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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10152",
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"results": [
{
"id": "mp-1023083",
"created_at": "2022-09-04T14:43:08.698992Z",
"structure_string": "Y2 Mg12 Mn2\n1.0\n5.058898 0.000000 0.000000\n0.000000 6.473137 0.000000\n0.000000 0.000000 11.259313\nY Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.173980 Y\n0.500000 0.000000 0.673980 Y\n0.000000 0.754929 0.080254 Mg\n0.000000 0.245071 0.080254 Mg\n0.000000 0.000000 0.333723 Mg\n0.500000 0.260306 0.417758 Mg\n0.500000 0.739694 0.417758 Mg\n0.500000 0.000000 0.163053 Mg\n0.000000 0.254929 0.580254 Mg\n0.000000 0.745071 0.580254 Mg\n0.000000 0.500000 0.833723 Mg\n0.500000 0.760306 0.917758 Mg\n0.500000 0.239694 0.917758 Mg\n0.500000 0.500000 0.663053 Mg\n0.000000 0.500000 0.333221 Mn\n0.000000 0.000000 0.833221 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Y",
"density": 2.609190796924404,
"density_atomic": 0.04339476777278916,
"volume": 368.7080452596144,
"volume_molar": 13.877573424361554,
"formula_full": "Y2 Mg12 Mn2",
"formula_reduced": "YMg6Mn",
"formula_anonymous": "ABC6",
"energy": -48.83198814,
"energy_per_atom": -3.05199925875,
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"updated_at": "2021-11-28T01:36:00.928000Z",
"spacegroup": 38
},
{
"id": "mp-1028140",
"created_at": "2022-09-04T14:48:08.845402Z",
"structure_string": "Y1 Mg14 Mn1\n1.0\n6.452366 0.051271 0.000000\n-3.181781 5.511005 0.000000\n0.000000 0.000000 10.279132\nY Mg Mn\n1 14 1\ndirect\n0.160005 0.830002 0.125000 Y\n0.165214 0.332606 0.625000 Mg\n0.166919 0.833459 0.625000 Mg\n0.657364 0.337579 0.125000 Mg\n0.666148 0.331431 0.625000 Mg\n0.657364 0.819784 0.125000 Mg\n0.666148 0.834716 0.625000 Mg\n0.332944 0.172428 0.375809 Mg\n0.332944 0.172428 0.874191 Mg\n0.332944 0.660518 0.375809 Mg\n0.332944 0.660518 0.874191 Mg\n0.842111 0.171056 0.363704 Mg\n0.842111 0.171056 0.886296 Mg\n0.831446 0.665723 0.382140 Mg\n0.831446 0.665723 0.867860 Mg\n0.181948 0.340974 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Y",
"density": 2.189286299255509,
"density_atomic": 0.04357384623339458,
"volume": 367.1927402116215,
"volume_molar": 13.820539797528108,
"formula_full": "Y1 Mg14 Mn1",
"formula_reduced": "YMg14Mn",
"formula_anonymous": "ABC14",
"energy": -37.28208933,
"energy_per_atom": -2.330130583125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -37.28208933,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.973733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.676000Z",
"spacegroup": 38
},
{
"id": "mp-1023074",
"created_at": "2022-09-04T14:42:20.750777Z",
