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=-energy_above_hull&page=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12160",
"results": [
{
"id": "mp-1187543",
"created_at": "2022-09-04T14:46:29.763421Z",
"structure_string": "Tl2 S6\n1.0\n3.858097 -6.682420 0.000000\n3.858097 6.682420 0.000000\n0.000000 0.000000 3.533384\nTl S\n2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.135564 0.271129 0.250000 S\n0.728871 0.864436 0.250000 S\n0.135564 0.864436 0.250000 S\n0.864436 0.728871 0.750000 S\n0.271129 0.135564 0.750000 S\n0.864436 0.135564 0.750000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 5.479096791112355,
"density_atomic": 0.0439098792230119,
"volume": 182.19134603785088,
"volume_molar": 13.71477413867258,
"formula_full": "Tl2 S6",
"formula_reduced": "TlS3",
"formula_anonymous": "AB3",
"energy": -29.26656768,
"energy_per_atom": -3.65832096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.24856768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.755000Z",
"spacegroup": 194
},
{
"id": "mp-1174243",
"created_at": "2022-09-04T14:46:29.740035Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n2.905126 5.330888 0.000000\n-2.905126 5.330888 0.000000\n0.000000 2.082314 4.891075\nLi Mn Co O\n4 3 1 8\ndirect\n0.751457 0.248543 0.500000 Li\n0.747144 0.747144 0.484406 Li\n0.252856 0.252856 0.515594 Li\n0.248543 0.751457 0.500000 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.625603 0.142269 0.237736 O\n0.641608 0.641608 0.227425 O\n0.119026 0.119026 0.206167 O\n0.142269 0.625603 0.237736 O\n0.857731 0.374397 0.762264 O\n0.880974 0.880974 0.793833 O\n0.358392 0.358392 0.772575 O\n0.374397 0.857731 0.762264 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.15977174814673,
"density_atomic": 0.10561391291145529,
"volume": 151.4951918637282,
"volume_molar": 5.702033561666112,
"formula_full": "Li4 Mn3 Co1 O8",
"formula_reduced": "Li4Mn3CoO8",
"formula_anonymous": "AB3C4D8",
"energy": -113.83669069,
"energy_per_atom": -7.114793168125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.69869069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9990129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.251000Z",
"spacegroup": 12
},
{
"id": "mp-1521367",
"created_at": "2022-09-04T14:46:29.748917Z",
"structure_string": "Ba1 Nd1 Zr4 O12\n1.0\n0.000000 -4.177062 -4.179235\n0.000000 -4.177062 4.179235\n-8.295442 0.000000 0.000000\nBa Nd Zr O\n1 1 4 12\ndirect\n0.473690 0.526310 -0.000000 Ba\n0.032542 0.967458 0.500000 Nd\n0.515476 0.011797 0.253862 Zr\n0.515476 0.011797 0.746138 Zr\n0.988203 0.484524 0.746138 Zr\n0.988203 0.484524 0.253862 Zr\n0.276554 0.277389 0.252601 O\n0.722611 0.723446 0.252601 O\n0.722611 0.723446 0.747399 O\n0.276554 0.277389 0.747399 O\n0.225199 0.774801 0.242677 O\n0.800817 0.199183 0.311678 O\n0.800817 0.199183 0.688322 O\n0.225199 0.774801 0.757323 O\n0.519069 0.029485 -0.000000 O\n0.426886 0.983723 0.500000 O\n0.970515 0.480931 -0.000000 O\n0.016277 0.573114 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Zr",
"O"
],
"chemical_system": "Ba-Nd-O-Zr",
"density": 4.807209684782176,
"density_atomic": 0.06214916017273166,
"volume": 289.6257962291438,
"volume_molar": 9.689818403438785,
"formula_full": "Ba1 Nd1 Zr4 O12",
