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=formation_energy_per_atom&page=12097",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12095",
"results": [
{
"id": "mp-1041643",
"created_at": "2022-09-04T14:48:07.575431Z",
"structure_string": "Al1 Sb1 W2 O8\n1.0\n4.473179 0.277273 -2.390984\n-0.730983 4.777855 -2.385621\n-0.167582 -0.149772 6.838279\nAl Sb W O\n1 1 2 8\ndirect\n0.628976 0.770438 0.055924 Al\n0.149468 0.301230 0.152049 Sb\n0.896430 0.400126 0.631571 W\n0.404803 0.988012 0.574934 W\n0.216848 0.673740 0.895880 O\n0.559769 0.597651 0.438732 O\n0.141441 0.118414 0.733633 O\n0.572554 0.049581 0.344091 O\n0.652536 0.928924 0.881579 O\n0.012027 0.713272 0.268624 O\n0.100635 0.255722 0.417136 O\n0.660512 0.381391 0.801944 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Al",
"Sb",
"W",
"O"
],
"chemical_system": "Al-O-Sb-W",
"density": 7.4377442100544675,
"density_atomic": 0.08340778239114821,
"volume": 143.8714668581516,
"volume_molar": 7.220118539728866,
"formula_full": "Al1 Sb1 W2 O8",
"formula_reduced": "AlSb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -99.32178661,
"energy_per_atom": -8.276815550833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.94978661,
"band_gap": 1.6134000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.693000Z",
"spacegroup": 1
},
{
"id": "mp-1183133",
"created_at": "2022-09-04T14:48:07.595227Z",
"structure_string": "Al1 Ir1 O3\n1.0\n3.664087 0.000000 0.000000\n0.000000 3.664087 0.000000\n0.000000 0.000000 3.664087\nAl Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Ir",
"O"
],
"chemical_system": "Al-Ir-O",
"density": 9.019509478935857,
"density_atomic": 0.10164187626629342,
"volume": 49.1923229250551,
"volume_molar": 5.924861859321136,
"formula_full": "Al1 Ir1 O3",
"formula_reduced": "AlIrO3",
"formula_anonymous": "ABC3",
"energy": -33.43165328,
"energy_per_atom": -6.686330656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.37065328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0371911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.746000Z",
"spacegroup": 221
},
{
"id": "mp-1182082",
"created_at": "2022-09-04T14:48:07.599481Z",
"structure_string": "Ca2 Al2 O4 F8\n1.0\n4.977718 0.000000 0.000000\n-2.204409 6.445948 0.000000\n-0.465845 -1.179461 6.946652\nCa Al O F\n2 2 4 8\ndirect\n0.645470 0.641367 0.767137 Ca\n0.354530 0.358633 0.232863 Ca\n0.012234 0.207288 0.702215 Al\n0.987766 0.792712 0.297785 Al\n0.180671 0.728758 0.783990 O\n0.819329 0.271242 0.216010 O\n0.870255 0.011132 0.455671 O\n0.129745 0.988868 0.544329 O\n0.778529 0.348617 0.718221 F\n0.221471 0.651383 0.281779 F\n0.805583 0.000887 0.815861 F\n0.194417 0.999113 0.184139 F\n0.274086 0.330299 0.903225 F\n0.725914 0.669701 0.096775 F\n0.751257 0.614058 0.438109 F\n0.248743 0.385942 0.561891 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Al",
"O",
"F"
],
"chemical_system": "Al-Ca-F-O",
"density": 2.6082752465622243,
"density_atomic": 0.07178395010362422,
"volume": 222.89104983639226,
"volume_molar": 8.389257976618307,
"formula_full": "Ca2 Al2 O4 F8",
"formula_reduced": "CaAl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy": -91.64312731,
