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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10188",
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"results": [
{
"id": "mp-1233475",
"created_at": "2022-09-04T14:41:50.944974Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O10\n1.0\n0.000102 -0.041880 5.846352\n0.000037 5.851511 -0.044469\n-8.221360 2.904751 2.900758\nSr Mg Mn Ga O\n4 1 2 2 10\ndirect\n0.085967 0.610306 0.803801 Sr\n0.914033 0.389694 0.196199 Sr\n0.610215 0.085898 0.803802 Sr\n0.389785 0.914102 0.196198 Sr\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.669162 0.670463 0.499974 Ga\n0.330838 0.329537 0.500026 Ga\n0.267358 0.267348 0.965355 O\n0.249629 0.749644 0.000732 O\n0.750371 0.250356 0.999268 O\n0.732642 0.732652 0.034645 O\n0.730799 0.732684 0.672089 O\n0.269201 0.267316 0.327911 O\n0.097123 0.095179 0.672107 O\n0.902877 0.904821 0.327893 O\n0.336229 0.662200 0.500020 O\n0.663771 0.337800 0.499980 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.629610727519925,
"density_atomic": 0.06755802137968586,
"volume": 281.23973455671904,
"volume_molar": 8.91402773055578,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O10",
"formula_reduced": "Sr4MgMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -131.59930934,
"energy_per_atom": -6.926279438947368,
"energy_above_hull": null,
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"energy_uncorrected": -121.39330934,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.556000Z",
"spacegroup": 69
},
{
"id": "mp-1233526",
"created_at": "2022-09-04T14:44:18.397395Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O11\n1.0\n-4.742447 4.310167 -0.163003\n-4.238488 -3.779128 -0.161164\n-4.139293 0.255867 7.438892\nSr Mg Mn Ga O\n4 1 2 2 11\ndirect\n0.997917 0.507617 0.779265 Sr\n0.586966 0.200797 0.713598 Sr\n0.393713 0.839539 0.271232 Sr\n0.957552 0.357709 0.240789 Sr\n0.385304 0.758477 0.688493 Mg\n0.242520 0.247851 0.498400 Mn\n0.823047 0.799231 0.471785 Mn\n0.517947 0.480395 0.009039 Ga\n0.918505 0.933997 0.998494 Ga\n0.163627 0.019648 0.783006 O\n0.668021 0.726462 0.733553 O\n0.333729 0.420954 0.242568 O\n0.979219 0.891809 0.205329 O\n0.569118 0.028740 0.462797 O\n0.932249 0.462346 0.517794 O\n0.082427 0.995510 0.478795 O\n0.375109 0.510401 0.549859 O\n0.695648 0.186097 0.976501 O\n0.749720 0.649237 0.047882 O\n0.282423 0.471279 0.924571 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.837834340269851,
"density_atomic": 0.07282615057699791,
"volume": 274.626625759305,
"volume_molar": 8.269200983831883,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O11",
"formula_reduced": "Sr4MgMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -138.33181061,
"energy_per_atom": -6.9165905305,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -127.43881061,
"band_gap": 0.6034000000000002,
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"total_magnetization": 8.0008513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.249000Z",
"spacegroup": 1
},
{
"id": "mp-1234993",
"created_at": "2022-09-04T14:43:03.522481Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O11\n1.0\n-4.016920 3.921594 -0.089712\n-4.025596 -3.930126 -0.045743\n-3.882731 -0.049237 8.297153\nSr Mg Mn Ga O\n4 1 2 2 11\ndirect\n0.076515 0.582228 0.822471 Sr\n0.629652 0.131742 0.741429 Sr\n0.423485 0.917772 0.177529 Sr\n0.870348 0.368258 0.258571 Sr\n0.250000 0.750000 0.500000 Mg\n0.250000 0.250000 0.500000 Mn\n0.750000 0.750000 0.500000 Mn\n0.508422 0.490531 0.999774 Ga\n0.991578 0.009469 0.000226 Ga\n0.160651 0.053279 0.775084 O\n0.554683 0.663102 0.771751 O\n0.339349 0.446721 0.224916 O\n0.945317 0.836898 0.228249 O\n0.516685 0.005277 0.443986 O\n0.983315 0.494723 0.556014 O\n0.002796 0.008454 0.499082 O\n0.497204 0.491546 0.500918 O\n0.750000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 5.032015556517708,