"formula_reduced": "BaNdZr4O12",
"formula_anonymous": "ABC4D12",
"energy": -158.87763298,
"energy_per_atom": -8.826535165555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.63363298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.044000Z",
"spacegroup": 38
},
{
"id": "mp-1192126",
"created_at": "2022-09-04T14:46:29.757471Z",
"structure_string": "Zn4 Te2 Mo2 O14\n1.0\n8.576179 0.000000 0.000000\n0.000000 5.248012 0.000000\n0.000000 1.217809 7.256178\nZn Te Mo O\n4 2 2 14\ndirect\n0.461485 0.947228 0.512414 Zn\n0.961485 0.052772 0.487586 Zn\n0.639808 0.522994 0.238881 Zn\n0.139808 0.477006 0.761119 Zn\n0.751249 0.514943 0.644660 Te\n0.251249 0.485057 0.355340 Te\n0.469111 0.078021 0.984344 Mo\n0.969111 0.921979 0.015656 Mo\n0.942054 0.706084 0.633172 O\n0.442054 0.293916 0.366828 O\n0.650574 0.752452 0.453802 O\n0.150574 0.247548 0.546198 O\n0.445170 0.789256 0.157746 O\n0.945170 0.210744 0.842254 O\n0.791487 0.311915 0.456056 O\n0.291487 0.688085 0.543944 O\n0.620907 0.278674 0.051054 O\n0.120907 0.721326 0.948946 O\n0.291465 0.257797 0.948376 O\n0.791465 0.742203 0.051624 O\n0.527051 0.994315 0.766356 O\n0.027051 0.005685 0.233644 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-O-Te-Zn",
"density": 4.742398328320518,
"density_atomic": 0.06736372537610888,
"volume": 326.5852634658844,
"volume_molar": 8.939738303332915,
"formula_full": "Zn4 Te2 Mo2 O14",
"formula_reduced": "Zn2TeMoO7",
"formula_anonymous": "ABC2D7",
"energy": -141.87366889,
"energy_per_atom": -6.448803131363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.85166889,
"band_gap": 3.4519,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047599,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.483000Z",
"spacegroup": 4
},
{
"id": "mp-1222570",
"created_at": "2022-09-04T14:46:29.765454Z",
"structure_string": "Li2 W6 O18 F2\n1.0\n6.488639 3.745225 0.000000\n-6.488639 3.745225 0.000000\n0.000000 3.721950 7.680404\nLi W O F\n2 6 18 2\ndirect\n0.054738 0.803936 0.500090 Li\n0.803936 0.054738 0.000090 Li\n0.483367 0.232710 0.487302 W\n0.232710 0.483367 0.987302 W\n0.740014 0.489603 0.972458 W\n0.227047 0.978161 0.995262 W\n0.489603 0.740014 0.472458 W\n0.978161 0.227047 0.495262 W\n0.929523 0.387561 0.002008 O\n0.133911 0.175603 0.009491 O\n0.387561 0.929523 0.502008 O\n0.175603 0.133911 0.509491 O\n0.753961 0.931646 0.510502 O\n0.185623 0.507208 0.501607 O\n0.931646 0.753961 0.010502 O\n0.507208 0.185623 0.001607 O\n0.595235 0.343163 0.251885 O\n0.340661 0.091728 0.756459 O\n0.343163 0.595235 0.751885 O\n0.091728 0.340661 0.256459 O\n0.753550 0.289743 0.511108 O\n0.544183 0.507645 0.500712 O\n0.289743 0.753550 0.011108 O\n0.507645 0.544183 0.000712 O\n0.858101 0.609224 0.742706 O\n0.609224 0.858101 0.242706 O\n0.101162 0.848991 0.258411 F\n0.848991 0.101162 0.758411 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"W",
"O",
"F"
],
"chemical_system": "F-Li-O-W",
"density": 6.418627221590346,
"density_atomic": 0.07500883914818066,
"volume": 373.289339202887,
"volume_molar": 8.02857480316847,
"formula_full": "Li2 W6 O18 F2",
"formula_reduced": "LiW3O9F",
"formula_anonymous": "ABC3D9",
"energy": -239.01176518,
"energy_per_atom": -8.536134470714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.09376518,