"energy_per_atom": -5.727695456875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.30312731,
"band_gap": 0.252,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9974885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.172000Z",
"spacegroup": 2
},
{
"id": "mp-1021374",
"created_at": "2022-09-04T14:48:07.606169Z",
"structure_string": "Mg6 Ti1 C1\n1.0\n4.842009 -5.227078 0.000000\n4.842009 5.227078 0.000000\n0.000000 0.000000 3.214523\nMg Ti C\n6 1 1\ndirect\n0.774788 0.538965 0.000000 Mg\n0.461035 0.225212 0.000000 Mg\n0.344465 0.655535 0.000000 Mg\n0.626632 0.883377 0.500000 Mg\n0.116623 0.373368 0.500000 Mg\n0.097660 0.902340 0.500000 Mg\n0.848070 0.151930 0.000000 Ti\n0.730728 0.269272 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"C"
],
"chemical_system": "C-Mg-Ti",
"density": 2.0992711605463454,
"density_atomic": 0.049165321187636606,
"volume": 162.71631724866523,
"volume_molar": 12.248757080253476,
"formula_full": "Mg6 Ti1 C1",
"formula_reduced": "Mg6TiC",
"formula_anonymous": "ABC6",
"energy": -25.30230882,
"energy_per_atom": -3.1627886025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.30230882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.828000Z",
"spacegroup": 38
},
{
"id": "mp-634381",
"created_at": "2022-09-04T14:48:07.624366Z",
"structure_string": "V2 Zn2 O7\n1.0\n4.342275 3.248651 0.000000\n-4.342275 3.248651 0.000000\n0.000000 1.209996 4.933136\nV Zn O\n2 2 7\ndirect\n0.756766 0.756766 0.895352 V\n0.243234 0.243234 0.104648 V\n0.315045 0.684955 0.500000 Zn\n0.684955 0.315045 0.500000 Zn\n0.571456 0.571456 0.222273 O\n0.428544 0.428544 0.777727 O\n0.389616 0.054683 0.294099 O\n0.945317 0.610384 0.705901 O\n0.000000 0.000000 0.000000 O\n0.054683 0.389616 0.294099 O\n0.610384 0.945317 0.705901 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.1125660188616,
"density_atomic": 0.0790349565323198,
"volume": 139.17892136123038,
"volume_molar": 7.619591411475456,
"formula_full": "V2 Zn2 O7",
"formula_reduced": "V2Zn2O7",
"formula_anonymous": "A2B2C7",
"energy": -78.85935254,
"energy_per_atom": -7.16903204909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.65035254,
"band_gap": 2.0131,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.391000Z",
"spacegroup": 12
},
{
"id": "mp-1084762",
"created_at": "2022-09-04T14:48:07.633512Z",
"structure_string": "Mn1 Re1 Pb2 O6\n1.0\n-4.080321 -4.080398 -0.000358\n-4.080625 -0.000055 -4.080770\n-0.000070 -4.080687 -4.080755\nMn Re Pb O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n0.249965 0.250012 0.250009 Pb\n0.750035 0.749988 0.749991 Pb\n0.763602 0.236418 0.236417 O\n0.763592 0.236424 0.763559 O\n0.763600 0.763563 0.236416 O\n0.236398 0.763582 0.763583 O\n0.236408 0.763576 0.236441 O\n0.236400 0.236437 0.763584 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Re",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb-Re",
"density": 9.183918226577635,
"density_atomic": 0.07359121532930624,
"volume": 135.88578412860778,
"volume_molar": 8.183233193054502,
"formula_full": "Mn1 Re1 Pb2 O6",
"formula_reduced": "MnRe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -76.72523508,