"density_atomic": 0.07574924994317055,
"volume": 264.02901698702794,
"volume_molar": 7.9500995251015665,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O11",
"formula_reduced": "Sr4MgMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -136.49030012,
"energy_per_atom": -6.824515006,
"energy_above_hull": null,
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"energy_uncorrected": -125.59730012,
"band_gap": 0.0390000000000001,
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"updated_at": "2021-11-28T01:35:55.690000Z",
"spacegroup": 12
},
{
"id": "mp-1233975",
"created_at": "2022-09-04T14:43:39.635620Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O11\n1.0\n-4.249858 4.055996 0.001771\n-4.249727 -4.055866 -0.001751\n-4.249852 0.003370 7.847854\nSr Mg Mn Ga O\n4 1 2 2 11\ndirect\n0.141218 0.641648 0.728812 Sr\n0.640585 0.140770 0.699194 Sr\n0.339952 0.839741 0.300787 Sr\n0.870493 0.370018 0.271174 Sr\n0.312658 0.812677 0.999989 Mg\n0.247536 0.247525 0.499986 Mn\n0.747286 0.747281 0.499990 Mn\n0.528933 0.412579 0.999364 Ga\n0.911897 0.028303 0.000664 Ga\n0.163372 0.013069 0.806609 O\n0.516953 0.663105 0.803699 O\n0.319712 0.469955 0.193449 O\n0.966768 0.820686 0.196343 O\n0.520943 0.021953 0.461057 O\n0.983094 0.482077 0.538893 O\n0.000834 0.000860 0.499972 O\n0.495296 0.495275 0.500021 O\n0.845234 0.345218 0.000004 O\n0.653721 0.865122 0.999801 O\n0.364946 0.153566 0.000191 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.910831945647684,
"density_atomic": 0.07392501718281679,
"volume": 270.54440786317224,
"volume_molar": 8.146282529914371,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O11",
"formula_reduced": "Sr4MgMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -137.63848611999998,
"energy_per_atom": -6.881924305999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -126.74548611999998,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.9963594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.243000Z",
"spacegroup": 42
},
{
"id": "mp-1234609",
"created_at": "2022-09-04T14:39:47.955858Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O11\n1.0\n-3.784290 4.504869 0.077571\n-3.819358 -4.544593 -0.086276\n-3.796266 0.127745 7.873456\nSr Mg Mn Ga O\n4 1 2 2 11\ndirect\n0.117619 0.620498 0.755635 Sr\n0.603656 0.107892 0.755571 Sr\n0.404966 0.806172 0.284154 Sr\n0.799386 0.457024 0.235688 Sr\n0.070817 0.108133 0.264917 Mg\n0.225322 0.245323 0.518980 Mn\n0.766839 0.711692 0.529266 Mn\n0.495392 0.490125 0.992321 Ga\n0.967399 0.048502 0.985516 Ga\n0.162659 0.087955 0.759553 O\n0.548007 0.680149 0.769909 O\n0.336263 0.363489 0.268942 O\n0.087049 0.864962 0.145401 O\n0.704187 0.008904 0.401934 O\n0.950806 0.455843 0.549884 O\n0.085132 0.932930 0.498962 O\n0.497479 0.503553 0.498631 O\n0.703222 0.265555 0.979594 O\n0.699775 0.765334 0.025541 O\n0.143075 0.345012 0.029603 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.90376766345029,
"density_atomic": 0.07381867528624884,
"volume": 270.93414942012186,
"volume_molar": 8.15801792249423,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O11",
"formula_reduced": "Sr4MgMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -138.39751452000002,
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"energy_above_hull": null,
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"energy_uncorrected": -127.50451452,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.585000Z",
"spacegroup": 1
},
{
"id": "mp-1233447",
"created_at": "2022-09-04T14:47:31.560445Z",
