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_stable&page=12151",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12149",
"results": [
{
"id": "mp-720842",
"created_at": "2022-09-04T14:47:58.788315Z",
"structure_string": "Ba2 H16 Pt2 C8 N8 O8\n1.0\n6.981585 6.179329 0.000000\n-6.981585 6.179329 0.000000\n0.000000 2.042135 6.359135\nBa H Pt C N O\n2 16 2 8 8 8\ndirect\n0.370351 0.629649 0.750000 Ba\n0.629649 0.370351 0.250000 Ba\n0.709149 0.506358 0.657658 H\n0.493642 0.290851 0.842342 H\n0.290851 0.493642 0.342342 H\n0.506358 0.709149 0.157658 H\n0.714483 0.629126 0.459729 H\n0.370874 0.285517 0.040271 H\n0.285517 0.370874 0.540271 H\n0.629126 0.714483 0.959729 H\n0.909693 0.532549 0.809080 H\n0.467451 0.090307 0.690920 H\n0.090307 0.467451 0.190920 H\n0.532549 0.909693 0.309080 H\n0.874493 0.374081 0.778419 H\n0.625919 0.125507 0.721581 H\n0.125507 0.625919 0.221581 H\n0.374081 0.874493 0.278419 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.904758 0.786621 0.086951 C\n0.213379 0.095242 0.413049 C\n0.095242 0.213379 0.913049 C\n0.786621 0.904758 0.586951 C\n0.197504 0.935563 0.946457 C\n0.064437 0.802496 0.553543 C\n0.802496 0.064437 0.053543 C\n0.935563 0.197504 0.446457 C\n0.850124 0.660540 0.137073 N\n0.339460 0.149876 0.362927 N\n0.149876 0.339460 0.862927 N\n0.660540 0.850124 0.637073 N\n0.311798 0.893417 0.911740 N\n0.106583 0.688202 0.588260 N\n0.688202 0.106583 0.088260 N\n0.893417 0.311798 0.411740 N\n0.648305 0.542866 0.557851 O\n0.457134 0.351695 0.942149 O\n0.351695 0.457134 0.442149 O\n0.542866 0.648305 0.057851 O\n0.827320 0.449608 0.835893 O\n0.550392 0.172680 0.664107 O\n0.172680 0.550392 0.164107 O\n0.449608 0.827320 0.335893 O\n",
"nsites": 44,
"nelements": 6,
"elements": [
"Ba",
"H",
"Pt",
"C",
"N",
"O"
],
"chemical_system": "Ba-C-H-N-O-Pt",
"density": 3.0780969302371015,
"density_atomic": 0.08019167549336714,
"volume": 548.6853807367992,
"volume_molar": 7.509683172161811,
"formula_full": "Ba2 H16 Pt2 C8 N8 O8",
"formula_reduced": "BaH8PtC4(NO)4",
"formula_anonymous": "ABC4D4E4F8",
"energy": -286.96891448,
"energy_per_atom": -6.522020783636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -278.58491448,
"band_gap": 1.835,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055501,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.067000Z",
"spacegroup": 15
},
{
"id": "mp-29567",
"created_at": "2022-09-04T14:47:58.874742Z",
"structure_string": "Cu4 Se8 Br4\n1.0\n4.995030 0.000000 0.000000\n0.000000 7.886653 0.000000\n0.000000 4.958412 11.598520\nCu Se Br\n4 8 4\ndirect\n0.362550 0.181128 0.751644 Cu\n0.862550 0.818872 0.748356 Cu\n0.637450 0.818872 0.248356 Cu\n0.137450 0.181128 0.251644 Cu\n0.965078 0.689491 0.163447 Se\n0.465078 0.310509 0.336553 Se\n0.034922 0.310509 0.836553 Se\n0.534922 0.689491 0.663447 Se\n0.195094 0.587573 0.832352 Se\n0.695094 0.412427 0.667648 Se\n0.804906 0.412427 0.167648 Se\n0.304906 0.587573 0.332352 Se\n0.388749 0.087650 0.116855 Br\n0.888749 0.912350 0.383145 Br\n0.611251 0.912350 0.883145 Br\n0.111251 0.087650 0.616855 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Se",
"Br"
],
"chemical_system": "Br-Cu-Se",
"density": 4.3810246552034116,
"density_atomic": 0.03501761576239555,