"energy_per_atom": -7.672523508,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.93523508,
"band_gap": 0.1757999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9893583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.657000Z",
"spacegroup": 225
},
{
"id": "mp-2331",
"created_at": "2022-09-04T14:48:07.649117Z",
"structure_string": "B4 Mo2\n1.0\n7.043048 -1.513979 0.000000\n7.043048 1.513979 0.000000\n6.717602 0.000000 2.602016\nB Mo\n4 2\ndirect\n0.667804 0.667804 0.667804 B\n0.332196 0.332196 0.332196 B\n0.818437 0.818437 0.818437 B\n0.181563 0.181563 0.181563 B\n0.924419 0.924419 0.924419 Mo\n0.075581 0.075581 0.075581 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 7.035996278697895,
"density_atomic": 0.10812616319507413,
"volume": 55.49073251748694,
"volume_molar": 5.569550034930259,
"formula_full": "B4 Mo2",
"formula_reduced": "B2Mo",
"formula_anonymous": "AB2",
"energy": -50.99919303,
"energy_per_atom": -8.499865505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.99919303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.344000Z",
"spacegroup": 166
},
{
"id": "mp-1185509",
"created_at": "2022-09-04T14:48:07.651783Z",
"structure_string": "Lu1 Al1 Cu2\n1.0\n0.000000 3.155872 3.155872\n3.155872 0.000000 3.155872\n3.155872 3.155872 0.000000\nLu Al Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Lu",
"density": 8.691812888790833,
"density_atomic": 0.0636314551595125,
"volume": 62.86199160419523,
"volume_molar": 9.464094047360048,
"formula_full": "Lu1 Al1 Cu2",
"formula_reduced": "LuAlCu2",
"formula_anonymous": "ABC2",
"energy": -17.96087576,
"energy_per_atom": -4.49021894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.96087576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.304000Z",
"spacegroup": 225
},
{
"id": "mp-9144",
"created_at": "2022-09-04T14:48:07.727211Z",
"structure_string": "Li1 As1 F6\n1.0\n4.685004 -2.571208 0.000000\n4.685004 2.571208 0.000000\n3.273883 0.000000 4.223987\nLi As F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 As\n0.226666 0.872515 0.670632 F\n0.670632 0.226666 0.872515 F\n0.872515 0.670632 0.226666 F\n0.329368 0.773334 0.127485 F\n0.127485 0.329368 0.773334 F\n0.773334 0.127485 0.329368 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"As",
"F"
],
"chemical_system": "As-F-Li",
"density": 3.1958002254537847,
"density_atomic": 0.0786122527343639,
"volume": 101.76530657418685,
"volume_molar": 7.660562508428833,
"formula_full": "Li1 As1 F6",
"formula_reduced": "LiAsF6",
"formula_anonymous": "ABC6",
"energy": -39.60589926,
"energy_per_atom": -4.9507374075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.83389926,
"band_gap": 5.1404,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.309000Z",
"spacegroup": 148
},
{
"id": "mp-1208735",
"created_at": "2022-09-04T14:48:07.591196Z",
