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=-spacegroup&page=1714",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1712",
"results": [
{
"id": "mp-1210925",
"created_at": "2022-09-04T14:45:38.347058Z",
"structure_string": "Mg8 Be12 Tl8 F48\n1.0\n10.104166 0.000000 0.000000\n0.000000 10.104166 0.000000\n0.000000 0.000000 10.104166\nMg Be Tl F\n8 12 8 48\ndirect\n0.335245 0.335245 0.335245 Mg\n0.164755 0.664755 0.835245 Mg\n0.664755 0.835245 0.164755 Mg\n0.835245 0.164755 0.664755 Mg\n0.599436 0.599436 0.599436 Mg\n0.900564 0.400564 0.099436 Mg\n0.400564 0.099436 0.900564 Mg\n0.099436 0.900564 0.400564 Mg\n0.019819 0.214119 0.375626 Be\n0.480181 0.785881 0.875626 Be\n0.980181 0.714119 0.124374 Be\n0.375626 0.019819 0.214119 Be\n0.519819 0.285881 0.624374 Be\n0.875626 0.480181 0.785881 Be\n0.124374 0.980181 0.714119 Be\n0.624374 0.519819 0.285881 Be\n0.214119 0.375626 0.019819 Be\n0.714119 0.124374 0.980181 Be\n0.285881 0.624374 0.519819 Be\n0.785881 0.875626 0.480181 Be\n0.048991 0.048991 0.048991 Tl\n0.451009 0.951009 0.548991 Tl\n0.951009 0.548991 0.451009 Tl\n0.548991 0.451009 0.951009 Tl\n0.816842 0.816842 0.816842 Tl\n0.683158 0.183158 0.316842 Tl\n0.183158 0.316842 0.683158 Tl\n0.316842 0.683158 0.183158 Tl\n0.013930 0.065901 0.330635 F\n0.486070 0.934099 0.830635 F\n0.986070 0.565901 0.169365 F\n0.330635 0.013930 0.065901 F\n0.513930 0.434099 0.669365 F\n0.830635 0.486070 0.934099 F\n0.169365 0.986070 0.565901 F\n0.669365 0.513930 0.434099 F\n0.065901 0.330635 0.013930 F\n0.565901 0.169365 0.986070 F\n0.434099 0.669365 0.513930 F\n0.934099 0.830635 0.486070 F\n0.268553 0.494987 0.436104 F\n0.231447 0.505013 0.936104 F\n0.731447 0.994987 0.063896 F\n0.436104 0.268553 0.494987 F\n0.768553 0.005013 0.563896 F\n0.936104 0.231447 0.505013 F\n0.063896 0.731447 0.994987 F\n0.563896 0.768553 0.005013 F\n0.494987 0.436104 0.268553 F\n0.994987 0.063896 0.731447 F\n0.005013 0.563896 0.768553 F\n0.505013 0.936104 0.231447 F\n0.046282 0.806263 0.231708 F\n0.453718 0.193737 0.731708 F\n0.953718 0.306263 0.268292 F\n0.231708 0.046282 0.806263 F\n0.546282 0.693737 0.768292 F\n0.731708 0.453718 0.193737 F\n0.268292 0.953718 0.306263 F\n0.768292 0.546282 0.693737 F\n0.806263 0.231708 0.046282 F\n0.306263 0.268292 0.953718 F\n0.693737 0.768292 0.546282 F\n0.193737 0.731708 0.453718 F\n0.165909 0.256819 0.399978 F\n0.334091 0.743181 0.899978 F\n0.834091 0.756819 0.100022 F\n0.399978 0.165909 0.256819 F\n0.665909 0.243181 0.600022 F\n0.899978 0.334091 0.743181 F\n0.100022 0.834091 0.756819 F\n0.600022 0.665909 0.243181 F\n0.256819 0.399978 0.165909 F\n0.756819 0.100022 0.834091 F\n0.243181 0.600022 0.665909 F\n0.743181 0.899978 0.334091 F\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Mg",
"Be",
"Tl",
"F"
],
"chemical_system": "Be-F-Mg-Tl",
"density": 4.586991280898415,
"density_atomic": 0.0736736479652076,
"volume": 1031.5764469256499,
"volume_molar": 8.174077063272282,
"formula_full": "Mg8 Be12 Tl8 F48",
"formula_reduced": "Mg2Be3Tl2F12",
