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{
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"results": [
{
"id": "mp-1022926",
"created_at": "2022-09-04T14:40:11.731469Z",
"structure_string": "Mg12 Mn2 Sb2\n1.0\n5.064161 0.000000 0.000000\n0.000000 6.309322 0.000000\n0.000000 0.000000 10.785424\nMg Mn Sb\n12 2 2\ndirect\n0.000000 0.243753 0.081612 Mg\n0.000000 0.756247 0.081612 Mg\n0.000000 0.500000 0.833674 Mg\n0.500000 0.244569 0.914547 Mg\n0.500000 0.755431 0.914547 Mg\n0.500000 0.500000 0.667756 Mg\n0.000000 0.743753 0.581612 Mg\n0.000000 0.256247 0.581612 Mg\n0.000000 0.000000 0.333674 Mg\n0.500000 0.744569 0.414547 Mg\n0.500000 0.255431 0.414547 Mg\n0.500000 0.000000 0.167756 Mg\n0.000000 0.500000 0.334648 Mn\n0.000000 0.000000 0.834648 Mn\n0.500000 0.500000 0.171604 Sb\n0.500000 0.000000 0.671604 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 3.108273011612431,
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"volume": 344.60963808246237,
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"formula_full": "Mg12 Mn2 Sb2",
"formula_reduced": "Mg6MnSb",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:34:50.413000Z",
"spacegroup": 38
},
{
"id": "mp-1028096",
"created_at": "2022-09-04T14:39:38.042714Z",
"structure_string": "Mg14 Mn1 Si1\n1.0\n6.207337 0.000000 -0.000000\n-3.103668 5.375711 0.000000\n0.000000 0.000000 10.209898\nMg Mn Si\n14 1 1\ndirect\n0.167583 0.833791 0.125000 Mg\n0.165127 0.832563 0.625000 Mg\n0.666209 0.332417 0.125000 Mg\n0.667437 0.334873 0.625000 Mg\n0.666209 0.833791 0.125000 Mg\n0.667437 0.832563 0.625000 Mg\n0.329617 0.170383 0.374102 Mg\n0.329617 0.170383 0.875898 Mg\n0.329617 0.659234 0.374102 Mg\n0.329617 0.659234 0.875898 Mg\n0.840766 0.170383 0.374102 Mg\n0.840766 0.170383 0.875898 Mg\n0.833333 0.666667 0.373278 Mg\n0.833333 0.666667 0.876722 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Si"
],
"chemical_system": "Mg-Mn-Si",
"density": 2.0631371670417913,
"density_atomic": 0.04696316332971982,
"volume": 340.6925527496287,
"volume_molar": 12.823115678387433,
"formula_full": "Mg14 Mn1 Si1",
"formula_reduced": "Mg14MnSi",
"formula_anonymous": "ABC14",
"energy": -35.80771472,
"energy_per_atom": -2.23798217,
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"band_gap": 0.0,
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"total_magnetization": 3.8696937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.299000Z",
"spacegroup": 187
},
{
"id": "mp-1028099",
"created_at": "2022-09-04T14:42:24.815272Z",
"structure_string": "Mg14 Mn1 Si1\n1.0\n6.220533 0.001658 0.000000\n-3.108831 5.384653 0.000000\n0.000000 0.000000 10.154910\nMg Mn Si\n14 1 1\ndirect\n0.169726 0.334862 0.625000 Mg\n0.167912 0.833955 0.625000 Mg\n0.673147 0.335073 0.125000 Mg\n0.664937 0.333399 0.625000 Mg\n0.673147 0.838074 0.125000 Mg\n0.664937 0.831537 0.625000 Mg\n0.327850 0.164233 0.360723 Mg\n0.327850 0.164233 0.889277 Mg\n0.327850 0.663618 0.360723 Mg\n0.327850 0.663618 0.889277 Mg\n0.838813 0.169407 0.370896 Mg\n0.838813 0.169407 0.879104 Mg\n0.837523 0.668762 0.369959 Mg\n0.837523 0.668762 0.880041 Mg\n0.161371 0.330685 0.125000 Mn\n0.160753 0.830376 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Si"
],
"chemical_system": "Mg-Mn-Si",
"density": 2.0661531909786386,
"density_atomic": 0.04703181704165677,
"volume": 340.19523391640524,
"volume_molar": 12.80439740328574,
"formula_full": "Mg14 Mn1 Si1",
"formula_reduced": "Mg14MnSi",
"formula_anonymous": "ABC14",
"energy": -35.935500610000005,
"energy_per_atom": -2.2459687881250003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.00650061,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.5946085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.074000Z",