"volume": 456.9128894601088,
"volume_molar": 17.19746084616935,
"formula_full": "Cu4 Se8 Br4",
"formula_reduced": "CuSe2Br",
"formula_anonymous": "ABC2",
"energy": -60.25723613,
"energy_per_atom": -3.766077258125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.34523613,
"band_gap": 0.8486,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020152,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.601000Z",
"spacegroup": 14
},
{
"id": "mp-1028148",
"created_at": "2022-09-04T14:47:59.245073Z",
"structure_string": "Mg14 Mn1 Co1\n1.0\n6.230254 0.000000 -0.000000\n-3.115127 5.395557 0.000000\n-0.000000 -0.000000 9.849684\nMg Mn Co\n14 1 1\ndirect\n0.170420 0.835209 0.125000 Mg\n0.164766 0.832382 0.625000 Mg\n0.664791 0.329580 0.125000 Mg\n0.667618 0.335234 0.625000 Mg\n0.664791 0.835209 0.125000 Mg\n0.667618 0.832382 0.625000 Mg\n0.325477 0.174523 0.382144 Mg\n0.325477 0.174523 0.867856 Mg\n0.325477 0.650954 0.382144 Mg\n0.325477 0.650954 0.867856 Mg\n0.849046 0.174523 0.382144 Mg\n0.849046 0.174523 0.867856 Mg\n0.833333 0.666667 0.372769 Mg\n0.833333 0.666667 0.877231 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Co"
],
"chemical_system": "Co-Mg-Mn",
"density": 2.2775908202819792,
"density_atomic": 0.04832319572884203,
"volume": 331.1039296693346,
"volume_molar": 12.462215441611708,
"formula_full": "Mg14 Mn1 Co1",
"formula_reduced": "Mg14MnCo",
"formula_anonymous": "ABC14",
"energy": -36.79714751,
"energy_per_atom": -2.299821719375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.79714751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4361982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.694000Z",
"spacegroup": 187
},
{
"id": "mp-1189099",
"created_at": "2022-09-04T14:47:59.292473Z",
"structure_string": "Mo12 P4\n1.0\n0.000000 0.000000 -4.847614\n-4.928967 -4.928967 -2.423807\n-4.928967 4.928967 -2.423807\nMo P\n12 4\ndirect\n0.138671 0.003044 0.184604 Mo\n0.326319 0.996956 0.815396 Mo\n0.676725 0.184604 0.996956 Mo\n0.858285 0.815396 0.003044 Mo\n0.997295 0.645229 0.356895 Mo\n0.999420 0.354771 0.643105 Mo\n0.645809 0.356895 0.354771 Mo\n0.357475 0.643105 0.645229 Mo\n0.529197 0.003333 0.403976 Mo\n0.936506 0.996667 0.596024 Mo\n0.066827 0.403976 0.996667 Mo\n0.467470 0.596024 0.003333 Mo\n0.494841 0.712046 0.294577 P\n0.501464 0.287954 0.705423 P\n0.210581 0.294577 0.287954 P\n0.793113 0.705423 0.712046 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 8.989779836206063,
"density_atomic": 0.067928204434253,
"volume": 235.54280778150454,
"volume_molar": 8.865449646661522,
"formula_full": "Mo12 P4",
"formula_reduced": "Mo3P",
"formula_anonymous": "AB3",
"energy": -157.38483969,
"energy_per_atom": -9.836552480625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.38483969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0224343,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.990000Z",
"spacegroup": 82
},
{
"id": "mp-1070662",
"created_at": "2022-09-04T14:47:59.374182Z",
"structure_string": "Gd2 Bi1 O2\n1.0\n-1.970920 1.970920 6.877525\n1.970920 -1.970920 6.877525\n1.970920 1.970920 -6.877525\nGd Bi O\n2 1 2\ndirect\n0.667116 0.667116 0.000000 Gd\n0.332884 0.332884 0.000000 Gd\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Bi",