"formula_anonymous": "A2B2C3D12",
"energy": -422.33049093,
"energy_per_atom": -5.55698014381579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -400.15449093,
"band_gap": 5.670800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.895000Z",
"spacegroup": 198
},
{
"id": "mp-1210027",
"created_at": "2022-09-04T14:45:42.702147Z",
"structure_string": "Rb36 Co8 S28\n1.0\n13.260323 0.000000 0.000000\n0.000000 13.260323 0.000000\n0.000000 0.000000 13.260323\nRb Co S\n36 8 28\ndirect\n0.082376 0.548094 0.252215 Rb\n0.417624 0.451906 0.752215 Rb\n0.917624 0.048094 0.247785 Rb\n0.252215 0.082376 0.548094 Rb\n0.582376 0.951906 0.747785 Rb\n0.752215 0.417624 0.451906 Rb\n0.247785 0.917624 0.048094 Rb\n0.747785 0.582376 0.951906 Rb\n0.548094 0.252215 0.082376 Rb\n0.048094 0.247785 0.917624 Rb\n0.951906 0.747785 0.582376 Rb\n0.451906 0.752215 0.417624 Rb\n0.488231 0.488231 0.488231 Rb\n0.011769 0.511769 0.988231 Rb\n0.511769 0.988231 0.011769 Rb\n0.988231 0.011769 0.511769 Rb\n0.040041 0.294892 0.421650 Rb\n0.459959 0.705108 0.921650 Rb\n0.959959 0.794892 0.078350 Rb\n0.421650 0.040041 0.294892 Rb\n0.540041 0.205108 0.578350 Rb\n0.921650 0.459959 0.705108 Rb\n0.078350 0.959959 0.794892 Rb\n0.578350 0.540041 0.205108 Rb\n0.294892 0.421650 0.040041 Rb\n0.794892 0.078350 0.959959 Rb\n0.205108 0.578350 0.540041 Rb\n0.705108 0.921650 0.459959 Rb\n0.663812 0.663812 0.663812 Rb\n0.836188 0.336188 0.163812 Rb\n0.336188 0.163812 0.836188 Rb\n0.163812 0.836188 0.336188 Rb\n0.306066 0.306066 0.306066 Rb\n0.193934 0.693934 0.806066 Rb\n0.693934 0.806066 0.193934 Rb\n0.806066 0.193934 0.693934 Rb\n0.150083 0.150083 0.150083 Co\n0.349917 0.849917 0.650083 Co\n0.849917 0.650083 0.349917 Co\n0.650083 0.349917 0.849917 Co\n0.823254 0.823254 0.823254 Co\n0.676746 0.176746 0.323254 Co\n0.176746 0.323254 0.676746 Co\n0.323254 0.676746 0.176746 Co\n0.088833 0.313846 0.159133 S\n0.411167 0.686154 0.659133 S\n0.911167 0.813846 0.340867 S\n0.159133 0.088833 0.313846 S\n0.588833 0.186154 0.840867 S\n0.659133 0.411167 0.686154 S\n0.340867 0.911167 0.813846 S\n0.840867 0.588833 0.186154 S\n0.313846 0.159133 0.088833 S\n0.813846 0.340867 0.911167 S\n0.186154 0.840867 0.588833 S\n0.686154 0.659133 0.411167 S\n0.047668 0.047668 0.047668 S\n0.452332 0.952332 0.547668 S\n0.952332 0.547668 0.452332 S\n0.547668 0.452332 0.952332 S\n0.066609 0.200693 0.670475 S\n0.433391 0.799307 0.170475 S\n0.933391 0.700693 0.829525 S\n0.670475 0.066609 0.200693 S\n0.566609 0.299307 0.329525 S\n0.170475 0.433391 0.799307 S\n0.829525 0.933391 0.700693 S\n0.329525 0.566609 0.299307 S\n0.200693 0.670475 0.066609 S\n0.700693 0.829525 0.933391 S\n0.299307 0.329525 0.566609 S\n0.799307 0.170475 0.433391 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Rb",
"Co",
"S"
],
"chemical_system": "Co-Rb-S",
"density": 3.166420510638957,
"density_atomic": 0.030879494885624848,
"volume": 2331.644357094641,
"volume_molar": 19.502070167616157,
"formula_full": "Rb36 Co8 S28",
"formula_reduced": "Rb9Co2S7",
