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=10220",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=10218",
"results": [
{
"id": "mp-1177698",
"created_at": "2022-09-04T14:45:32.486792Z",
"structure_string": "Li12 Mn8 P16 O56\n1.0\n9.859365 0.000000 0.000000\n0.074187 9.872308 0.000000\n0.089765 2.603619 11.035241\nLi Mn P O\n12 8 16 56\ndirect\n0.719476 0.121481 0.549041 Li\n0.408597 0.185176 0.443138 Li\n0.103654 0.087231 0.971165 Li\n0.400647 0.146647 0.960579 Li\n0.608915 0.411648 0.029973 Li\n0.954293 0.377145 0.503900 Li\n0.050177 0.631082 0.489728 Li\n0.395245 0.586813 0.970846 Li\n0.098339 0.648331 0.963501 Li\n0.891469 0.913169 0.028841 Li\n0.592504 0.815362 0.556353 Li\n0.276196 0.882150 0.447319 Li\n0.924540 0.200101 0.324817 Mn\n0.215280 0.251005 0.177755 Mn\n0.717550 0.247326 0.829018 Mn\n0.423996 0.299371 0.669443 Mn\n0.577767 0.702493 0.325970 Mn\n0.286608 0.747074 0.178489 Mn\n0.780870 0.741590 0.831284 Mn\n0.073349 0.801739 0.671481 Mn\n0.454181 0.018599 0.246526 P\n0.710969 0.120873 0.120498 P\n0.926927 0.062066 0.755984 P\n0.145881 0.122419 0.573999 P\n0.647691 0.381894 0.419444 P\n0.430637 0.435662 0.241609 P\n0.041501 0.514565 0.250605 P\n0.209868 0.380297 0.888553 P\n0.788411 0.621367 0.116166 P\n0.958690 0.484292 0.747600 P\n0.570840 0.561209 0.756488 P\n0.354206 0.621157 0.576439 P\n0.851859 0.880423 0.422168 P\n0.071193 0.934448 0.242133 P\n0.290926 0.880490 0.885618 P\n0.546679 0.978361 0.753043 P\n0.407228 0.023953 0.373055 O\n0.839358 0.036009 0.430183 O\n0.087252 0.079861 0.269235 O\n0.362276 0.096168 0.143960 O\n0.597825 0.093917 0.230016 O\n0.824335 0.192322 0.175976 O\n0.643767 0.223240 0.009818 O\n0.269955 0.021363 0.913112 O\n0.073508 0.120839 0.701772 O\n0.933100 0.065318 0.888388 O\n0.526009 0.130346 0.775705 O\n0.286418 0.182869 0.582295 O\n0.817076 0.162764 0.690560 O\n0.053803 0.207337 0.475789 O\n0.561451 0.283329 0.516918 O\n0.328869 0.326992 0.307560 O\n0.790525 0.319765 0.418506 O\n0.028644 0.362174 0.229758 O\n0.580101 0.378300 0.292043 O\n0.434986 0.437966 0.107998 O\n0.758950 0.487750 0.081709 O\n0.156140 0.269391 0.997565 O\n0.334382 0.319191 0.834946 O\n0.099175 0.400496 0.781865 O\n0.586099 0.417092 0.725302 O\n0.849464 0.408848 0.832273 O\n0.068290 0.513382 0.381140 O\n0.346949 0.469538 0.566460 O\n0.650896 0.534213 0.429577 O\n0.945220 0.494618 0.614184 O\n0.140583 0.593117 0.154058 O\n0.414130 0.579720 0.271891 O\n0.898322 0.592341 0.224793 O\n0.672436 0.690590 0.172621 O\n0.858330 0.725546 0.006980 O\n0.229084 0.520139 0.918153 O\n0.563251 0.557371 0.890017 O\n0.423571 0.623139 0.703755 O\n0.974301 0.634464 0.777061 O\n0.212682 0.686787 0.580833 O\n0.675112 0.670408 0.694224 O\n0.440935 0.718383 0.478502 O\n0.943686 0.795043 0.520140 O\n0.178060 0.831912 0.310380 O\n0.710618 0.821516 0.416492 O\n0.471227 0.864312 0.232065 O\n0.067897 0.931712 0.109401 O\n0.923210 0.879505 0.294621 O\n0.743350 0.984601 0.091278 O\n0.343919 0.770650 0.995503 O\n0.167496 0.818977 0.833414 O\n0.403396 0.899149 0.777369 O\n0.647821 0.901390 0.846156 O\n0.912851 0.915611 0.729654 O\n0.160505 0.967231 0.566163 O\n0.581095 0.981465 0.622032 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9595070440235682,
"density_atomic": 0.08565216879196941,
"volume": 1074.111739347174,
"volume_molar": 7.0309261807794705,
"formula_full": "Li12 Mn8 P16 O56",
"formula_reduced": "Li3Mn2(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -699.4050468,
"energy_per_atom": -7.602228769565218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -647.5890468,
"band_gap": 0.2032,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.594000Z",
"spacegroup": 1
},
{
"id": "mp-1191912",
"created_at": "2022-09-04T14:45:31.136352Z",
