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 3.1476662124246797,
"density_atomic": 0.11700190695540116,
"volume": 25.640607730808537,
"volume_molar": 5.147044964229107,
"formula_full": "Al1 B2",
"formula_reduced": "AlB2",
"formula_anonymous": "AB2",
"energy": -17.23332169,
"energy_per_atom": -5.744440563333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.23332169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.891000Z",
"spacegroup": 191
},
{
"id": "mp-730887",
"created_at": "2022-09-04T14:46:57.395949Z",
"structure_string": "Cr2 H24 N6 O6 F12\n1.0\n6.862418 0.000000 0.000000\n2.504614 6.644265 0.000000\n1.190193 1.280148 9.371919\nCr H N O F\n2 24 6 6 12\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.280150 0.906324 0.644077 H\n0.719850 0.093676 0.355923 H\n0.226696 0.161557 0.627662 H\n0.773304 0.838443 0.372338 H\n0.030916 0.069682 0.628250 H\n0.969084 0.930318 0.371750 H\n0.333969 0.933996 0.422242 H\n0.666031 0.066004 0.577758 H\n0.880744 0.693933 0.808659 H\n0.119256 0.306067 0.191341 H\n0.760491 0.569716 0.728043 H\n0.239509 0.430284 0.271957 H\n0.098889 0.537842 0.625687 H\n0.901111 0.462158 0.374313 H\n0.883059 0.458492 0.887155 H\n0.116941 0.541508 0.112845 H\n0.591867 0.190918 0.859555 H\n0.408133 0.809082 0.140445 H\n0.337652 0.191250 0.902607 H\n0.662348 0.808750 0.097393 H\n0.390604 0.515605 0.813404 H\n0.609396 0.484395 0.186596 H\n0.501892 0.189670 0.026691 H\n0.498108 0.810330 0.973309 H\n0.186934 0.047323 0.596216 N\n0.813066 0.952677 0.403784 N\n0.882754 0.554795 0.787880 N\n0.117246 0.445205 0.212120 N\n0.452582 0.245350 0.924249 N\n0.547418 0.754650 0.075751 N\n0.212683 0.060843 0.445050 O\n0.787317 0.939157 0.554950 O\n0.076626 0.452446 0.719265 O\n0.923374 0.547554 0.280735 O\n0.376045 0.458685 0.915967 O\n0.623955 0.541315 0.084033 O\n0.800328 0.393890 0.516094 F\n0.199672 0.606110 0.483906 F\n0.519075 0.748887 0.382034 F\n0.480925 0.251113 0.617966 F\n0.540125 0.358448 0.332461 F\n0.459875 0.641552 0.667539 F\n0.845217 0.072274 0.826547 F\n0.154783 0.927726 0.173453 F\n0.009640 0.725197 0.996094 F\n0.990360 0.274803 0.003906 F\n0.734303 0.036487 0.118900 F\n0.265697 0.963513 0.881100 F\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Cr",
"H",
"N",
"O",
"F"
],
"chemical_system": "Cr-F-H-N-O",
"density": 2.083643558773,
"density_atomic": 0.11700848718796984,
"volume": 427.3194295698981,
"volume_molar": 5.146755508705666,
"formula_full": "Cr2 H24 N6 O6 F12",
"formula_reduced": "CrH12N3(OF2)3",
"formula_anonymous": "AB3C3D6E12",
"energy": -268.9103755,
"energy_per_atom": -5.378207509999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -253.0803755,
"band_gap": 3.1805000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0039572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.328000Z",
"spacegroup": 2
},
{
"id": "mp-1299546",
"created_at": "2022-09-04T14:42:17.936087Z",
"structure_string": "Li8 Ni8 O16\n1.0\n3.377188 4.006610 2.490278\n6.645903 -3.988708 -2.471007\n-0.013190 2.990630 -4.963533\nLi Ni O\n8 8 16\ndirect\n0.249317 0.749371 0.246550 Li\n0.751466 0.250268 0.752552 Li\n0.252827 0.250128 0.251141 Li\n0.745482 0.749718 0.749323 Li\n0.749505 0.747694 0.252453 Li\n0.251919 0.252646 0.748417 Li\n0.502607 0.999962 0.002364 Li\n0.996796 0.500899 0.496560 Li\n0.502139 0.000617 0.498500 Ni\n0.999104 0.000028 0.001728 Ni\n0.501437 0.500730 0.498426 Ni\n0.998359 0.500921 0.001412 Ni\n0.752780 0.251417 0.253720 Ni\n0.246099 0.749014 0.745600 Ni\n0.500791 0.501046 0.000923 Ni\n0.000253 0.996978 0.500001 Ni\n0.515799 0.261210 0.016221 O\n0.013245 0.764485 0.513305 O\n0.990656 0.229965 0.490725 O\n0.478547 0.741219 0.978600 O\n0.768197 0.993400 0.268684 O\n0.240978 0.516616 0.743972 O\n0.756221 0.506267 0.253257 O\n0.236562 0.985069 0.735327 O\n0.265310 0.500344 0.229714 O\n0.773108 0.999266 0.734160 O\n0.517103 0.256112 0.487849 O\n0.017043 0.747442 0.977529 O\n0.228173 0.998558 0.266608 O\n0.734221 0.500464 0.769931 O\n0.987837 0.253489 0.016507 O\n0.476119 0.744660 0.517938 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.742532803382868,