"formula_anonymous": "A2B7C9",
"energy": -283.46475158,
"energy_per_atom": -3.937010438611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -269.38075158,
"band_gap": 0.1113999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0179167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.944000Z",
"spacegroup": 198
},
{
"id": "mp-867519",
"created_at": "2022-09-04T14:45:54.213245Z",
"structure_string": "Mo4 H72 C20 N16 O16\n1.0\n11.026466 0.000000 0.000000\n0.000000 11.026466 0.000000\n0.000000 0.000000 11.026466\nMo H C N O\n4 72 20 16 16\ndirect\n0.498722 0.998722 0.501278 Mo\n0.998722 0.501278 0.498722 Mo\n0.501278 0.498722 0.998722 Mo\n0.001278 0.001278 0.001278 Mo\n0.335310 0.235103 0.497401 H\n0.502599 0.835310 0.264897 H\n0.735103 0.002599 0.664690 H\n0.835310 0.264897 0.502599 H\n0.002599 0.664690 0.735103 H\n0.235103 0.497401 0.335310 H\n0.664690 0.735103 0.002599 H\n0.497401 0.335310 0.235103 H\n0.264897 0.502599 0.835310 H\n0.164690 0.764897 0.997401 H\n0.997401 0.164690 0.764897 H\n0.764897 0.997401 0.164690 H\n0.230572 0.355535 0.497792 H\n0.502208 0.730572 0.144465 H\n0.855535 0.002208 0.769428 H\n0.730572 0.144465 0.502208 H\n0.002208 0.769428 0.855535 H\n0.355535 0.497792 0.230572 H\n0.769428 0.855535 0.002208 H\n0.497792 0.230572 0.355535 H\n0.144465 0.502208 0.730572 H\n0.269428 0.644465 0.997792 H\n0.997792 0.269428 0.644465 H\n0.644465 0.997792 0.269428 H\n0.753990 0.644836 0.632330 H\n0.367670 0.253990 0.855164 H\n0.144836 0.867670 0.246010 H\n0.253990 0.855164 0.367670 H\n0.867670 0.246010 0.144836 H\n0.644836 0.632330 0.753990 H\n0.246010 0.144836 0.867670 H\n0.632330 0.753990 0.644836 H\n0.855164 0.367670 0.253990 H\n0.746010 0.355164 0.132330 H\n0.132330 0.746010 0.355164 H\n0.355164 0.132330 0.746010 H\n0.394203 0.551752 0.544781 H\n0.455219 0.894203 0.948248 H\n0.051752 0.955219 0.605797 H\n0.894203 0.948248 0.455219 H\n0.955219 0.605797 0.051752 H\n0.551752 0.544781 0.394203 H\n0.605797 0.051752 0.955219 H\n0.544781 0.394203 0.551752 H\n0.948248 0.455219 0.894203 H\n0.105797 0.448248 0.044781 H\n0.044781 0.105797 0.448248 H\n0.448248 0.044781 0.105797 H\n0.437433 0.706696 0.570463 H\n0.429537 0.937433 0.793304 H\n0.206696 0.929537 0.562567 H\n0.937433 0.793304 0.429537 H\n0.929537 0.562567 0.206696 H\n0.706696 0.570463 0.437433 H\n0.562567 0.206696 0.929537 H\n0.570463 0.437433 0.706696 H\n0.793304 0.429537 0.937433 H\n0.062567 0.293304 0.070463 H\n0.070463 0.062567 0.293304 H\n0.293304 0.070463 0.062567 H\n0.429451 0.598761 0.696362 H\n0.303638 0.929451 0.901239 H\n0.098761 0.803638 0.570549 H\n0.929451 0.901239 0.303638 H\n0.803638 0.570549 0.098761 H\n0.598761 0.696362 0.429451 H\n0.570549 0.098761 0.803638 H\n0.696362 0.429451 0.598761 H\n0.901239 0.303638 0.929451 H\n0.070549 0.401239 0.196362 H\n0.196362 0.070549 0.401239 H\n0.401239 0.196362 0.070549 H\n0.362031 0.362031 0.362031 C\n0.637969 0.862031 0.137969 C\n0.862031 0.137969 0.637969 C\n0.137969 0.637969 0.862031 C\n0.659096 0.659096 0.659096 C\n0.340904 