"spacegroup": 38
},
{
"id": "mp-1023005",
"created_at": "2022-09-04T14:43:14.148266Z",
"structure_string": "Mg12 Mn2 Si2\n1.0\n4.788625 0.000000 0.000000\n0.000000 6.189486 0.000000\n0.000000 0.000000 10.608603\nMg Mn Si\n12 2 2\ndirect\n0.000000 0.255290 0.086363 Mg\n0.000000 0.744710 0.086363 Mg\n0.000000 0.500000 0.834230 Mg\n0.500000 0.241337 0.911239 Mg\n0.500000 0.758663 0.911239 Mg\n0.500000 0.500000 0.666736 Mg\n0.000000 0.755290 0.586363 Mg\n0.000000 0.244710 0.586363 Mg\n0.000000 0.000000 0.334230 Mg\n0.500000 0.741337 0.411239 Mg\n0.500000 0.258663 0.411239 Mg\n0.500000 0.000000 0.166736 Mg\n0.000000 0.500000 0.322586 Mn\n0.000000 0.000000 0.822586 Mn\n0.500000 0.500000 0.181245 Si\n0.500000 0.000000 0.681245 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Si"
],
"chemical_system": "Mg-Mn-Si",
"density": 2.417203010479319,
"density_atomic": 0.050885772486968336,
"volume": 314.4297358185442,
"volume_molar": 11.834625801430542,
"formula_full": "Mg12 Mn2 Si2",
"formula_reduced": "Mg6MnSi",
"formula_anonymous": "ABC6",
"energy": -46.39753456,
"energy_per_atom": -2.89984591,
"energy_above_hull": null,
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"energy_uncorrected": -46.53953456,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.6611256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.221000Z",
"spacegroup": 38
},
{
"id": "mp-1022974",
"created_at": "2022-09-04T14:45:16.762796Z",
"structure_string": "Mg12 Mn2 Si2\n1.0\n4.878514 0.000000 0.000000\n0.000000 6.118467 0.000000\n0.000000 0.000000 10.658045\nMg Mn Si\n12 2 2\ndirect\n0.500000 0.248993 0.416499 Mg\n0.500000 0.751007 0.416499 Mg\n0.000000 0.752790 0.086152 Mg\n0.000000 0.247210 0.086152 Mg\n0.000000 0.000000 0.328255 Mg\n0.000000 0.500000 0.329798 Mg\n0.500000 0.748993 0.916499 Mg\n0.500000 0.251007 0.916499 Mg\n0.000000 0.252790 0.586152 Mg\n0.000000 0.747210 0.586152 Mg\n0.000000 0.500000 0.828255 Mg\n0.000000 0.000000 0.829798 Mg\n0.500000 0.000000 0.168231 Mn\n0.500000 0.500000 0.668231 Mn\n0.500000 0.500000 0.168410 Si\n0.500000 0.000000 0.668410 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Si"
],
"chemical_system": "Mg-Mn-Si",
"density": 2.389070744036605,
"density_atomic": 0.05029354580863781,
"volume": 318.1322720986603,
"volume_molar": 11.973983267979705,
"formula_full": "Mg12 Mn2 Si2",
"formula_reduced": "Mg6MnSi",
"formula_anonymous": "ABC6",
"energy": -46.31865964,
"energy_per_atom": -2.8949162275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -46.46065964,
"band_gap": 0.0,
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"total_magnetization": 7.3282657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.998000Z",
"spacegroup": 38
},
{
"id": "mp-1028154",
"created_at": "2022-09-04T14:41:01.357514Z",
"structure_string": "Mg14 Mn1 Sn1\n1.0\n6.297397 0.004041 0.000000\n-3.145199 5.447643 0.000000\n0.000000 0.000000 10.300285\nMg Mn Sn\n14 1 1\ndirect\n0.167079 0.333539 0.625000 Mg\n0.166641 0.833320 0.625000 Mg\n0.667913 0.333289 0.125000 Mg\n0.666316 0.333421 0.625000 Mg\n0.667913 0.834623 0.125000 Mg\n0.666316 0.832895 0.625000 Mg\n0.331588 0.169377 0.372148 Mg\n0.331588 0.169377 0.877852 Mg\n0.331588 0.662211 0.372148 Mg\n0.331588 0.662211 0.877852 Mg\n0.837905 0.168953 0.372281 Mg\n0.837905 0.168953 0.877719 Mg\n0.832758 0.666380 0.376531 Mg\n0.832758 0.666380 0.873469 Mg\n0.165531 0.332765 0.125000 Mn\n0.164613 0.832306 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sn"
],
"chemical_system": "Mg-Mn-Sn",
"density": 2.4141438385006215,
"density_atomic": 0.04526266911794959,