"structure_string": "Na1 Tl3 Cu4 Te2 O12\n1.0\n4.743888 6.577580 0.000000\n-4.743888 6.577580 0.000000\n0.000000 1.346784 5.141564\nNa Tl Cu Te O\n1 3 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.748860 0.251140 0.500000 Tl\n0.251140 0.748860 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.073140 0.400563 0.743902 Cu\n0.400563 0.073140 0.743902 Cu\n0.926860 0.599437 0.256098 Cu\n0.599437 0.926860 0.256098 Cu\n0.213802 0.213802 0.239475 Te\n0.786198 0.786198 0.760525 Te\n0.991416 0.292744 0.097955 O\n0.292744 0.991416 0.097955 O\n0.008584 0.707256 0.902045 O\n0.707256 0.008584 0.902045 O\n0.159964 0.448390 0.353962 O\n0.448390 0.159964 0.353962 O\n0.840036 0.551610 0.646038 O\n0.551610 0.840036 0.646038 O\n0.305098 0.305098 0.868643 O\n0.694902 0.694902 0.131357 O\n0.113711 0.113711 0.569410 O\n0.886289 0.886289 0.430590 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Tl",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Na-O-Te-Tl",
"density": 6.921853895071715,
"density_atomic": 0.06856411474982822,
"volume": 320.8675570343467,
"volume_molar": 8.783225426264382,
"formula_full": "Na1 Tl3 Cu4 Te2 O12",
"formula_reduced": "NaTl3Cu4(TeO6)2",
"formula_anonymous": "AB2C3D4E12",
"energy": -117.62790339,
"energy_per_atom": -5.346722881363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.38390339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0029324,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.436000Z",
"spacegroup": 12
},
{
"id": "mp-977540",
"created_at": "2022-09-04T14:45:31.164869Z",
"structure_string": "Ca1 Bi1 Pd2\n1.0\n0.000000 3.477124 3.477124\n3.477124 0.000000 3.477124\n3.477124 3.477124 0.000000\nCa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Pd"
],
"chemical_system": "Bi-Ca-Pd",
"density": 9.122314141938148,
"density_atomic": 0.04757397716785752,
"volume": 84.07957959635391,
"volume_molar": 12.658476584271682,
"formula_full": "Ca1 Bi1 Pd2",
"formula_reduced": "CaBiPd2",
"formula_anonymous": "ABC2",
"energy": -18.7000933,
"energy_per_atom": -4.675023325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.7000933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016785,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.233000Z",
"spacegroup": 225
},
{
"id": "mp-677191",
"created_at": "2022-09-04T14:45:31.173043Z",
"structure_string": "Ba1 La1 Zn1 Ru1 O6\n1.0\n-2.828816 2.828816 4.116566\n2.828816 -2.828816 4.116566\n2.828816 2.828816 -4.116566\nBa La Zn Ru O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Ru\n0.007399 0.507399 0.500000 O\n0.976347 0.960795 0.397135 O\n0.039205 0.436340 0.015552 O\n0.492601 0.992601 0.500000 O\n0.420788 0.023653 0.984448 O\n0.563660 0.579212 0.602865 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Zn",
"Ru",
"O"
],
"chemical_system": "Ba-La-O-Ru-Zn",
"density": 6.788877060330962,
"density_atomic": 0.07589191758749796,
"volume": 131.76633715271083,
"volume_molar": 7.935154297632423,
"formula_full": "Ba1 La1 Zn1 Ru1 O6",
"formula_reduced": "BaLaZnRuO6",
"formula_anonymous": "ABCDE6",
"energy": -71.75995478,
"energy_per_atom": -7.175995478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.63795478,
"band_gap": 0.4756,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.990556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.567000Z",
"spacegroup": 82
},
{
"id": "mp-1185930",
"created_at": "2022-09-04T14:45:31.212487Z",
"structure_string": "Mn6 Sb2\n1.0\n2.707053 -4.688753 0.000000\n2.707053 4.688753 0.000000\n0.000000 0.000000 4.344706\nMn Sb\n6 2\ndirect\n0.152957 0.305913 0.250000 Mn\n0.694087 0.847043 0.250000 Mn\n0.152957 0.847043 0.250000 Mn\n0.847043 0.694087 0.750000 Mn\n0.305913 0.152957 0.750000 Mn\n0.847043 0.152957 0.750000 Mn\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.629220772609004,
"density_atomic": 0.07253464400717928,
"volume": 110.29212467366878,
"volume_molar": 8.30243374380378,
"formula_full": "Mn6 Sb2",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
"energy": -62.87409099,