"density_atomic": 0.11701019780467642,
"volume": 273.4804367514802,
"volume_molar": 5.146680266324034,
"formula_full": "Li8 Ni8 O16",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy": -187.33598862,
"energy_per_atom": -5.854249644375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.01598862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0053699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.753000Z",
"spacegroup": 8
},
{
"id": "mp-1314570",
"created_at": "2022-09-04T14:43:41.358020Z",
"structure_string": "Li8 Co4 O12\n1.0\n2.345445 3.997463 2.052742\n-7.345584 4.198449 0.028091\n-0.134819 -0.195414 5.126181\nLi Co O\n8 4 12\ndirect\n0.502299 0.335727 0.500841 Li\n0.998225 0.831193 0.499265 Li\n0.500029 0.832144 0.005891 Li\n0.999441 0.334532 0.993697 Li\n0.496042 0.668094 0.496861 Li\n0.999961 0.172946 0.499245 Li\n0.500153 0.993740 0.500640 Li\n0.003386 0.498287 0.503232 Li\n0.997216 0.005319 0.002876 Co\n0.503194 0.161486 0.996837 Co\n0.498690 0.504080 0.989808 Co\n0.001332 0.662580 0.010667 Co\n0.779913 0.836878 0.231581 O\n0.296661 0.334744 0.215753 O\n0.203582 0.831955 0.784259 O\n0.720578 0.329666 0.768172 O\n0.745838 0.152965 0.216819 O\n0.262739 0.653316 0.231198 O\n0.241783 0.015597 0.220985 O\n0.771739 0.515578 0.231779 O\n0.258486 0.151311 0.778774 O\n0.727643 0.650864 0.768288 O\n0.754358 0.013569 0.783016 O\n0.236719 0.513430 0.769516 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.912374440123691,
"density_atomic": 0.11701121183984536,
"volume": 205.1085500494524,
"volume_molar": 5.146635664488779,
"formula_full": "Li8 Co4 O12",
"formula_reduced": "Li2CoO3",
"formula_anonymous": "AB2C3",
"energy": -145.1107721,
"energy_per_atom": -6.046282170833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.3147721,
"band_gap": 0.7738,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.842000Z",
"spacegroup": 2
},
{
"id": "mp-634326",
"created_at": "2022-09-04T14:41:27.389642Z",
"structure_string": "Ga4 H4 O8\n1.0\n3.016721 0.000000 0.000000\n0.000000 4.567770 0.000000\n0.000000 0.000000 9.922791\nGa H O\n4 4 8\ndirect\n0.250000 0.448699 0.355038 Ga\n0.250000 0.051301 0.855038 Ga\n0.750000 0.551301 0.644962 Ga\n0.750000 0.948699 0.144962 Ga\n0.250000 0.094631 0.587953 H\n0.250000 0.405369 0.087953 H\n0.750000 0.905369 0.412047 H\n0.750000 0.594631 0.912047 H\n0.250000 0.800563 0.694167 O\n0.250000 0.699437 0.194167 O\n0.750000 0.199437 0.305833 O\n0.750000 0.300563 0.805833 O\n0.250000 0.304397 0.555165 O\n0.250000 0.195603 0.055165 O\n0.750000 0.695603 0.444835 O\n0.750000 0.804397 0.944835 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"H",
"O"
],
"chemical_system": "Ga-H-O",
"density": 4.990362102292154,
"density_atomic": 0.11701640842762152,
"volume": 136.73296091544736,
"volume_molar": 5.146407107277516,
"formula_full": "Ga4 H4 O8",
"formula_reduced": "GaHO2",
"formula_anonymous": "ABC2",
"energy": -95.65418678,
"energy_per_atom": -5.97838667375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.15818678,
"band_gap": 3.2607000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00136,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.264000Z",
"spacegroup": 62
},
{
"id": "mp-624889",
"created_at": "2022-09-04T14:46:25.902951Z",
"structure_string": "C8\n1.0\n2.459909 -2.558498 0.000000\n2.459909 2.558498 0.000000\n0.000000 0.000000 5.431344\nC\n8\ndirect\n0.250000 0.250000 0.130661 C\n0.891782 0.391782 0.763364 C\n0.750000 0.750000 0.130661 C\n0.250000 0.250000 0.869339 C\n0.750000 0.750000 0.869339 C\n0.608218 0.108218 0.763364 C\n0.108218 0.608218 0.236636 C\n0.391782 0.891782 0.236636 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.333812570762009,
"density_atomic": 0.1170168917169127,
"volume": 68.36619809859249,
"volume_molar": 5.146385852197105,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -63.78070005,
"energy_per_atom": -7.97258750625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.78070005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.316000Z",
"spacegroup": 67
}
]
}