"structure_string": "Y2 Mg12 Mn2\n1.0\n5.098915 0.000000 0.000000\n0.000000 6.435922 0.000000\n0.000000 0.000000 11.282449\nY Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.166863 Y\n0.500000 0.000000 0.666863 Y\n0.500000 0.254680 0.418333 Mg\n0.500000 0.745320 0.418333 Mg\n0.000000 0.763008 0.085214 Mg\n0.000000 0.236992 0.085214 Mg\n0.000000 0.000000 0.326859 Mg\n0.000000 0.500000 0.336037 Mg\n0.500000 0.754680 0.918333 Mg\n0.500000 0.245320 0.918333 Mg\n0.000000 0.263008 0.585214 Mg\n0.000000 0.736992 0.585214 Mg\n0.000000 0.500000 0.826859 Mg\n0.000000 0.000000 0.836037 Mg\n0.500000 0.000000 0.163143 Mn\n0.500000 0.500000 0.663143 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Y",
"density": 2.5983432885584694,
"density_atomic": 0.043214357391529186,
"volume": 370.2473197747075,
"volume_molar": 13.935509223100125,
"formula_full": "Y2 Mg12 Mn2",
"formula_reduced": "YMg6Mn",
"formula_anonymous": "ABC6",
"energy": -48.72461568,
"energy_per_atom": -3.04528848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.72461568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3859075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.302000Z",
"spacegroup": 38
},
{
"id": "mp-1028129",
"created_at": "2022-09-04T14:41:10.185034Z",
"structure_string": "Y1 Mg14 Mn1\n1.0\n6.444585 0.000000 0.000000\n-3.222292 5.581174 -0.000000\n0.000000 0.000000 10.276801\nY Mg Mn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Y\n0.165433 0.832716 0.125000 Mg\n0.178196 0.839097 0.625000 Mg\n0.667284 0.334567 0.125000 Mg\n0.660903 0.321804 0.625000 Mg\n0.667284 0.832716 0.125000 Mg\n0.660903 0.839097 0.625000 Mg\n0.331430 0.168570 0.365447 Mg\n0.331430 0.168570 0.884553 Mg\n0.331430 0.662860 0.365447 Mg\n0.331430 0.662860 0.884553 Mg\n0.837140 0.168570 0.365447 Mg\n0.837140 0.168570 0.884553 Mg\n0.833333 0.666667 0.379770 Mg\n0.833333 0.666667 0.870230 Mg\n0.166667 0.333333 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Y",
"density": 2.1747942691605493,
"density_atomic": 0.04328540817429641,
"volume": 369.63957774345454,
"volume_molar": 13.912634797737791,
"formula_full": "Y1 Mg14 Mn1",
"formula_reduced": "YMg14Mn",
"formula_anonymous": "ABC14",
"energy": -37.08055847,
"energy_per_atom": -2.317534904375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -37.08055847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6507939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.811000Z",
"spacegroup": 187
},
{
"id": "mp-1023141",
"created_at": "2022-09-04T14:40:18.159651Z",
"structure_string": "Mg12 Mn2 Zn2\n1.0\n4.919630 0.000000 0.000000\n0.000000 6.155768 0.000000\n0.000000 0.000000 10.670992\nMg Mn Zn\n12 2 2\ndirect\n0.000000 0.255831 0.085579 Mg\n0.000000 0.744169 0.085579 Mg\n0.000000 0.000000 0.333459 Mg\n0.500000 0.743120 0.412576 Mg\n0.500000 0.256880 0.412576 Mg\n0.500000 0.000000 0.167160 Mg\n0.000000 0.755831 0.585579 Mg\n0.000000 0.244169 0.585579 Mg\n0.000000 0.500000 0.833459 Mg\n0.500000 0.243120 0.912576 Mg\n0.500000 0.756880 0.912576 Mg\n0.500000 0.500000 0.667160 Mg\n0.000000 0.500000 0.329526 Mn\n0.000000 0.000000 0.829526 Mn\n0.500000 0.500000 0.173545 Zn\n0.500000 0.000000 0.673545 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Zn"
],
"chemical_system": "Mg-Mn-Zn",
"density": 2.7354590221688055,
"density_atomic": 0.04951086380992873,