"energy_per_atom": -7.85926137375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.49009099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.4823929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.801000Z",
"spacegroup": 194
},
{
"id": "mp-20810",
"created_at": "2022-09-04T14:45:31.214182Z",
"structure_string": "Ca2 Pd1 W1 O6\n1.0\n-2.817586 3.051438 4.064607\n2.817586 -3.051438 4.064607\n2.817586 3.051438 -4.064607\nCa Pd W O\n2 1 1 6\ndirect\n0.827365 0.251517 0.575848 Ca\n0.324331 0.748483 0.575848 Ca\n0.483975 0.500000 0.983975 Pd\n0.974667 0.000000 0.974667 W\n0.194801 0.237497 0.957304 O\n0.719808 0.762503 0.957304 O\n0.180077 0.743249 0.923326 O\n0.180077 0.256751 0.436829 O\n0.722451 0.777212 0.499663 O\n0.722451 0.222788 0.945239 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Pd",
"W",
"O"
],
"chemical_system": "Ca-O-Pd-W",
"density": 5.54062685174797,
"density_atomic": 0.07153848141986074,
"volume": 139.7849073886515,
"volume_molar": 8.418043884180234,
"formula_full": "Ca2 Pd1 W1 O6",
"formula_reduced": "Ca2PdWO6",
"formula_anonymous": "ABC2D6",
"energy": -74.0516123,
"energy_per_atom": -7.40516123,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.4916123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.932000Z",
"spacegroup": 44
},
{
"id": "mp-18983",
"created_at": "2022-09-04T14:45:31.225218Z",
"structure_string": "Er4 Ni4 O12\n1.0\n5.164954 0.000000 0.000000\n0.000000 5.659325 0.000000\n0.000000 0.000000 7.373323\nEr Ni O\n4 4 12\ndirect\n0.476372 0.415912 0.750000 Er\n0.023628 0.915912 0.750000 Er\n0.523628 0.584088 0.250000 Er\n0.976372 0.084088 0.250000 Er\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.695618 0.313962 0.446071 O\n0.804382 0.813962 0.053929 O\n0.304382 0.686038 0.553929 O\n0.195618 0.186038 0.946071 O\n0.195618 0.186038 0.553929 O\n0.304382 0.686038 0.946071 O\n0.804382 0.813962 0.446071 O\n0.695618 0.313962 0.053929 O\n0.111990 0.465488 0.250000 O\n0.388010 0.965488 0.250000 O\n0.888010 0.534512 0.750000 O\n0.611990 0.034512 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Ni",
"O"
],
"chemical_system": "Er-Ni-O",
"density": 8.442809545281175,
"density_atomic": 0.09279736476051767,
"volume": 215.52336159129126,
"volume_molar": 6.489560102855668,
"formula_full": "Er4 Ni4 O12",
"formula_reduced": "ErNiO3",
"formula_anonymous": "ABC3",
"energy": -151.11811122,
"energy_per_atom": -7.555905561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.71011122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9996463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.031000Z",
"spacegroup": 62
},
{
"id": "mp-5505",
"created_at": "2022-09-04T14:45:31.242218Z",
"structure_string": "U2 Te1 N2\n1.0\n-1.940164 1.940164 6.326292\n1.940164 -1.940164 6.326292\n1.940164 1.940164 -6.326292\nU Te N\n2 1 2\ndirect\n0.340617 0.340617 0.000000 U\n0.659383 0.659383 0.000000 U\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Te",
"N"
],
"chemical_system": "N-Te-U",
"density": 11.01169259038692,
"density_atomic": 0.05249088505890433,
"volume": 95.25463314990955,
"volume_molar": 11.47273617741835,
"formula_full": "U2 Te1 N2",
"formula_reduced": "U2TeN2",
"formula_anonymous": "AB2C2",
"energy": -50.26048428,
"energy_per_atom": -10.052096856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.11648428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9966829,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.154000Z",
"spacegroup": 139
},
{
"id": "mp-21019",
"created_at": "2022-09-04T14:45:31.650434Z",
"structure_string": "Cr4 Fe2 S8\n1.0\n0.000000 5.005114 5.005114\n5.005114 0.000000 5.005114\n5.005114 5.005114 0.000000\nCr Fe S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n0.883423 0.349730 0.883423 S\n0.366577 0.366577 0.900270 S\n0.366577 0.366577 0.366576 S\n0.900270 0.366577 0.366576 S\n0.883423 0.883423 0.883423 S\n0.349730 0.883424 0.883423 S\n0.366577 0.900270 0.366577 S\n0.883423 0.883423 0.349730 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"S"