"band_gap": 2.5627000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.839000Z",
"spacegroup": 9
},
{
"id": "mp-1184044",
"created_at": "2022-09-04T14:46:29.791161Z",
"structure_string": "Cu1 Hg1 O3\n1.0\n3.831720 0.000000 0.000000\n0.000000 3.831720 0.000000\n0.000000 0.000000 3.831720\nCu Hg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\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": [
"Cu",
"Hg",
"O"
],
"chemical_system": "Cu-Hg-O",
"density": 9.213171513943983,
"density_atomic": 0.08887686085370765,
"volume": 56.257612521104434,
"volume_molar": 6.775825228472588,
"formula_full": "Cu1 Hg1 O3",
"formula_reduced": "CuHgO3",
"formula_anonymous": "ABC3",
"energy": -20.99000252,
"energy_per_atom": -4.198000504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.92900252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6891766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.154000Z",
"spacegroup": 221
},
{
"id": "mp-16691",
"created_at": "2022-09-04T14:46:29.829410Z",
"structure_string": "Sr4 Li8 Ti24 O56\n1.0\n5.642853 -8.367803 0.000000\n5.642853 8.367803 0.000000\n0.000000 0.000000 11.561442\nSr Li Ti O\n4 8 24 56\ndirect\n0.353360 0.353360 0.121059 Sr\n0.646640 0.646640 0.878941 Sr\n0.853360 0.853360 0.378941 Sr\n0.146640 0.146640 0.621059 Sr\n0.058557 0.430989 0.121671 Li\n0.441443 0.069011 0.621671 Li\n0.930989 0.558557 0.378329 Li\n0.569011 0.941443 0.878329 Li\n0.941443 0.569011 0.878329 Li\n0.558557 0.930989 0.378329 Li\n0.069011 0.441443 0.621671 Li\n0.430989 0.058557 0.121671 Li\n0.491005 0.275877 0.385052 Ti\n0.008995 0.224123 0.885052 Ti\n0.775877 0.991005 0.114948 Ti\n0.724123 0.508995 0.614948 Ti\n0.508995 0.724123 0.614948 Ti\n0.243032 0.743032 0.250000 Ti\n0.991005 0.775877 0.114948 Ti\n0.224123 0.008995 0.885052 Ti\n0.275877 0.491005 0.385052 Ti\n0.234991 0.017634 0.359559 Ti\n0.265009 0.482366 0.859559 Ti\n0.517634 0.734991 0.140441 Ti\n0.982366 0.765009 0.640441 Ti\n0.765009 0.982366 0.640441 Ti\n0.256968 0.756968 0.750000 Ti\n0.482366 0.265009 0.859559 Ti\n0.017634 0.234991 0.359559 Ti\n0.760593 0.239407 0.500000 Ti\n0.739407 0.260593 0.000000 Ti\n0.239407 0.760593 0.500000 Ti\n0.260593 0.739407 0.000000 Ti\n0.743031 0.243031 0.250000 Ti\n0.756968 0.256968 0.750000 Ti\n0.734991 0.517634 0.140441 Ti\n0.354961 0.139395 0.758923 O\n0.590112 0.590112 0.633775 O\n0.909888 0.909888 0.133775 O\n0.090112 0.090112 0.866225 O\n0.409888 0.409888 0.366225 O\n0.355407 0.139871 0.482843 O\n0.144593 0.360129 0.982843 O\n0.639871 0.855407 0.017157 O\n0.860129 0.644593 0.517157 O\n0.644593 0.860129 0.517157 O\n0.855407 0.639871 0.017157 O\n0.360129 0.144593 0.982843 O\n0.139871 0.355407 0.482843 O\n0.916390 0.916390 0.622865 O\n0.583610 0.583610 0.122865 O\n0.416390 0.416390 0.877135 O\n0.083610 0.083610 0.377135 O\n0.360605 0.145039 0.258923 O\n0.139395 0.354961 0.758923 O\n0.645039 0.860605 0.241077 O\n0.854961 0.639395 0.741077 O\n0.639395 0.854961 0.741077 O\n0.371164 0.628836 0.000000 O\n0.145039 0.360605 0.258923 O\n0.367368 0.632632 0.500000 O\n0.132632 0.867368 0.000000 O\n0.632632 0.367368 0.500000 O\n0.867368 0.132632 0.000000 O\n0.146065 0.620722 0.378232 O\n0.353935 0.879278 0.878232 O\n0.120722 0.646065 0.121768 O\n0.379278 0.853935 