"O"
],
"chemical_system": "Bi-Gd-O",
"density": 8.63150917813571,
"density_atomic": 0.04678857755603485,
"volume": 106.86368898502865,
"volume_molar": 12.870963544014081,
"formula_full": "Gd2 Bi1 O2",
"formula_reduced": "Gd2BiO2",
"formula_anonymous": "AB2C2",
"energy": -56.51133636,
"energy_per_atom": -11.302267272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.13733635999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9108291,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.696000Z",
"spacegroup": 139
},
{
"id": "mp-1212362",
"created_at": "2022-09-04T14:47:59.692685Z",
"structure_string": "Ho8 Si12 Pd4\n1.0\n4.104024 -7.108378 0.000000\n4.104024 7.108378 0.000000\n0.000000 0.000000 7.825917\nHo Si Pd\n8 12 4\ndirect\n0.512325 0.024649 0.250000 Ho\n0.487675 0.975351 0.750000 Ho\n0.975351 0.487675 0.250000 Ho\n0.024649 0.512325 0.750000 Ho\n0.512325 0.487675 0.250000 Ho\n0.487675 0.512325 0.750000 Ho\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.165548 0.331095 0.003495 Si\n0.834452 0.668905 0.996505 Si\n0.668905 0.834452 0.003495 Si\n0.834452 0.668905 0.503495 Si\n0.331095 0.165548 0.996505 Si\n0.165548 0.331095 0.496505 Si\n0.165548 0.834452 0.003495 Si\n0.331095 0.165548 0.503495 Si\n0.834452 0.165548 0.996505 Si\n0.668905 0.834452 0.496505 Si\n0.834452 0.165548 0.503495 Si\n0.165548 0.834452 0.496505 Si\n0.333333 0.666667 0.044182 Pd\n0.666667 0.333333 0.955818 Pd\n0.666667 0.333333 0.544182 Pd\n0.333333 0.666667 0.455818 Pd\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Si",
"Pd"
],
"chemical_system": "Ho-Pd-Si",
"density": 7.5720796086356,
"density_atomic": 0.05256124002781557,
"volume": 456.61023193705336,
"volume_molar": 11.457379538254928,
"formula_full": "Ho8 Si12 Pd4",
"formula_reduced": "Ho2Si3Pd",
"formula_anonymous": "AB2C3",
"energy": -143.65665234,
"energy_per_atom": -5.985693847499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.65665234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.228000Z",
"spacegroup": 194
},
{
"id": "mp-1227195",
"created_at": "2022-09-04T14:47:59.713392Z",
"structure_string": "Ce3 Mg2 In1 Au3\n1.0\n3.893434 -6.645015 0.000000\n3.893434 6.645015 0.000000\n0.000000 0.000000 4.257132\nCe Mg In Au\n3 2 1 3\ndirect\n0.583548 0.583548 0.000000 Ce\n0.413276 0.999491 0.000000 Ce\n0.999491 0.413276 0.000000 Ce\n0.756879 0.000423 0.500000 Mg\n0.000423 0.756879 0.500000 Mg\n0.247514 0.247514 0.500000 In\n0.335698 0.673833 0.500000 Au\n0.673833 0.335698 0.500000 Au\n0.989238 0.989238 0.000000 Au\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ce",
"Mg",
"In",
"Au"
],
"chemical_system": "Au-Ce-In-Mg",
"density": 8.855053511255447,
"density_atomic": 0.040857013169241355,
"volume": 220.2804194892917,
"volume_molar": 14.739552142626241,
"formula_full": "Ce3 Mg2 In1 Au3",
"formula_reduced": "Ce3Mg2InAu3",
"formula_anonymous": "AB2C3D3",
"energy": -38.86363673,
"energy_per_atom": -4.318181858888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.86363673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0067335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.317000Z",
"spacegroup": 38
},
{
"id": "mp-20693",
"created_at": "2022-09-04T14:47:59.727003Z",