],
"chemical_system": "Cr-Fe-S",
"density": 3.8154539274450325,
"density_atomic": 0.055828520498000224,
"volume": 250.76788485737285,
"volume_molar": 10.786853576418372,
"formula_full": "Cr4 Fe2 S8",
"formula_reduced": "Cr2FeS4",
"formula_anonymous": "AB2C4",
"energy": -100.48885726,
"energy_per_atom": -7.177775518571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.46485726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.609000Z",
"spacegroup": 227
},
{
"id": "mp-756819",
"created_at": "2022-09-04T14:45:31.173847Z",
"structure_string": "Ba1 V8 O16\n1.0\n5.780193 0.000000 0.000000\n1.443606 7.255145 0.000000\n1.446462 0.000694 7.257876\nBa V O\n1 8 16\ndirect\n0.212318 0.000081 0.000555 Ba\n0.081285 0.185132 0.481725 V\n0.583952 0.181953 0.474310 V\n0.322877 0.517282 0.184992 V\n0.820485 0.526730 0.181834 V\n0.175066 0.481850 0.815235 V\n0.673963 0.474007 0.817806 V\n0.415411 0.815532 0.516841 V\n0.911150 0.817438 0.527112 V\n0.395044 0.044651 0.353212 O\n0.901262 0.043610 0.354906 O\n0.079592 0.374395 0.293785 O\n0.581189 0.377621 0.296213 O\n0.077572 0.647288 0.044087 O\n0.572465 0.644594 0.043965 O\n0.269193 0.294494 0.625466 O\n0.767296 0.295192 0.622732 O\n0.226414 0.706110 0.374608 O\n0.729856 0.704197 0.377006 O\n0.417378 0.353219 0.956128 O\n0.923220 0.354722 0.955853 O\n0.416143 0.625895 0.705205 O\n0.915594 0.622185 0.704782 O\n0.594447 0.955984 0.644285 O\n0.099405 0.955838 0.647357 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 4.369200469509489,
"density_atomic": 0.08213760366536167,
"volume": 304.3672920122306,
"volume_molar": 7.331770700950706,
"formula_full": "Ba1 V8 O16",
"formula_reduced": "BaV8O16",
"formula_anonymous": "AB8C16",
"energy": -218.24524799,
"energy_per_atom": -8.7298099196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.65324799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.728000Z",
"spacegroup": 1
},
{
"id": "mp-1206274",
"created_at": "2022-09-04T14:45:31.177284Z",
"structure_string": "K1 Nd3 O6\n1.0\n-5.615127 -9.725685 0.000000\n-3.585194 8.553702 0.000000\n0.000000 0.000000 -44.707771\nK Nd O\n1 3 6\ndirect\n-0.000000 -0.000000 0.000000 K\n-0.000000 -0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n-0.000000 0.500000 0.000000 Nd\n-0.000000 -0.000000 0.769131 O\n-0.000000 -0.000000 0.230869 O\n0.714595 0.732369 -0.000000 O\n0.285405 0.267631 0.000000 O\n0.982226 0.267631 0.000000 O\n0.017774 0.732369 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Nd",
"O"
],
"chemical_system": "K-Nd-O",
"density": 0.25440764261854915,
"density_atomic": 0.002698173269833473,
"volume": 3706.211202891793,
"volume_molar": 223.193255501033,
"formula_full": "K1 Nd3 O6",
"formula_reduced": "KNd3O6",
"formula_anonymous": "AB3C6",
"energy": -45.88659767,
"energy_per_atom": -4.588659767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.76459767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3620614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.931000Z",
"spacegroup": 65
},
{
"id": "mp-1185974",
"created_at": "2022-09-04T14:45:31.177703Z",
"structure_string": "Mg2 Pb6\n1.0\n3.335227 -5.776783 0.000000\n3.335227 5.776783 0.000000\n0.000000 0.000000 6.139337\nMg Pb\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.168334 0.336669 0.250000 Pb\n0.168334 0.831666 0.250000 Pb\n0.663331 0.831666 0.250000 Pb\n0.336669 0.168334 0.750000 Pb\n0.831666 0.168334 0.750000 Pb\n0.831666 0.663331 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 9.067442678185042,
"density_atomic": 0.03381637619162706,
"volume": 236.57177086824584,
"volume_molar": 17.808356300138048,
"formula_full": "Mg2 Pb6",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
"energy": -25.21231683,
"energy_per_atom": -3.15153960375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.21231683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.275000Z",
"spacegroup": 194
}
]
}