0.621768 O\n0.853935 0.379278 0.621768 O\n0.646065 0.120722 0.121768 O\n0.879278 0.353935 0.878232 O\n0.620722 0.146065 0.378232 O\n0.363378 0.627868 0.250000 O\n0.136622 0.872132 0.750000 O\n0.127868 0.863378 0.250000 O\n0.372132 0.636622 0.750000 O\n0.636622 0.372132 0.750000 O\n0.863378 0.127868 0.250000 O\n0.872132 0.136622 0.750000 O\n0.627868 0.363378 0.250000 O\n0.880463 0.348107 0.371861 O\n0.619537 0.151893 0.871861 O\n0.848107 0.380463 0.128139 O\n0.651893 0.119537 0.628139 O\n0.119537 0.651893 0.628139 O\n0.380463 0.848107 0.128139 O\n0.151893 0.619537 0.871861 O\n0.348107 0.880463 0.371861 O\n0.871164 0.128836 0.500000 O\n0.628836 0.371164 0.000000 O\n0.128836 0.871164 0.500000 O\n0.860605 0.645039 0.241077 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Sr-Ti",
"density": 3.7273627941612038,
"density_atomic": 0.0842627527615677,
"volume": 1091.8228634225354,
"volume_molar": 7.1468597483877865,
"formula_full": "Sr4 Li8 Ti24 O56",
"formula_reduced": "SrLi2Ti6O14",
"formula_anonymous": "AB2C6D14",
"energy": -801.0573463499999,
"energy_per_atom": -8.707145069021738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -762.58534635,
"band_gap": 2.8389000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.202000Z",
"spacegroup": 64
},
{
"id": "mp-1246166",
"created_at": "2022-09-04T14:46:29.838227Z",
"structure_string": "Zr1 Fe2 N2\n1.0\n3.030444 0.000016 0.000008\n-1.515208 2.624416 -0.000017\n0.000093 0.000012 6.552326\nZr Fe N\n1 2 2\ndirect\n0.000001 0.000000 0.000004 Zr\n0.666670 0.333336 0.342903 Fe\n0.333330 0.666664 0.657096 Fe\n0.666662 0.333329 0.772942 N\n0.333336 0.666671 0.227056 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"N"
],
"chemical_system": "Fe-N-Zr",
"density": 7.358491673606305,
"density_atomic": 0.09594762824822667,
"volume": 52.1117623362661,
"volume_molar": 6.27648736081322,
"formula_full": "Zr1 Fe2 N2",
"formula_reduced": "Zr(FeN)2",
"formula_anonymous": "AB2C2",
"energy": -45.45337558,
"energy_per_atom": -9.090675116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.73137557999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.104000Z",
"spacegroup": 164
},
{
"id": "mp-731832",
"created_at": "2022-09-04T14:46:29.847975Z",
"structure_string": "Cs4 V2 O4 F8\n1.0\n3.158420 -7.522241 0.000000\n3.158420 7.522241 0.000000\n0.000000 0.000000 7.509090\nCs V O F\n4 2 4 8\ndirect\n0.266304 0.733696 0.250000 Cs\n0.733696 0.266304 0.750000 Cs\n0.950548 0.049452 0.250000 Cs\n0.049452 0.950548 0.750000 Cs\n0.622768 0.377232 0.250000 V\n0.377232 0.622768 0.750000 V\n0.734627 0.265373 0.250000 O\n0.265373 0.734627 0.750000 O\n0.491381 0.508619 0.250000 O\n0.508619 0.491381 0.750000 O\n0.825517 0.598548 0.427896 F\n0.598548 0.825517 0.572104 F\n0.825517 0.598548 0.072104 F\n0.598548 0.825517 0.927896 F\n0.174483 0.401452 0.572104 F\n0.401452 0.174483 0.427896 F\n0.174483 0.401452 0.927896 F\n0.401452 0.174483 0.072104 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cs",
"V",
"O",
"F"
],
"chemical_system": "Cs-F-O-V",
"density": 3.95341814361552,
"density_atomic": 0.050447317211584054,
"volume": 356.8078739352014,
"volume_molar": 11.937484672856211,
"formula_full": "Cs4 V2 O4 F8",
"formula_reduced": "Cs2V(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy": -102.99507015,