"structure_string": "Sr4 Al8 H24 C8 O44\n1.0\n5.651240 0.000000 0.000000\n0.000000 9.165822 0.000000\n0.000000 0.000000 16.181380\nSr Al H C O\n4 8 24 8 44\ndirect\n0.250000 0.475585 0.414205 Sr\n0.750000 0.524415 0.585795 Sr\n0.750000 0.975585 0.085795 Sr\n0.250000 0.024415 0.914205 Sr\n0.501830 0.172264 0.295810 Al\n0.498170 0.827736 0.704190 Al\n0.498170 0.672264 0.204190 Al\n0.001830 0.827736 0.704190 Al\n0.501830 0.327736 0.795810 Al\n0.998170 0.172264 0.295810 Al\n0.998170 0.327736 0.795810 Al\n0.001830 0.672264 0.204190 Al\n0.250000 0.869666 0.280689 H\n0.750000 0.130334 0.719311 H\n0.750000 0.369666 0.219311 H\n0.250000 0.630334 0.780689 H\n0.110825 0.341155 0.029935 H\n0.889175 0.658845 0.970065 H\n0.889175 0.841155 0.470065 H\n0.610825 0.658845 0.970065 H\n0.110825 0.158845 0.529935 H\n0.389175 0.341155 0.029935 H\n0.389175 0.158845 0.529935 H\n0.610825 0.841155 0.470065 H\n0.250000 0.033929 0.394447 H\n0.750000 0.966071 0.605553 H\n0.750000 0.533929 0.105553 H\n0.250000 0.466071 0.894447 H\n0.250000 0.387950 0.243686 H\n0.750000 0.612050 0.756314 H\n0.750000 0.887950 0.256314 H\n0.250000 0.112050 0.743686 H\n0.250000 0.483808 0.132140 H\n0.750000 0.516192 0.867860 H\n0.750000 0.983808 0.367860 H\n0.250000 0.016192 0.632140 H\n0.250000 0.081518 0.145969 C\n0.750000 0.918482 0.854031 C\n0.750000 0.581518 0.354031 C\n0.250000 0.418482 0.645969 C\n0.250000 0.748325 0.050445 C\n0.750000 0.251675 0.949555 C\n0.750000 0.248325 0.449555 C\n0.250000 0.751675 0.550445 C\n0.250000 0.305862 0.285430 O\n0.750000 0.694138 0.714570 O\n0.750000 0.805862 0.214570 O\n0.250000 0.194138 0.785430 O\n0.250000 0.786738 0.241723 O\n0.750000 0.213262 0.758277 O\n0.750000 0.286738 0.258277 O\n0.250000 0.713262 0.741723 O\n0.250000 0.045545 0.069078 O\n0.750000 0.954455 0.930922 O\n0.750000 0.545545 0.430922 O\n0.250000 0.454455 0.569078 O\n0.049674 0.098303 0.184370 O\n0.950326 0.901697 0.815630 O\n0.950326 0.598303 0.315630 O\n0.549674 0.901697 0.815630 O\n0.049674 0.401697 0.684370 O\n0.450326 0.098303 0.184370 O\n0.450326 0.401697 0.684370 O\n0.549674 0.598303 0.315630 O\n0.548214 0.240150 0.409443 O\n0.451786 0.759850 0.590557 O\n0.451786 0.740150 0.090557 O\n0.048214 0.759850 0.590557 O\n0.548214 0.259850 0.909443 O\n0.951786 0.240150 0.409443 O\n0.951786 0.259850 0.909443 O\n0.048214 0.740150 0.090557 O\n0.250000 0.402654 0.040868 O\n0.750000 0.597346 0.959132 O\n0.750000 0.902654 0.459132 O\n0.250000 0.097346 0.540868 O\n0.250000 0.533512 0.187702 O\n0.750000 0.466488 0.812298 O\n0.750000 0.033512 0.312298 O\n0.250000 0.966488 0.687702 O\n0.250000 0.735308 0.472230 O\n0.750000 0.264692 0.527770 O\n0.750000 0.235308 0.027770 O\n0.250000 0.764692 0.972230 O\n0.250000 0.046338 0.334342 O\n0.750000 0.953662 0.665658 O\n0.750000 0.546338 0.165658 O\n0.250000 0.453662 0.834342 O\n",
"nsites": 88,
"nelements": 5,
"elements": [
"Sr",
"Al",
"H",
"C",
"O"
],
"chemical_system": "Al-C-H-O-Sr",
"density": 2.7549580804652765,
"density_atomic": 0.10499096917228526,
"volume": 838.1673270926391,
"volume_molar": 5.73586548202822,
"formula_full": "Sr4 Al8 H24 C8 O44",
"formula_reduced": "SrAl2H6C2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -600.6768929699999,
"energy_per_atom": -6.825873783749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -570.44889297,
"band_gap": 5.103899999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.792000Z",
"spacegroup": 62
},
{
"id": "mp-1206591",
"created_at": "2022-09-04T14:48:07.597996Z",