"structure_string": "In1 Fe2 O4\n1.0\n8.747539 -1.701217 0.000000\n8.747539 1.701217 0.000000\n8.416687 0.000000 2.927961\nIn Fe O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 In\n0.785069 0.785069 0.785069 Fe\n0.214931 0.214931 0.214931 Fe\n0.707833 0.707833 0.707833 O\n0.292167 0.292167 0.292167 O\n0.870595 0.870595 0.870595 O\n0.129405 0.129405 0.129405 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"In",
"Fe",
"O"
],
"chemical_system": "Fe-In-O",
"density": 5.535574771862777,
"density_atomic": 0.08032618762814873,
"volume": 87.14468103982303,
"volume_molar": 7.497107652958821,
"formula_full": "In1 Fe2 O4",
"formula_reduced": "In(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -51.0580922,
"energy_per_atom": -7.294013171428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.7980922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0149132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.148000Z",
"spacegroup": 166
},
{
"id": "mp-1247671",
"created_at": "2022-09-04T14:47:58.778237Z",
"structure_string": "Ca8 Mn4 Al4 O20\n1.0\n7.686455 0.000000 0.012129\n0.000000 7.581263 0.000000\n0.012241 0.000000 7.671173\nCa Mn Al O\n8 4 4 20\ndirect\n0.253043 0.267018 0.240886 Ca\n0.260274 0.255548 0.756683 Ca\n0.253043 0.732982 0.240886 Ca\n0.260274 0.744452 0.756683 Ca\n0.794108 0.267057 0.211374 Ca\n0.724652 0.269958 0.729126 Ca\n0.794108 0.732943 0.211374 Ca\n0.724652 0.730042 0.729126 Ca\n0.019818 0.500000 0.976678 Mn\n0.009338 0.500000 0.471538 Mn\n0.503777 0.000000 0.028641 Mn\n0.508990 0.000000 0.495883 Mn\n0.992363 0.000000 0.950895 Al\n0.972539 0.000000 0.524133 Al\n0.508645 0.500000 0.977076 Al\n0.499886 0.500000 0.510293 Al\n0.995432 0.500000 0.225570 O\n0.015329 0.500000 0.720902 O\n0.402735 0.000000 0.264490 O\n0.440858 0.000000 0.787075 O\n0.503835 0.500000 0.744890 O\n0.071961 0.000000 0.730965 O\n0.267998 0.500000 0.991294 O\n0.273161 0.500000 0.441376 O\n0.774292 0.000000 0.025182 O\n0.750966 0.000000 0.586468 O\n0.762758 0.500000 0.977009 O\n0.736891 0.500000 0.461428 O\n0.063181 0.210181 0.012608 O\n0.014655 0.202461 0.424324 O\n0.063181 0.789819 0.012608 O\n0.014655 0.797539 0.424324 O\n0.514989 0.266145 0.045432 O\n0.494312 0.249171 0.508675 O\n0.514989 0.733855 0.045432 O\n0.494312 0.750829 0.508675 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O",
"density": 3.596883393599304,
"density_atomic": 0.0805330533554166,
"volume": 447.02142164064196,
"volume_molar": 7.4778497884868225,
"formula_full": "Ca8 Mn4 Al4 O20",
"formula_reduced": "Ca2MnAlO5",
"formula_anonymous": "ABC2D5",
"energy": -272.05487264,
"energy_per_atom": -7.5570797955555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.64287264,
"band_gap": 0.5726,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.001743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.775000Z",
"spacegroup": 6
},
{
"id": "mp-758134",
"created_at": "2022-09-04T14:47:58.778837Z",