"energy_per_atom": -5.721948341666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.15107014999998,
"band_gap": 0.3959,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.604000Z",
"spacegroup": 63
},
{
"id": "mp-649",
"created_at": "2022-09-04T14:46:29.941717Z",
"structure_string": "Fe1 Pt3\n1.0\n3.869624 0.000000 0.000000\n0.000000 3.869624 0.000000\n0.000000 0.000000 3.869624\nFe Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Pt"
],
"chemical_system": "Fe-Pt",
"density": 18.372427329107172,
"density_atomic": 0.06903251365518139,
"volume": 57.943710698122196,
"volume_molar": 8.723629549520243,
"formula_full": "Fe1 Pt3",
"formula_reduced": "FePt3",
"formula_anonymous": "AB3",
"energy": -27.37816386,
"energy_per_atom": -6.844540965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.37816386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1566303,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.921000Z",
"spacegroup": 221
},
{
"id": "mp-1073940",
"created_at": "2022-09-04T14:46:29.777404Z",
"structure_string": "Mg12 Si10\n1.0\n5.356878 0.000000 0.000000\n-0.891603 6.025387 0.000000\n-1.180358 -2.815288 13.383861\nMg Si\n12 10\ndirect\n0.832960 0.536098 0.081322 Mg\n0.887588 0.233690 0.468066 Mg\n0.620021 0.904244 0.722162 Mg\n0.681940 0.416498 0.293509 Mg\n0.525624 0.873709 0.258147 Mg\n0.792034 0.461738 0.841909 Mg\n0.467782 0.341748 0.607320 Mg\n0.402549 0.790509 0.487582 Mg\n0.041208 0.069489 0.174516 Mg\n0.810022 0.994962 0.950467 Mg\n0.282425 0.738382 0.995091 Mg\n0.343533 0.239146 0.926056 Mg\n0.018658 0.850873 0.343846 Si\n0.868514 0.700897 0.498345 Si\n0.110521 0.851826 0.804983 Si\n0.333178 0.458758 0.131876 Si\n0.346946 0.192123 0.399481 Si\n0.128567 0.936383 0.643034 Si\n0.962928 0.279542 0.666507 Si\n0.193664 0.486032 0.307772 Si\n0.544185 0.124745 0.107985 Si\n0.298168 0.518821 0.786545 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.200684820678939,
"density_atomic": 0.050926585816665794,
"volume": 431.9944022793782,
"volume_molar": 11.825141354811276,
"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
"energy": -71.45415515,
"energy_per_atom": -3.2479161431818184,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.16415515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.146000Z",
"spacegroup": 1
},
{
"id": "mp-21509",
"created_at": "2022-09-04T14:46:29.798850Z",
"structure_string": "La3 Mg3 Ga3\n1.0\n3.800960 -6.583456 0.000000\n3.800960 6.583456 0.000000\n0.000000 0.000000 4.625845\nLa Mg Ga\n3 3 3\ndirect\n0.000000 0.577482 0.000000 La\n0.422518 0.422518 0.000000 La\n0.577482 0.000000 0.000000 La\n0.000000 0.241823 0.500000 Mg\n0.758177 0.758177 0.500000 Mg\n0.241823 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ga"
],
"chemical_system": "Ga-La-Mg",
"density": 5.012264024843746,
"density_atomic": 0.03887534002003789,
"volume": 231.50922912471103,
"volume_molar": 15.490901833645571,
"formula_full": "La3 Mg3 Ga3",
"formula_reduced": "LaMgGa",
"formula_anonymous": "ABC",
"energy": -33.06830801,
"energy_per_atom": -3.6742564455555558,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.06830801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.956000Z",
"spacegroup": 189
}
]
}