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_magnetic&page=37",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=35",
"results": [
{
"id": "mp-558154",
"created_at": "2022-09-04T14:39:07.699099Z",
"structure_string": "Ag6 P2 O8\n1.0\n6.032654 0.000000 0.000000\n0.000000 6.032654 0.000000\n0.000000 0.000000 6.032654\nAg P O\n6 2 8\ndirect\n0.000000 0.500000 0.750000 Ag\n0.750000 0.000000 0.500000 Ag\n0.250000 0.000000 0.500000 Ag\n0.500000 0.250000 0.000000 Ag\n0.000000 0.500000 0.250000 Ag\n0.500000 0.750000 0.000000 Ag\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.750000 0.250000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"P",
"O"
],
"chemical_system": "Ag-O-P",
"density": 6.331813658222643,
"density_atomic": 0.07287771222578629,
"volume": 219.54585992531648,
"volume_molar": 8.26335044840937,
"formula_full": "Ag6 P2 O8",
"formula_reduced": "Ag3PO4",
"formula_anonymous": "AB3C4",
"energy": -70.44986028,
"energy_per_atom": -4.4031162675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.95386028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.767000Z",
"spacegroup": 223
},
{
"id": "mp-20379",
"created_at": "2022-09-04T14:40:42.721891Z",
"structure_string": "Dy1 Th1\n1.0\n4.007679 0.000000 0.000000\n0.000000 4.007679 0.000000\n0.000000 0.000000 4.007679\nDy Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Th"
],
"chemical_system": "Dy-Th",
"density": 10.177924279235294,
"density_atomic": 0.031070712252885314,
"volume": 64.36930005729992,
"volume_molar": 19.38204927838681,
"formula_full": "Dy1 Th1",
"formula_reduced": "DyTh",
"formula_anonymous": "AB",
"energy": -11.72569729,
"energy_per_atom": -5.862848645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.72569729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.281000Z",
"spacegroup": 221
},
{
"id": "mp-680232",
"created_at": "2022-09-04T14:39:06.790607Z",
"structure_string": "K16 Ag8 C24 S24 N24\n1.0\n20.270503 0.000000 0.000000\n0.000000 9.968640 0.000000\n0.000000 7.088139 10.335020\nK Ag C S N\n16 8 24 24 24\ndirect\n0.892643 0.508358 0.123000 K\n0.097934 0.030962 0.609782 K\n0.402066 0.030962 0.109782 K\n0.764498 0.205400 0.042733 K\n0.107357 0.491642 0.877000 K\n0.264498 0.794600 0.457267 K\n0.235502 0.794600 0.957267 K\n0.719786 0.701639 0.288605 K\n0.597934 0.969038 0.890218 K\n0.607357 0.508358 0.623000 K\n0.902066 0.969038 0.390218 K\n0.392643 0.491642 0.377000 K\n0.735502 0.205400 0.542733 K\n0.219786 0.298361 0.211395 K\n0.780214 0.701639 0.788605 K\n0.280214 0.298361 0.711395 K\n0.951834 0.501949 0.621523 Ag\n0.428013 0.982848 0.599888 Ag\n0.048166 0.498051 0.378477 Ag\n0.928013 0.017152 0.900112 Ag\n0.451834 0.498051 0.878477 Ag\n0.548166 0.501949 0.121523 Ag\n0.071987 0.982848 0.099888 Ag\n0.571987 0.017152 0.400112 Ag\n0.127881 0.471531 0.632551 C\n0.612582 0.051445 0.123118 C\n0.887418 0.051445 0.623118 C\n0.451902 0.316571 0.724365 C\n0.218029 0.541391 0.361025 C\n0.227658 0.070393 0.086255 C\n0.872119 0.528469 0.367449 C\n0.627881 0.528469 0.867449 C\n0.781971 0.458609 0.638975 C\n0.387418 0.948555 0.876882 C\n0.951902 0.683429 0.775635 C\n0.727658 0.929607 0.413745 C\n0.281971 0.541391 0.861025 C\n0.048098 0.316571 0.224365 C\n0.772342 0.929607 0.913745 