"volume": 323.1613987068312,
"volume_molar": 12.163271445068872,
"formula_full": "Mg12 Mn2 Zn2",
"formula_reduced": "Mg6MnZn",
"formula_anonymous": "ABC6",
"energy": -38.66913461,
"energy_per_atom": -2.416820913125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.66913461,
"band_gap": 0.0,
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"total_magnetization": 7.3611562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.279000Z",
"spacegroup": 38
},
{
"id": "mp-1028138",
"created_at": "2022-09-04T14:43:58.592752Z",
"structure_string": "Mg14 Mn1 Zn1\n1.0\n6.264218 0.001732 0.000000\n-3.130609 5.422374 0.000000\n0.000000 0.000000 10.150589\nMg Mn Zn\n14 1 1\ndirect\n0.168207 0.334103 0.625000 Mg\n0.167840 0.833919 0.625000 Mg\n0.669213 0.332649 0.125000 Mg\n0.665660 0.333117 0.625000 Mg\n0.669213 0.836563 0.125000 Mg\n0.665660 0.832541 0.625000 Mg\n0.328313 0.164928 0.364647 Mg\n0.328313 0.164928 0.885353 Mg\n0.328313 0.663386 0.364647 Mg\n0.328313 0.663386 0.885353 Mg\n0.838307 0.169154 0.370988 Mg\n0.838307 0.169154 0.879012 Mg\n0.836996 0.668498 0.371159 Mg\n0.836996 0.668498 0.878841 Mg\n0.162743 0.331371 0.125000 Mn\n0.167606 0.833803 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Zn"
],
"chemical_system": "Mg-Mn-Zn",
"density": 2.218054458292802,
"density_atomic": 0.04639840860704875,
"volume": 344.83941325455964,
"volume_molar": 12.9791967888423,
"formula_full": "Mg14 Mn1 Zn1",
"formula_reduced": "Mg14MnZn",
"formula_anonymous": "ABC14",
"energy": -32.02331781,
"energy_per_atom": -2.001457363125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.02331781,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.4072626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.728000Z",
"spacegroup": 38
},
{
"id": "mp-1023145",
"created_at": "2022-09-04T14:40:59.103123Z",
"structure_string": "Mg12 Mn2 Zn2\n1.0\n4.920771 0.000000 0.000000\n0.000000 6.167400 0.000000\n0.000000 0.000000 10.666043\nMg Mn Zn\n12 2 2\ndirect\n0.000000 0.249227 0.583388 Mg\n0.000000 0.750773 0.583388 Mg\n0.500000 0.251892 0.413724 Mg\n0.500000 0.748108 0.413724 Mg\n0.500000 0.000000 0.670464 Mg\n0.500000 0.000000 0.169258 Mg\n0.000000 0.749227 0.083388 Mg\n0.000000 0.250773 0.083388 Mg\n0.500000 0.751892 0.913724 Mg\n0.500000 0.248108 0.913724 Mg\n0.500000 0.500000 0.170464 Mg\n0.500000 0.500000 0.669258 Mg\n0.000000 0.000000 0.832642 Mn\n0.000000 0.500000 0.332642 Mn\n0.000000 0.000000 0.333417 Zn\n0.000000 0.500000 0.833417 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"Zn"
],
"chemical_system": "Mg-Mn-Zn",
"density": 2.7309332886069613,
"density_atomic": 0.049428949595091455,
"volume": 323.69694543516823,
"volume_molar": 12.183428556203891,
"formula_full": "Mg12 Mn2 Zn2",
"formula_reduced": "Mg6MnZn",
"formula_anonymous": "ABC6",
"energy": -38.61735943,
"energy_per_atom": -2.413584964375,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.4112694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.582000Z",
"spacegroup": 38