"structure_string": "Sr4 Mg1 S4 O16\n1.0\n0.000000 0.000000 5.214706\n4.717538 -0.033223 0.000000\n-0.076949 17.241380 0.000000\nSr Mg S O\n4 1 4 16\ndirect\n0.250000 0.274957 0.620691 Sr\n0.250000 0.247997 0.030348 Sr\n0.750000 0.704462 0.461386 Sr\n0.750000 0.801334 0.872459 Sr\n0.750000 -0.010881 0.267521 Mg\n0.250000 0.358796 0.847178 S\n0.250000 0.156693 0.435730 S\n0.750000 0.693827 0.066571 S\n0.750000 0.840034 0.654630 S\n0.750000 0.377302 0.069451 O\n0.750000 0.155112 0.656196 O\n0.250000 0.674021 0.847862 O\n0.250000 0.839466 0.434818 O\n0.750000 0.724358 0.733665 O\n0.750000 0.825938 0.143867 O\n0.250000 0.281624 0.359306 O\n0.250000 0.235355 0.769542 O\n0.018078 0.265924 0.893455 O\n0.482619 0.246426 0.483491 O\n0.516173 0.779482 0.020510 O\n0.982858 0.742970 0.610452 O\n0.983827 0.779482 0.020510 O\n0.517142 0.742970 0.610452 O\n0.481922 0.265924 0.893455 O\n0.017381 0.246426 0.483491 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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"S",
"O"
],
"chemical_system": "Mg-O-S-Sr",
"density": 2.971717485458051,
"density_atomic": 0.058943565091187276,
"volume": 424.13450834411407,
"volume_molar": 10.2167908416866,
"formula_full": "Sr4 Mg1 S4 O16",
"formula_reduced": "Sr4Mg(SO4)4",
"formula_anonymous": "AB4C4D16",
"energy": -165.43810637,
"energy_per_atom": -6.6175242548,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:12.765000Z",
"spacegroup": 6
},
{
"id": "mp-1233978",
"created_at": "2022-09-04T14:42:08.080747Z",
"structure_string": "Sr4 Mg1 S4 O16\n1.0\n0.000000 0.000000 5.224654\n4.687277 0.078918 0.000000\n0.267227 17.496097 0.000000\nSr Mg S O\n4 1 4 16\ndirect\n0.250000 0.278314 0.581034 Sr\n0.250000 0.267604 0.179251 Sr\n0.750000 0.724380 0.418482 Sr\n0.750000 0.751163 0.820671 Sr\n0.250000 0.773342 0.998105 Mg\n0.250000 0.313768 0.801821 S\n0.250000 0.167070 0.393635 S\n0.750000 0.704470 0.196712 S\n0.750000 0.835418 0.605703 S\n0.750000 0.386332 0.190421 O\n0.750000 0.152423 0.606270 O\n0.250000 0.633392 0.807247 O\n0.250000 0.850193 0.392415 O\n0.750000 0.707427 0.683294 O\n0.750000 0.786157 0.277487 O\n0.250000 0.297320 0.316251 O\n0.250000 0.230593 0.721124 O\n0.012859 0.207554 0.841286 O\n0.482689 0.257441 0.437384 O\n0.512461 0.812591 0.157497 O\n0.982522 0.744122 0.561927 O\n0.987539 0.812591 0.157497 O\n0.517478 0.744122 0.561927 O\n0.487141 0.207554 0.841286 O\n0.017311 0.257441 0.437384 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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],
"chemical_system": "Mg-O-S-Sr",
"density": 2.942412058866416,
"density_atomic": 0.05836229640455006,
"volume": 428.3587442602917,
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"formula_full": "Sr4 Mg1 S4 O16",
"formula_reduced": "Sr4Mg(SO4)4",
"formula_anonymous": "AB4C4D16",
"energy": -165.58456328999998,
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"updated_at": "2021-11-28T01:35:34.732000Z",
"spacegroup": 6
},
{
"id": "mp-1218475",
"created_at": "2022-09-04T14:40:18.021587Z",
"structure_string": "Sr4 Mg1 Ti1 Fe2 As2 O6\n1.0\n4.015363 0.000000 0.000000\n0.000000 4.015363 0.000000\n0.000000 0.000000 16.837343\nSr Mg Ti Fe As O\n4 1 1 2 2 6\ndirect\n0.000000 0.000000 0.791114 Sr\n0.500000 0.500000 0.194864 Sr\n0.000000 0.000000 0.599480 Sr\n0.500000 0.500000 0.426327 Sr\n0.500000 0.500000 0.683461 Mg\n0.000000 0.000000 0.311367 Ti\n0.000000 0.500000 0.004184 Fe\n0.500000 0.000000 0.004184 Fe\n0.500000 0.500000 0.908581 As\n0.000000 0.000000 0.105115 As\n0.000000 0.500000 0.703521 O\n0.500000 0.000000 0.703521 O\n0.500000 0.000000 0.293383 O\n0.000000 0.500000 0.293383 O\n0.500000 0.500000 0.559503 O\n0.000000 0.000000 0.418012 O\n",
"nsites": 16,