C\n0.435879 0.780089 0.453807 C\n0.064121 0.780089 0.953807 C\n0.548098 0.683429 0.275635 C\n0.112582 0.948555 0.376882 C\n0.564121 0.219911 0.546193 C\n0.372119 0.471531 0.132551 C\n0.272342 0.070393 0.586255 C\n0.718029 0.458609 0.138975 C\n0.935879 0.219911 0.046193 C\n0.177261 0.109847 0.968119 S\n0.502176 0.728136 0.150318 S\n0.839860 0.419632 0.745314 S\n0.339860 0.580368 0.754686 S\n0.677261 0.890153 0.531881 S\n0.002176 0.271864 0.349682 S\n0.014003 0.773437 0.060305 S\n0.822739 0.890153 0.031881 S\n0.444950 0.869545 0.835627 S\n0.497824 0.271864 0.849682 S\n0.055050 0.869545 0.335627 S\n0.997824 0.728136 0.650318 S\n0.985997 0.226563 0.939695 S\n0.430440 0.355502 0.131725 S\n0.069560 0.355502 0.631725 S\n0.569560 0.644498 0.868275 S\n0.555050 0.130455 0.164373 S\n0.660140 0.419632 0.245314 S\n0.514003 0.226563 0.439695 S\n0.944950 0.130455 0.664373 S\n0.160140 0.580368 0.254686 S\n0.930440 0.644498 0.368275 S\n0.485997 0.773437 0.560305 S\n0.322739 0.109847 0.468119 S\n0.739945 0.485270 0.563464 N\n0.169589 0.550899 0.637813 N\n0.830411 0.449101 0.362187 N\n0.239945 0.514730 0.936536 N\n0.669589 0.449101 0.862187 N\n0.418485 0.348943 0.635484 N\n0.899103 0.215938 0.121442 N\n0.653562 0.998289 0.088954 N\n0.735961 0.956036 0.829830 N\n0.846438 0.998289 0.588954 N\n0.081515 0.348943 0.135484 N\n0.264039 0.043964 0.170170 N\n0.260055 0.514730 0.436536 N\n0.153562 0.001711 0.411046 N\n0.760055 0.485270 0.063464 N\n0.330411 0.550899 0.137813 N\n0.600897 0.215938 0.621442 N\n0.764039 0.956036 0.329830 N\n0.918485 0.651057 0.864516 N\n0.100897 0.784062 0.878558 N\n0.581515 0.651057 0.364516 N\n0.399103 0.784062 0.378558 N\n0.346438 0.001711 0.911046 N\n0.235961 0.043964 0.670170 N\n",
"nsites": 96,
"nelements": 5,
"elements": [
"K",
"Ag",
"C",
"S",
"N"
],
"chemical_system": "Ag-C-K-N-S",
"density": 2.2919548142949377,
"density_atomic": 0.04596840908550461,
"volume": 2088.390742899824,
"volume_molar": 13.100607307941367,
"formula_full": "K16 Ag8 C24 S24 N24",
"formula_reduced": "K2AgC3(SN)3",
"formula_anonymous": "AB2C3D3E3",
"energy": -603.3262622,
"energy_per_atom": -6.284648564583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -582.5902622,
"band_gap": 3.085,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0169052,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.003000Z",
"spacegroup": 14
},
{
"id": "mp-1207757",
"created_at": "2022-09-04T14:39:07.710526Z",
"structure_string": "Y6 Tl10\n1.0\n4.069675 -5.095666 0.000000\n4.069675 5.095666 0.000000\n0.000000 0.000000 10.588845\nY Tl\n6 10\ndirect\n0.795315 0.204685 0.000000 Y\n0.204685 0.795315 0.000000 Y\n0.204685 0.795315 0.500000 Y\n0.795315 0.204685 0.500000 Y\n0.621882 0.621882 0.250000 Y\n0.378118 0.378118 0.750000 Y\n0.069896 0.515699 0.250000 Tl\n0.930104 0.484301 0.750000 Tl\n0.515699 0.069896 0.250000 Tl\n0.484301 0.930104 0.750000 Tl\n0.007684 0.007684 0.250000 Tl\n0.992316 0.992316 0.750000 Tl\n0.304483 0.304483 0.039509 Tl\n0.695517 0.695517 0.960491 Tl\n0.695517 0.695517 0.539509 Tl\n0.304483 0.304483 0.460491 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Tl"
],
"chemical_system": "Tl-Y",
"density": 9.744721387352488,
"density_atomic": 0.036431807079379375,
"volume": 439.176677817228,