0.159096 0.840904 C\n0.159096 0.840904 0.340904 C\n0.840904 0.340904 0.159096 C\n0.449904 0.612606 0.600091 C\n0.399909 0.949904 0.887394 C\n0.112606 0.899909 0.550096 C\n0.949904 0.887394 0.399909 C\n0.899909 0.550096 0.112606 C\n0.612606 0.600091 0.449904 C\n0.550096 0.112606 0.899909 C\n0.600091 0.449904 0.612606 C\n0.887394 0.399909 0.949904 C\n0.050096 0.387394 0.100091 C\n0.100091 0.050096 0.387394 C\n0.387394 0.100091 0.050096 C\n0.308768 0.318338 0.462410 N\n0.537590 0.808768 0.181662 N\n0.818338 0.037590 0.691232 N\n0.808768 0.181662 0.537590 N\n0.037590 0.691232 0.818338 N\n0.318338 0.462410 0.308768 N\n0.691232 0.818338 0.037590 N\n0.462410 0.308768 0.318338 N\n0.181662 0.537590 0.808768 N\n0.191232 0.681662 0.962410 N\n0.962410 0.191232 0.681662 N\n0.681662 0.962410 0.191232 N\n0.580349 0.580349 0.580349 N\n0.419651 0.080349 0.919651 N\n0.080349 0.919651 0.419651 N\n0.919651 0.419651 0.080349 N\n0.593573 0.093573 0.406427 O\n0.093573 0.406427 0.593573 O\n0.406427 0.593573 0.093573 O\n0.906427 0.906427 0.906427 O\n0.366064 0.082869 0.544567 O\n0.455433 0.866064 0.417131 O\n0.582869 0.955433 0.633936 O\n0.866064 0.417131 0.455433 O\n0.955433 0.633936 0.582869 O\n0.082869 0.544567 0.366064 O\n0.633936 0.582869 0.955433 O\n0.544567 0.366064 0.082869 O\n0.417131 0.455433 0.866064 O\n0.133936 0.917131 0.044567 O\n0.044567 0.133936 0.917131 O\n0.917131 0.044567 0.133936 O\n",
"nsites": 128,
"nelements": 5,
"elements": [
"Mo",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mo-N-O",
"density": 1.4574205479945763,
"density_atomic": 0.09547747863441768,
"volume": 1340.630291360235,
"volume_molar": 6.307394001321208,
"formula_full": "Mo4 H72 C20 N16 O16",
"formula_reduced": "MoH18C5(NO)4",
"formula_anonymous": "AB4C4D5E18",
"energy": -757.63187481,
"energy_per_atom": -5.918999021953125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -728.05587481,
"band_gap": 4.346500000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002016,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.309000Z",
"spacegroup": 198
},
{
"id": "mp-1199147",
"created_at": "2022-09-04T14:45:56.763199Z",
"structure_string": "K36 Fe8 O28\n1.0\n11.138993 0.000000 0.000000\n0.000000 11.138993 0.000000\n0.000000 0.000000 11.138993\nK Fe O\n36 8 28\ndirect\n0.097098 0.597098 0.902902 K\n0.597098 0.902902 0.097098 K\n0.902902 0.097098 0.597098 K\n0.402902 0.402902 0.402902 K\n0.263299 0.763299 0.736701 K\n0.763299 0.736701 0.263299 K\n0.736701 0.263299 0.763299 K\n0.236701 0.236701 0.236701 K\n0.425441 0.925441 0.574559 K\n0.925441 0.574559 0.425441 K\n0.574559 0.425441 0.925441 K\n0.074559 0.074559 0.074559 K\n0.215057 0.162243 0.509074 K\n0.490926 0.715057 0.337757 K\n0.662243 0.990926 0.784943 K\n0.715057 0.337757 0.490926 K\n0.990926 0.784943 0.662243 K\n0.162243 0.509074 0.215057 K\n0.784943 0.662243 0.990926 K\n0.509074 0.215057 0.162243 K\n0.337757 0.490926 0.715057 K\n0.284943 0.837757 0.009074 K\n0.009074 0.284943 0.837757 K\n0.837757 0.009074 0.284943 