"nelements": 6,
"elements": [
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"Mg",
"Ti",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-Mg-O-Sr-Ti",
"density": 4.772232743847063,
"density_atomic": 0.05893819045793367,
"volume": 271.4708387835521,
"volume_molar": 10.217722521186362,
"formula_full": "Sr4 Mg1 Ti1 Fe2 As2 O6",
"formula_reduced": "Sr4MgTiFe2(AsO3)2",
"formula_anonymous": "ABC2D2E4F6",
"energy": -101.69731959,
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"updated_at": "2021-11-28T01:35:03.450000Z",
"spacegroup": 99
},
{
"id": "mp-1094333",
"created_at": "2022-09-04T14:39:40.997717Z",
"structure_string": "Sr4 Mg2\n1.0\n6.671043 -3.438763 0.000000\n6.671043 3.438763 0.000000\n4.898443 0.000000 5.686226\nSr Mg\n4 2\ndirect\n0.000000 0.672484 0.327516 Sr\n0.327516 0.000000 0.672484 Sr\n0.500000 0.500000 0.500000 Sr\n0.672484 0.327516 0.000000 Sr\n0.166363 0.166363 0.166363 Mg\n0.833637 0.833637 0.833637 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 2.5402113112528473,
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"volume": 260.8855937117075,
"volume_molar": 26.184829459801225,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.38073964,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:38.613000Z",
"spacegroup": 155
},
{
"id": "mp-1094355",
"created_at": "2022-09-04T14:39:18.731936Z",
"structure_string": "Sr4 Mg2\n1.0\n2.113863 -3.661317 0.000000\n2.113863 3.661317 0.000000\n0.000000 0.000000 17.598867\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.796603 Sr\n0.666667 0.333333 0.597310 Sr\n0.333333 0.666667 0.402690 Sr\n0.666667 0.333333 0.203397 Sr\n0.666667 0.333333 0.948060 Mg\n0.333333 0.666667 0.051940 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 2.4327140822522266,
"density_atomic": 0.0220253275760654,
"volume": 272.413655564429,
"volume_molar": 27.341889645919146,
"formula_full": "Sr4 Mg2",
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"formula_anonymous": "AB2",
"energy": -9.32360377,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:41.228000Z",
"spacegroup": 164
},
{
"id": "mp-1094285",
"created_at": "2022-09-04T14:39:13.574596Z",
"structure_string": "Sr4 Mg2\n1.0\n2.053319 -10.025617 0.000000\n2.053319 10.025617 0.000000\n0.000000 0.000000 6.253262\nSr Mg\n4 2\ndirect\n0.083880 0.916120 0.250000 Sr\n0.789212 0.210788 0.250000 Sr\n0.210788 0.789212 0.750000 Sr\n0.916120 0.083880 0.750000 Sr\n0.439561 0.560439 0.250000 Mg\n0.560439 0.439561 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5740429368288544,
"density_atomic": 0.0233048919690657,
"volume": 257.45667510341787,
"volume_molar": 25.840672284572836,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.75875764,
"energy_per_atom": -1.6264596066666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.75875764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.749000Z",
"spacegroup": 63
},
{
"id": "mp-1094317",
"created_at": "2022-09-04T14:42:22.025379Z",
"structure_string": "Sr4 Mg2\n1.0\n2.070593 7.261662 0.000000\n-2.070593 7.261662 0.000000\n0.000000 2.377650 8.384595\nSr Mg\n4 2\ndirect\n0.315745 0.315745 0.139356 Sr\n0.023134 0.023134 0.268116 Sr\n0.976866 0.976866 0.731884 Sr\n0.684255 0.684255 0.860644 Sr\n0.673956 0.673956 0.455052 Mg\n0.326044 0.326044 0.544948 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.628313016695664,
"density_atomic": 0.023796242882584924,
"volume": 252.1406437816723,
"volume_molar": 25.30710746950416,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.89304029,
"energy_per_atom": -1.6488400483333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.89304029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.717000Z",
"spacegroup": 12
}
]
}