"structure_string": "Cr1 Sn1 Ru2\n1.0\n-3.120298 -3.120298 0.000000\n-3.120298 0.000000 -3.120298\n0.000000 -3.120298 -3.120298\nCr Sn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Sn",
"Ru"
],
"chemical_system": "Cr-Ru-Sn",
"density": 10.189678658274302,
"density_atomic": 0.06583271671663107,
"volume": 60.760062769663804,
"volume_molar": 9.147641264633771,
"formula_full": "Cr1 Sn1 Ru2",
"formula_reduced": "CrSnRu2",
"formula_anonymous": "ABC2",
"energy": -32.48768661,
"energy_per_atom": -8.1219216525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48768661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0190708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.164000Z",
"spacegroup": 225
},
{
"id": "mp-25923",
"created_at": "2022-09-04T14:48:07.598942Z",
"structure_string": "Li6 Mn9 P8 O32\n1.0\n9.285547 0.000000 0.000000\n-3.275083 8.302516 0.000000\n-1.778706 -2.608501 8.535782\nLi Mn P O\n6 9 8 32\ndirect\n0.024122 0.120553 0.361028 Li\n0.268514 0.767923 0.039504 Li\n0.359982 0.313998 0.313595 Li\n0.640018 0.686002 0.686405 Li\n0.731486 0.232077 0.960496 Li\n0.975878 0.879447 0.638972 Li\n0.000000 0.500000 0.500000 Mn\n0.043365 0.302951 0.796596 Mn\n0.422818 0.867336 0.716579 Mn\n0.000000 0.000000 0.000000 Mn\n0.466843 0.717801 0.319091 Mn\n0.500000 0.500000 0.000000 Mn\n0.533157 0.282199 0.680909 Mn\n0.577182 0.132664 0.283421 Mn\n0.956635 0.697049 0.203404 Mn\n0.713098 0.024030 0.600367 P\n0.900589 0.604471 0.834640 P\n0.718725 0.537913 0.341040 P\n0.661087 0.887866 0.045240 P\n0.338913 0.112134 0.954760 P\n0.281275 0.462087 0.658960 P\n0.099411 0.395529 0.165360 P\n0.286902 0.975970 0.399633 P\n0.885125 0.046974 0.685209 O\n0.971651 0.310099 0.999251 O\n0.962424 0.497501 0.727559 O\n0.669694 0.067169 0.098460 O\n0.715191 0.070584 0.446926 O\n0.881468 0.694331 0.435082 O\n0.742202 0.386365 0.384541 O\n0.657623 0.129671 0.716882 O\n0.834238 0.894985 0.104789 O\n0.114875 0.953026 0.314791 O\n0.028349 0.689901 0.000749 O\n0.037576 0.502499 0.272441 O\n0.330306 0.932831 0.901540 O\n0.284809 0.929416 0.553074 O\n0.118532 0.305669 0.564918 O\n0.257798 0.613635 0.615459 O\n0.342377 0.870329 0.283118 O\n0.165762 0.105015 0.895211 O\n0.116203 0.250938 0.228191 O\n0.292499 0.475119 0.836304 O\n0.266596 0.510021 0.153086 O\n0.599987 0.818223 0.864804 O\n0.436480 0.456711 0.629006 O\n0.587790 0.836217 0.561692 O\n0.456343 0.238440 0.886665 O\n0.543657 0.761560 0.113335 O\n0.412210 0.163783 0.438308 O\n0.563520 0.543289 0.370994 O\n0.400013 0.181777 0.135196 O\n0.733404 0.489979 0.846914 O\n0.707501 0.524881 0.163696 O\n0.883797 0.749062 0.771809 O\n",
"nsites": 55,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.269989958382476,
"density_atomic": 0.08357996036009534,
"volume": 658.0524776876941,
"volume_molar": 7.205244814731006,
"formula_full": "Li6 Mn9 P8 O32",
"formula_reduced": "Li6Mn9(PO4)8",
"formula_anonymous": "A6B8C9D32",
"energy": -436.67209796,
"energy_per_atom": -7.939492690181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -399.67609796,
"band_gap": 2.6601,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.0003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.557000Z",
"spacegroup": 2
}
]
}