K\n0.718088 0.835501 0.530984 K\n0.469016 0.218088 0.664499 K\n0.335501 0.969016 0.281912 K\n0.218088 0.664499 0.469016 K\n0.969016 0.281912 0.335501 K\n0.835501 0.530984 0.718088 K\n0.281912 0.335501 0.969016 K\n0.530984 0.718088 0.835501 K\n0.664499 0.469016 0.218088 K\n0.781912 0.164499 0.030984 K\n0.030984 0.781912 0.164499 K\n0.164499 0.030984 0.781912 K\n0.927980 0.427980 0.072020 Fe\n0.427980 0.072020 0.927980 Fe\n0.072020 0.927980 0.427980 Fe\n0.572020 0.572020 0.572020 Fe\n0.595062 0.095062 0.404938 Fe\n0.095062 0.404938 0.595062 Fe\n0.404938 0.595062 0.095062 Fe\n0.904938 0.904938 0.904938 Fe\n0.660470 0.088375 0.566353 O\n0.433647 0.160470 0.411625 O\n0.588375 0.933647 0.339530 O\n0.160470 0.411625 0.433647 O\n0.933647 0.339530 0.588375 O\n0.088375 0.566353 0.660470 O\n0.339530 0.588375 0.933647 O\n0.566353 0.660470 0.088375 O\n0.411625 0.433647 0.160470 O\n0.839530 0.911625 0.066353 O\n0.066353 0.839530 0.911625 O\n0.911625 0.066353 0.839530 O\n0.180407 0.915127 0.560706 O\n0.439294 0.680407 0.584873 O\n0.415127 0.939294 0.819593 O\n0.680407 0.584873 0.439294 O\n0.939294 0.819593 0.415127 O\n0.915127 0.560706 0.180407 O\n0.819593 0.415127 0.939294 O\n0.560706 0.180407 0.915127 O\n0.584873 0.439294 0.680407 O\n0.319593 0.084873 0.060706 O\n0.060706 0.319593 0.084873 O\n0.084873 0.060706 0.319593 O\n0.695980 0.195980 0.304020 O\n0.195980 0.304020 0.695980 O\n0.304020 0.695980 0.195980 O\n0.804020 0.804020 0.804020 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 2.7661123930390596,
"density_atomic": 0.05209483938164466,
"volume": 1382.0946729968962,
"volume_molar": 11.559956478379833,
"formula_full": "K36 Fe8 O28",
"formula_reduced": "K9Fe2O7",
"formula_anonymous": "A2B7C9",
"energy": -354.83088776,
"energy_per_atom": -4.928206774444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.54688776,
"band_gap": 2.0603,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 36.0021773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.321000Z",
"spacegroup": 198
},
{
"id": "mp-1218926",
"created_at": "2022-09-04T14:45:56.559225Z",
"structure_string": "Sn4 Pt4 Se4\n1.0\n6.379574 0.000000 0.000000\n0.000000 6.379574 0.000000\n0.000000 0.000000 6.379574\nSn Pt Se\n4 4 4\ndirect\n0.878936 0.121064 0.621064 Sn\n0.121064 0.621064 0.878936 Sn\n0.621064 0.878936 0.121064 Sn\n0.378936 0.378936 0.378936 Sn\n0.502918 0.497082 0.997082 Pt\n0.497082 0.997082 0.502918 Pt\n0.997082 0.502918 0.497082 Pt\n0.002918 0.002918 0.002918 Pt\n0.123104 0.876896 0.376896 Se\n0.876896 0.376896 0.123104 Se\n0.376896 0.123104 0.876896 Se\n0.623104 0.623104 0.623104 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sn",
"Pt",
"Se"
],
"chemical_system": "Pt-Se-Sn",
"density": 10.047422555410247,
"density_atomic": 0.04621747423943945,
"volume": 259.6420552501733,
"volume_molar": 13.030008366102006,
"formula_full": "Sn4 Pt4 Se4",
"formula_reduced": "SnPtSe",
"formula_anonymous": "ABC",
"energy": -62.91439336,
"energy_per_atom": -5.242866113333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.02639336,