"structure_string": "Li4 Ag2 F10\n1.0\n2.236486 -5.132452 0.000000\n2.236486 5.132452 0.000000\n0.000000 0.000000 9.769115\nLi Ag F\n4 2 10\ndirect\n0.860444 0.139556 0.420415 Li\n0.860444 0.139556 0.079585 Li\n0.139556 0.860444 0.920415 Li\n0.139556 0.860444 0.579585 Li\n0.809189 0.190811 0.750000 Ag\n0.190811 0.809189 0.250000 Ag\n0.684483 0.315517 0.909916 F\n0.684483 0.315517 0.590084 F\n0.943241 0.056759 0.894298 F\n0.943241 0.056759 0.605702 F\n0.780649 0.219351 0.250000 F\n0.219351 0.780649 0.750000 F\n0.056759 0.943241 0.394298 F\n0.056759 0.943241 0.105702 F\n0.315517 0.684483 0.090084 F\n0.315517 0.684483 0.409916 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 3.2095659531728526,
"density_atomic": 0.07134173789268626,
"volume": 224.27264141038359,
"volume_molar": 8.441258844939593,
"formula_full": "Li4 Ag2 F10",
"formula_reduced": "Li2AgF5",
"formula_anonymous": "AB2C5",
"energy": -68.03679987,
"energy_per_atom": -4.252299991875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.41679987,
"band_gap": 0.1600999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.078000Z",
"spacegroup": 63
},
{
"id": "mp-1185618",
"created_at": "2022-09-04T14:47:58.810462Z",
"structure_string": "Mg1 V1 Rh2\n1.0\n0.000000 3.063752 3.063752\n3.063752 0.000000 3.063752\n3.063752 3.063752 0.000000\nMg V Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Rh"
],
"chemical_system": "Mg-Rh-V",
"density": 8.114344787369058,
"density_atomic": 0.06954552218189614,
"volume": 57.51628393181103,
"volume_molar": 8.659278945737308,
"formula_full": "Mg1 V1 Rh2",
"formula_reduced": "MgVRh2",
"formula_anonymous": "ABC2",
"energy": -27.07669421,
"energy_per_atom": -6.7691735525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.07669421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5262894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.693000Z",
"spacegroup": 225
},
{
"id": "mp-1233976",
"created_at": "2022-09-04T14:47:58.824980Z",
"structure_string": "Mg1 V8 Zn4 O16\n1.0\n3.025213 -0.261486 -0.011188\n0.907874 -10.762008 0.413080\n0.045451 0.382292 -9.931762\nMg V Zn O\n1 8 4 16\ndirect\n0.914565 0.837922 0.618257 Mg\n0.639948 0.577536 0.378411 V\n0.847751 0.082643 0.117267 V\n0.201370 0.090407 0.604937 V\n0.726255 0.424821 0.130411 V\n0.190181 0.395729 0.626400 V\n0.814356 0.948586 0.361529 V\n0.407210 0.941420 0.874032 V\n0.125707 0.549928 0.910085 V\n0.351061 0.777209 0.136398 Zn\n0.319129 0.283230 0.355253 Zn\n0.573639 0.626857 0.653129 Zn\n0.558520 0.236541 0.863102 Zn\n0.323620 0.912724 0.497170 O\n0.663428 0.125250 0.479016 O\n0.332501 0.011665 0.236949 O\n0.971226 0.899493 0.002973 O\n0.586593 0.605888 0.029359 O\n0.819932 0.252284 0.216086 O\n0.357002 0.112815 0.983880 O\n0.060072 0.245760 0.731740 O\n0.192502 0.482561 0.259094 O\n0.804410 0.009929 0.733667 O\n0.065571 0.651973 0.525043 O\n0.451112 0.791233 0.747235 O\n0.853327 0.777242 0.267139 O\n0.650408 0.493156 0.774924 O\n0.257988 0.386018 0.994954 O\n0.690618 0.400423 0.485308 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Mg",
"V",
"Zn",
"O"
],
"chemical_system": "Mg-O-V-Zn",
"density": 4.919219914762244,
"density_atomic": 0.09048298314854444,
"volume": 320.5022534722487,
"volume_molar": 6.655550635541657,
"formula_full": "Mg1 V8 Zn4 O16",
"formula_reduced": "MgV8Zn4O16",
"formula_anonymous": "AB4C8D16",
"energy": -219.69742583,
"energy_per_atom": -7.575773304482758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.10542583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.736000Z",
"spacegroup": 1
}
]
}