},
{
"id": "mp-1028133",
"created_at": "2022-09-04T14:48:30.752434Z",
"structure_string": "Mg14 Mn1 Zn1\n1.0\n6.259045 0.000000 -0.000000\n-3.129522 5.420491 0.000000\n0.000000 0.000000 10.141684\nMg Mn Zn\n14 1 1\ndirect\n0.167538 0.833769 0.125000 Mg\n0.165134 0.832566 0.625000 Mg\n0.666231 0.332462 0.125000 Mg\n0.667434 0.334866 0.625000 Mg\n0.666231 0.833769 0.125000 Mg\n0.667434 0.832566 0.625000 Mg\n0.329905 0.170095 0.374695 Mg\n0.329905 0.170095 0.875305 Mg\n0.329905 0.659810 0.374695 Mg\n0.329905 0.659810 0.875305 Mg\n0.840190 0.170095 0.374695 Mg\n0.840190 0.170095 0.875305 Mg\n0.833333 0.666667 0.375104 Mg\n0.833333 0.666667 0.874896 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Zn"
],
"chemical_system": "Mg-Mn-Zn",
"density": 2.222963471350259,
"density_atomic": 0.04650109787729891,
"volume": 344.0778977352047,
"volume_molar": 12.950534578539301,
"formula_full": "Mg14 Mn1 Zn1",
"formula_reduced": "Mg14MnZn",
"formula_anonymous": "ABC14",
"energy": -32.06057131,
"energy_per_atom": -2.003785706875,
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"updated_at": "2021-11-28T01:39:55.440000Z",
"spacegroup": 187
},
{
"id": "mp-1028137",
"created_at": "2022-09-04T14:40:21.114067Z",
"structure_string": "Mg14 Zr1 Mn1\n1.0\n6.369678 0.000000 0.000000\n-3.184839 5.516303 -0.000000\n0.000000 0.000000 10.116638\nMg Zr Mn\n14 1 1\ndirect\n0.166030 0.833014 0.125000 Mg\n0.172482 0.836240 0.625000 Mg\n0.666986 0.333970 0.125000 Mg\n0.663760 0.327518 0.625000 Mg\n0.666986 0.833014 0.125000 Mg\n0.663760 0.836240 0.625000 Mg\n0.329276 0.170724 0.372058 Mg\n0.329276 0.170724 0.877942 Mg\n0.329276 0.658552 0.372058 Mg\n0.329276 0.658552 0.877942 Mg\n0.841448 0.170724 0.372058 Mg\n0.841448 0.170724 0.877942 Mg\n0.833333 0.666667 0.377757 Mg\n0.833333 0.666667 0.872243 Mg\n0.166667 0.333333 0.625000 Zr\n0.166667 0.333333 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Mn"
],
"chemical_system": "Mg-Mn-Zr",
"density": 2.272319907777874,
"density_atomic": 0.04501095018480555,
"volume": 355.4690566252733,
"volume_molar": 13.37927934263629,
"formula_full": "Mg14 Zr1 Mn1",
"formula_reduced": "Mg14ZrMn",
"formula_anonymous": "ABC14",
"energy": -38.82857097,
"energy_per_atom": -2.426785685625,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 4.4978267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.030000Z",
"spacegroup": 187
},
{
"id": "mp-1028147",
"created_at": "2022-09-04T14:46:17.401654Z",
"structure_string": "Mg14 Zr1 Mn1\n1.0\n6.383671 0.060329 0.000000\n-3.139589 5.437927 0.000000\n0.000000 0.000000 10.136794\nMg Zr Mn\n14 1 1\ndirect\n0.166149 0.333074 0.625000 Mg\n0.167524 0.833761 0.625000 Mg\n0.660161 0.336075 0.125000 Mg\n0.665460 0.331167 0.625000 Mg\n0.660161 0.824085 0.125000 Mg\n0.665460 0.834292 0.625000 Mg\n0.329584 0.166350 0.368397 Mg\n0.329584 0.166350 0.881603 Mg\n0.329584 0.663235 0.368397 Mg\n0.329584 0.663235 0.881603 Mg\n0.843075 0.171538 0.363799 Mg\n0.843075 0.171538 0.886201 Mg\n0.836792 0.668396 0.376129 Mg\n0.836792 0.668396 0.873871 Mg\n0.156588 0.828294 0.125000 Zr\n0.180429 0.340214 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Mn"