"volume_molar": 16.529898577028227,
"formula_full": "Y6 Tl10",
"formula_reduced": "Y3Tl5",
"formula_anonymous": "A3B5",
"energy": -67.52447603,
"energy_per_atom": -4.220279751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.52447603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.465000Z",
"spacegroup": 63
},
{
"id": "mp-1074201",
"created_at": "2022-09-04T14:39:07.711545Z",
"structure_string": "Mg8 Si14\n1.0\n3.754041 0.000000 0.000000\n0.000000 6.733362 0.000000\n0.000000 3.295988 15.381404\nMg Si\n8 14\ndirect\n0.000000 0.133292 0.070259 Mg\n0.000000 0.233243 0.487634 Mg\n0.500000 0.019660 0.634574 Mg\n0.500000 0.496617 0.333804 Mg\n0.000000 0.577770 0.152943 Mg\n0.500000 0.798787 0.820162 Mg\n0.500000 0.499938 0.581423 Mg\n0.500000 0.949115 0.417104 Mg\n0.500000 0.471980 0.020835 Si\n0.500000 0.835531 0.033180 Si\n0.000000 0.960963 0.916171 Si\n0.000000 0.510072 0.912748 Si\n0.000000 0.633701 0.440210 Si\n0.000000 0.816447 0.556306 Si\n0.500000 0.384451 0.765783 Si\n0.500000 0.879468 0.188194 Si\n0.000000 0.207745 0.302006 Si\n0.500000 0.212475 0.918484 Si\n0.000000 0.145963 0.747476 Si\n0.500000 0.257258 0.193412 Si\n0.000000 0.839342 0.290221 Si\n0.000000 0.639849 0.713482 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5097546984067223,
"density_atomic": 0.056584271171861926,
"volume": 388.80062505674016,
"volume_molar": 10.642782234853055,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -83.99819242,
"energy_per_atom": -3.8180996554545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.99219242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.993000Z",
"spacegroup": 6
},
{
"id": "mp-1232347",
"created_at": "2022-09-04T14:39:06.554488Z",
"structure_string": "Tb6 Mg6 Se18\n1.0\n6.929893 0.000000 0.000000\n-3.464946 6.001463 0.000000\n0.000000 0.000000 19.291840\nTb Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.347606 Tb\n0.000000 0.000000 0.652394 Tb\n0.666667 0.333333 0.680939 Tb\n0.666667 0.333333 0.985727 Tb\n0.333333 0.666667 0.014273 Tb\n0.333333 0.666667 0.319061 Tb\n0.000000 0.000000 0.161124 Mg\n0.000000 0.000000 0.838876 Mg\n0.666667 0.333333 0.494457 Mg\n0.666667 0.333333 0.172209 Mg\n0.333333 0.666667 0.827791 Mg\n0.333333 0.666667 0.505543 Mg\n0.993730 0.360169 0.583418 Se\n0.006270 0.639831 0.416582 Se\n0.639831 0.633561 0.583418 Se\n0.360169 0.366439 0.416582 Se\n0.366439 0.006270 0.583418 Se\n0.633561 0.993730 0.416582 Se\n0.660397 0.693502 0.916751 Se\n0.672937 0.973164 0.749915 Se\n0.306498 0.966894 0.916751 Se\n0.026836 0.699772 0.749915 Se\n0.033106 0.339603 0.916751 Se\n0.300228 0.327063 0.749915 Se\n0.327063 0.026836 0.250085 Se\n0.339603 0.306498 0.083249 Se\n0.973164 0.300228 0.250085 Se\n0.693502 0.033106 0.083249 Se\n0.699772 0.672937 0.250085 Se\n0.966894 0.660397 0.083249 Se\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tb",
"density": 5.216826768392377,
"density_atomic": 0.037390729757850134,
"volume": 802.3379108748617,
"volume_molar": 16.10597278790917,
"formula_full": "Tb6 Mg6 Se18",
"formula_reduced": "TbMgSe3",
"formula_anonymous": "ABC3",
"energy": -145.43023243000002,
"energy_per_atom": -4.847674414333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.93423243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6491829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.459000Z",