"volume": 353.49218929855283,
"volume_molar": 13.304873259477818,
"formula_full": "Mg14 Mn1 Sn1",
"formula_reduced": "Mg14MnSn",
"formula_anonymous": "ABC14",
"energy": -35.2627661,
"energy_per_atom": -2.20392288125,
"energy_above_hull": null,
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"energy_uncorrected": -35.2627661,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.6429768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.530000Z",
"spacegroup": 38
},
{
"id": "mp-1210657",
"created_at": "2022-09-04T14:43:55.061144Z",
"structure_string": "Mg1 Mn6 Sn6\n1.0\n2.722850 -4.716115 0.000000\n2.722850 4.716115 0.000000\n0.000000 0.000000 8.993734\nMg Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.249089 Mn\n0.500000 0.000000 0.750911 Mn\n0.000000 0.500000 0.249089 Mn\n0.000000 0.500000 0.750911 Mn\n0.500000 0.500000 0.249089 Mn\n0.500000 0.500000 0.750911 Mn\n0.000000 0.000000 0.325756 Sn\n0.000000 0.000000 0.674244 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
"Sn"
],
"chemical_system": "Mg-Mn-Sn",
"density": 7.664907115749357,
"density_atomic": 0.056281441781297126,
"volume": 230.98200025714385,
"volume_molar": 10.700047065960586,
"formula_full": "Mg1 Mn6 Sn6",
"formula_reduced": "Mg(MnSn)6",
"formula_anonymous": "AB6C6",
"energy": -80.70579076,
"energy_per_atom": -6.208137750769231,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.965000Z",
"spacegroup": 191
},
{
"id": "mp-1022978",
"created_at": "2022-09-04T14:47:14.058871Z",
"structure_string": "Mg12 Mn2 Sn2\n1.0\n4.964773 0.000000 0.000000\n0.000000 6.346632 0.000000\n0.000000 0.000000 10.862485\nMg Mn Sn\n12 2 2\ndirect\n0.000000 0.744703 0.581856 Mg\n0.000000 0.255297 0.581856 Mg\n0.000000 0.000000 0.333519 Mg\n0.500000 0.744672 0.414268 Mg\n0.500000 0.255328 0.414268 Mg\n0.500000 0.000000 0.167858 Mg\n0.000000 0.244703 0.081856 Mg\n0.000000 0.755297 0.081856 Mg\n0.000000 0.500000 0.833519 Mg\n0.500000 0.244672 0.914268 Mg\n0.500000 0.755328 0.914268 Mg\n0.500000 0.500000 0.667858 Mg\n0.000000 0.000000 0.833928 Mn\n0.000000 0.500000 0.333928 Mn\n0.500000 0.000000 0.672448 Sn\n0.500000 0.500000 0.172448 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"Sn"
],
"chemical_system": "Mg-Mn-Sn",
"density": 3.0999037395143185,
"density_atomic": 0.04674639014585653,
"volume": 342.2724182568394,
"volume_molar": 12.882579256301755,
"formula_full": "Mg12 Mn2 Sn2",
"formula_reduced": "Mg6MnSn",
"formula_anonymous": "ABC6",
"energy": -44.75505399,
"energy_per_atom": -2.797190874375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:03.225000Z",
"spacegroup": 38
},
{
"id": "mp-1022979",
"created_at": "2022-09-04T14:45:24.340167Z",
"structure_string": "Mg12 Mn2 Sn2\n1.0\n5.014982 0.000000 0.000000\n0.000000 6.253650 0.000000\n0.000000 0.000000 10.924442\nMg Mn Sn\n12 2 2\ndirect\n0.500000 0.749230 0.916507 Mg\n0.500000 0.250770 0.916507 Mg\n0.000000 0.259570 0.583633 Mg\n0.000000 0.740430 0.583633 Mg\n0.000000 0.500000 0.829077 Mg\n0.000000 0.000000 0.835733 Mg\n0.500000 0.249230 0.416507 Mg\n0.500000 0.750770 0.416507 Mg\n0.000000 0.759570 0.083633 Mg\n0.000000 0.240430 0.083633 Mg\n0.000000 0.000000 0.329077 Mg\n0.000000 0.500000 0.335733 Mg\n0.500000 0.500000 0.667127 Mn\n0.500000 0.000000 0.167127 Mn\n0.500000 0.000000 0.667777 Sn\n0.500000 0.500000 0.167777 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sn"
],
"chemical_system": "Mg-Mn-Sn",
"density": 3.096833798454789,
"density_atomic": 0.046700095591395284,
"volume": 342.6117183997387,
"volume_molar": 12.895349963929428,
"formula_full": "Mg12 Mn2 Sn2",
"formula_reduced": "Mg6MnSn",
"formula_anonymous": "ABC6",