],
"chemical_system": "Mg-Mn-Zr",
"density": 2.28298786033905,
"density_atomic": 0.04522226492075508,
"volume": 353.80801974508546,
"volume_molar": 13.316760605761026,
"formula_full": "Mg14 Zr1 Mn1",
"formula_reduced": "Mg14ZrMn",
"formula_anonymous": "ABC14",
"energy": -39.06370172,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:27.409000Z",
"spacegroup": 38
},
{
"id": "mp-1023155",
"created_at": "2022-09-04T14:44:22.860431Z",
"structure_string": "Mg12 Zr2 Mn2\n1.0\n4.929492 0.000000 0.000000\n0.000000 6.231851 0.000000\n0.000000 0.000000 11.186367\nMg Zr Mn\n12 2 2\ndirect\n0.000000 0.744143 0.080054 Mg\n0.000000 0.255857 0.080054 Mg\n0.000000 0.000000 0.329017 Mg\n0.500000 0.257809 0.422904 Mg\n0.500000 0.742191 0.422904 Mg\n0.500000 0.000000 0.165590 Mg\n0.000000 0.244143 0.580054 Mg\n0.000000 0.755857 0.580054 Mg\n0.000000 0.500000 0.829017 Mg\n0.500000 0.757809 0.922904 Mg\n0.500000 0.242191 0.922904 Mg\n0.500000 0.500000 0.665590 Mg\n0.500000 0.500000 0.186410 Zr\n0.500000 0.000000 0.686410 Zr\n0.000000 0.500000 0.313066 Mn\n0.000000 0.000000 0.813066 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Mn"
],
"chemical_system": "Mg-Mn-Zr",
"density": 2.821901316780913,
"density_atomic": 0.046559862810938525,
"volume": 343.6436242299461,
"volume_molar": 12.934189227433013,
"formula_full": "Mg12 Zr2 Mn2",
"formula_reduced": "Mg6ZrMn",
"formula_anonymous": "ABC6",
"energy": -52.67708862,
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"updated_at": "2021-11-28T01:36:38.960000Z",
"spacegroup": 38
},
{
"id": "mp-1023204",
"created_at": "2022-09-04T14:44:15.536598Z",
"structure_string": "Mg12 Zr2 Mn2\n1.0\n4.994018 0.000000 0.000000\n0.000000 6.140648 0.000000\n0.000000 0.000000 11.184714\nMg Zr Mn\n12 2 2\ndirect\n0.500000 0.251613 0.421801 Mg\n0.500000 0.748387 0.421801 Mg\n0.000000 0.752148 0.085108 Mg\n0.000000 0.247852 0.085108 Mg\n0.000000 0.000000 0.319555 Mg\n0.000000 0.500000 0.331551 Mg\n0.500000 0.751613 0.921801 Mg\n0.500000 0.248387 0.921801 Mg\n0.000000 0.252148 0.585108 Mg\n0.000000 0.747852 0.585108 Mg\n0.000000 0.500000 0.819555 Mg\n0.000000 0.000000 0.831551 Mg\n0.500000 0.500000 0.174336 Zr\n0.500000 0.000000 0.674336 Zr\n0.500000 0.000000 0.160735 Mn\n0.500000 0.500000 0.660735 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Mn"
],
"chemical_system": "Mg-Mn-Zr",
"density": 2.827228584294684,
"density_atomic": 0.04664775987634026,
"volume": 342.9961061884817,
"volume_molar": 12.909817697493398,
"formula_full": "Mg12 Zr2 Mn2",
"formula_reduced": "Mg6ZrMn",
"formula_anonymous": "ABC6",
"energy": -52.21715609,
"energy_per_atom": -3.263572255625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.21715609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8011632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.668000Z",
"spacegroup": 38
}
]
}