"spacegroup": 148
},
{
"id": "mp-1189148",
"created_at": "2022-09-04T14:39:06.801249Z",
"structure_string": "Lu12 Ru4\n1.0\n0.000000 0.000000 6.135579\n7.220384 0.000000 0.000000\n0.000000 8.912868 0.000000\nLu Ru\n12 4\ndirect\n0.333398 0.676550 0.063241 Lu\n0.166602 0.176550 0.436759 Lu\n0.666602 0.323450 0.563241 Lu\n0.833398 0.823450 0.936759 Lu\n0.666602 0.323450 0.936759 Lu\n0.833398 0.823450 0.563241 Lu\n0.333398 0.676550 0.436759 Lu\n0.166602 0.176550 0.063241 Lu\n0.868703 0.540528 0.250000 Lu\n0.631297 0.040528 0.250000 Lu\n0.131297 0.459472 0.750000 Lu\n0.368703 0.959472 0.750000 Lu\n0.039846 0.884085 0.250000 Ru\n0.460154 0.384085 0.250000 Ru\n0.960154 0.115915 0.750000 Ru\n0.539846 0.615915 0.750000 Ru\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"Ru"
],
"chemical_system": "Lu-Ru",
"density": 10.530039015363899,
"density_atomic": 0.04052160702698848,
"volume": 394.85107264733034,
"volume_molar": 14.861554616995056,
"formula_full": "Lu12 Ru4",
"formula_reduced": "Lu3Ru",
"formula_anonymous": "AB3",
"energy": -97.68971377,
"energy_per_atom": -6.105607110625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.68971377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021366,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.914000Z",
"spacegroup": 62
},
{
"id": "mp-567969",
"created_at": "2022-09-04T14:39:07.725787Z",
"structure_string": "Ho1 B2 Rh2 C1\n1.0\n-1.903097 1.903097 5.139751\n1.903097 -1.903097 5.139751\n1.903097 1.903097 -5.139751\nHo B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.645212 0.645212 0.000000 B\n0.354788 0.354788 0.000000 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ho-Rh",
"density": 9.017962450622596,
"density_atomic": 0.08058001243226948,
"volume": 74.4601523242904,
"volume_molar": 7.473491971798634,
"formula_full": "Ho1 B2 Rh2 C1",
"formula_reduced": "HoB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy": -45.39678505,
"energy_per_atom": -7.566130841666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.39678505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.757000Z",
"spacegroup": 139
},
{
"id": "mp-1079242",
"created_at": "2022-09-04T14:39:07.727949Z",
"structure_string": "Dy3 Cd3 Ga3\n1.0\n3.632426 -6.291546 0.000000\n3.632426 6.291546 0.000000\n0.000000 0.000000 4.397992\nDy Cd Ga\n3 3 3\ndirect\n0.422659 0.422659 0.500000 Dy\n0.577341 0.000000 0.500000 Dy\n0.000000 0.577341 0.500000 Dy\n0.752506 0.752506 0.000000 Cd\n0.247494 0.000000 0.000000 Cd\n0.000000 0.247494 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Ga"
],
"chemical_system": "Cd-Dy-Ga",
"density": 8.540629660450582,
"density_atomic": 0.04477173524263873,
"volume": 201.01968242295814,
"volume_molar": 13.45076470090613,
"formula_full": "Dy3 Cd3 Ga3",
"formula_reduced": "DyCdGa",
"formula_anonymous": "ABC",
"energy": -30.28999064,
"energy_per_atom": -3.3655545155555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.28999064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.877000Z",
"spacegroup": 189
},
{
"id": "mp-1046228",
"created_at": "2022-09-04T14:39:07.739991Z",