"energy": -44.80559221,
"energy_per_atom": -2.800349513125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:07.678000Z",
"spacegroup": 38
},
{
"id": "mp-1028146",
"created_at": "2022-09-04T14:40:06.954919Z",
"structure_string": "Mg14 Mn1 Sn1\n1.0\n6.286372 -0.000000 0.000000\n-3.143186 5.444157 -0.000000\n-0.000000 -0.000000 10.378720\nMg Mn Sn\n14 1 1\ndirect\n0.166856 0.833428 0.125000 Mg\n0.165734 0.832867 0.625000 Mg\n0.666572 0.333144 0.125000 Mg\n0.667133 0.334266 0.625000 Mg\n0.666572 0.833428 0.125000 Mg\n0.667133 0.832867 0.625000 Mg\n0.330588 0.169412 0.367080 Mg\n0.330588 0.169412 0.882920 Mg\n0.330588 0.661177 0.367080 Mg\n0.330588 0.661177 0.882920 Mg\n0.838823 0.169412 0.367080 Mg\n0.838823 0.169412 0.882920 Mg\n0.833333 0.666667 0.372642 Mg\n0.833333 0.666667 0.877358 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sn"
],
"chemical_system": "Mg-Mn-Sn",
"density": 2.4025279619936937,
"density_atomic": 0.045044883596447864,
"volume": 355.2012730977891,
"volume_molar": 13.369200404538047,
"formula_full": "Mg14 Mn1 Sn1",
"formula_reduced": "Mg14MnSn",
"formula_anonymous": "ABC14",
"energy": -35.20570582,
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"updated_at": "2021-11-28T01:34:53.238000Z",
"spacegroup": 187
},
{
"id": "mp-1023063",
"created_at": "2022-09-04T14:40:33.126085Z",
"structure_string": "Sr2 Mg12 Mn2\n1.0\n5.094838 0.000000 0.000000\n0.000000 6.539721 0.000000\n0.000000 0.000000 11.307268\nSr Mg Mn\n2 12 2\ndirect\n0.000000 0.500000 0.833669 Sr\n0.000000 0.000000 0.333669 Sr\n0.000000 0.245318 0.080285 Mg\n0.000000 0.754682 0.080285 Mg\n0.500000 0.220070 0.912942 Mg\n0.500000 0.779930 0.912942 Mg\n0.500000 0.500000 0.179170 Mg\n0.500000 0.500000 0.653884 Mg\n0.000000 0.745318 0.580285 Mg\n0.000000 0.254682 0.580285 Mg\n0.500000 0.720070 0.412942 Mg\n0.500000 0.279930 0.412942 Mg\n0.500000 0.000000 0.679170 Mg\n0.500000 0.000000 0.153884 Mg\n0.000000 0.500000 0.346826 Mn\n0.000000 0.000000 0.846826 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Sr",
"density": 2.5421961710798153,
"density_atomic": 0.04246906472719093,
"volume": 376.744816557167,
"volume_molar": 14.180064474422737,
"formula_full": "Sr2 Mg12 Mn2",
"formula_reduced": "SrMg6Mn",
"formula_anonymous": "ABC6",
"energy": -37.59001989,
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"updated_at": "2021-11-28T01:35:00.820000Z",
"spacegroup": 38
},
{
"id": "mp-1028062",
"created_at": "2022-09-04T14:43:42.836036Z",
"structure_string": "Sr1 Mg14 Mn1\n1.0\n6.537039 0.036056 0.000000\n-3.237294 5.607157 0.000000\n0.000000 0.000000 10.435994\nSr Mg Mn\n1 14 1\ndirect\n0.161175 0.830587 0.125000 Sr\n0.164367 0.332183 0.625000 Mg\n0.167612 0.833806 0.625000 Mg\n0.655884 0.336961 0.125000 Mg\n0.666524 0.330800 0.625000 Mg\n0.655884 0.818922 0.125000 Mg\n0.666524 0.835723 0.625000 Mg\n0.336619 0.177733 0.381116 Mg\n0.336619 0.177733 0.868884 Mg\n0.336619 0.658887 0.381116 Mg\n0.336619 0.658887 0.868884 Mg\n0.841291 0.170646 0.363715 Mg\n0.841291 0.170646 0.886285 Mg\n0.826424 0.663213 0.387552 Mg\n0.826424 0.663213 0.862448 Mg\n0.180124 0.340062 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Sr",
"density": 2.0893114100806924,
"density_atomic": 0.04169476910092289,
"volume": 383.7411825275188,
"volume_molar": 14.443396353684816,
"formula_full": "Sr1 Mg14 Mn1",
"formula_reduced": "SrMg14Mn",
"formula_anonymous": "ABC14",
"energy": -31.68444985,
"energy_per_atom": -1.980278115625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.68444985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9164137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.026000Z",
"spacegroup": 38
}
]
}