"structure_string": "Mg1 Sn4 O8\n1.0\n1.612708 7.906606 0.000000\n-1.612708 7.906606 0.000000\n0.000000 6.018143 7.762855\nMg Sn O\n1 4 8\ndirect\n0.690353 0.690353 0.798638 Mg\n0.370424 0.370424 0.429488 Sn\n0.898523 0.898523 0.789942 Sn\n0.148825 0.148825 0.157550 Sn\n0.665569 0.665569 0.490574 Sn\n0.135616 0.135616 0.395011 O\n0.533704 0.533704 0.265235 O\n0.512562 0.512562 0.719068 O\n0.855384 0.855384 0.581473 O\n0.835923 0.835923 0.326675 O\n0.171315 0.171315 0.929846 O\n0.195533 0.195533 0.613377 O\n0.748661 0.748661 0.094330 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.260371665052036,
"density_atomic": 0.06566682891026336,
"volume": 197.96905402216206,
"volume_molar": 9.170750072657723,
"formula_full": "Mg1 Sn4 O8",
"formula_reduced": "Mg(SnO2)4",
"formula_anonymous": "AB4C8",
"energy": -83.59759885,
"energy_per_atom": -6.430584526923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.10159885,
"band_gap": 0.3079,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.918000Z",
"spacegroup": 8
},
{
"id": "mp-1046855",
"created_at": "2022-09-04T14:39:07.130751Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n0.000000 4.910238 4.910238\n4.910238 0.000000 4.910238\n4.910238 4.910238 0.000000\nCa Sb O\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.625000 0.125000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.625000 Sb\n0.125000 0.625000 0.625000 Sb\n0.865595 0.403215 0.865595 O\n0.865595 0.865595 0.865595 O\n0.403215 0.865595 0.865595 O\n0.384405 0.384405 0.846785 O\n0.846785 0.384405 0.384405 O\n0.384405 0.384405 0.384405 O\n0.865595 0.865595 0.403215 O\n0.384405 0.846785 0.384405 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.875461585832238,
"density_atomic": 0.05912762176794153,
"volume": 236.77597003555917,
"volume_molar": 10.184987286711996,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -87.02621889,
"energy_per_atom": -6.216158492142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.53021889,
"band_gap": 1.0053999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.676000Z",
"spacegroup": 227
},
{
"id": "mp-1022631",
"created_at": "2022-09-04T14:39:08.840225Z",
"structure_string": "Y2 Mg12 B2\n1.0\n4.750320 0.000000 0.000000\n0.000000 6.324750 0.000000\n0.000000 0.000000 11.486434\nY Mg B\n2 12 2\ndirect\n0.000000 0.500000 0.306461 Y\n0.000000 0.000000 0.806461 Y\n0.000000 0.742972 0.075674 Mg\n0.000000 0.257028 0.075674 Mg\n0.000000 0.000000 0.334917 Mg\n0.500000 0.246202 0.421722 Mg\n0.500000 0.753798 0.421722 Mg\n0.500000 0.000000 0.173323 Mg\n0.000000 0.242972 0.575674 Mg\n0.000000 0.757028 0.575674 Mg\n0.000000 0.500000 0.834917 Mg\n0.500000 0.746202 0.921722 Mg\n0.500000 0.253798 0.921722 Mg\n0.500000 0.500000 0.673323 Mg\n0.500000 0.500000 0.190506 B\n0.500000 0.000000 0.690506 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"B"
],
"chemical_system": "B-Mg-Y",
"density": 2.362990679836664,
"density_atomic": 0.0463626798501782,
"volume": 345.1051589706263,
"volume_molar": 12.98919902702055,
"formula_full": "Y2 Mg12 B2",
"formula_reduced": "YMg6B",
"formula_anonymous": "ABC6",
"energy": -40.99650553,
"energy_per_atom": -2.562281595625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.99650553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.827000Z",
"spacegroup": 38
}
]
}