"band_gap": 0.5741000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.683000Z",
"spacegroup": 198
},
{
"id": "mp-694868",
"created_at": "2022-09-04T14:45:58.841985Z",
"structure_string": "Rb8 Zr4 Fe4 P12 O48\n1.0\n10.254531 0.000000 0.000000\n0.000000 10.254531 0.000000\n0.000000 0.000000 10.254531\nRb Zr Fe P O\n8 4 4 12 48\ndirect\n0.070595 0.070595 0.070595 Rb\n0.211034 0.711034 0.788966 Rb\n0.288966 0.288966 0.288966 Rb\n0.429405 0.929405 0.570595 Rb\n0.570595 0.429405 0.929405 Rb\n0.711034 0.788966 0.211034 Rb\n0.788966 0.211034 0.711034 Rb\n0.929405 0.570595 0.429405 Rb\n0.142732 0.357268 0.642732 Zr\n0.357268 0.642732 0.142732 Zr\n0.642732 0.142732 0.357268 Zr\n0.857268 0.857268 0.857268 Zr\n0.086817 0.913183 0.413183 Fe\n0.413183 0.086817 0.913183 Fe\n0.586817 0.586817 0.586817 Fe\n0.913183 0.413183 0.086817 Fe\n0.038463 0.724865 0.131958 P\n0.131958 0.038463 0.724865 P\n0.224865 0.368042 0.961537 P\n0.275135 0.631958 0.461537 P\n0.368042 0.961537 0.224865 P\n0.461537 0.275135 0.631958 P\n0.538463 0.775135 0.868042 P\n0.631958 0.461537 0.275135 P\n0.724865 0.131958 0.038463 P\n0.775135 0.868042 0.538463 P\n0.868042 0.538463 0.775135 P\n0.961537 0.224865 0.368042 P\n0.003284 0.082441 0.349512 O\n0.026443 0.951734 0.793467 O\n0.020847 0.803197 0.258823 O\n0.048266 0.293467 0.473557 O\n0.082796 0.182126 0.732088 O\n0.082441 0.349512 0.003284 O\n0.150488 0.996716 0.582441 O\n0.182126 0.732088 0.082796 O\n0.196803 0.758823 0.479153 O\n0.206533 0.526443 0.548266 O\n0.232088 0.417204 0.817874 O\n0.241177 0.979153 0.303197 O\n0.258823 0.020847 0.803197 O\n0.267912 0.582796 0.317874 O\n0.293467 0.473557 0.048266 O\n0.303197 0.241177 0.979153 O\n0.317874 0.267912 0.582796 O\n0.349512 0.003284 0.082441 O\n0.417559 0.650488 0.503284 O\n0.417204 0.817874 0.232088 O\n0.451734 0.706533 0.973557 O\n0.479153 0.196803 0.758823 O\n0.473557 0.048266 0.293467 O\n0.496716 0.917559 0.849512 O\n0.503284 0.417559 0.650488 O\n0.526443 0.548266 0.206533 O\n0.520847 0.696803 0.741177 O\n0.548266 0.206533 0.526443 O\n0.582796 0.317874 0.267912 O\n0.582441 0.150488 0.996716 O\n0.650488 0.503284 0.417559 O\n0.682126 0.767912 0.917204 O\n0.696803 0.741177 0.520847 O\n0.706533 0.973557 0.451734 O\n0.732088 0.082796 0.182126 O\n0.741177 0.520847 0.696803 O\n0.758823 0.479153 0.196803 O\n0.767912 0.917204 0.682126 O\n0.793467 0.026443 0.951734 O\n0.803197 0.258823 0.020847 O\n0.817874 0.232088 0.417204 O\n0.849512 0.496716 0.917559 O\n0.917559 0.849512 0.496716 O\n0.917204 0.682126 0.767912 O\n0.951734 0.793467 0.026443 O\n0.979153 0.303197 0.241177 O\n0.973557 0.451734 0.706533 O\n0.996716 0.582441 0.150488 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"Rb",
"Zr",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Rb-Zr",
"density": 3.7138163666759145,
"density_atomic": 0.07048004705036091,
"volume": 1078.319370951822,
"volume_molar": 8.544461889613853,
"formula_full": "Rb8 Zr4 Fe4 P12 O48",
"formula_reduced": "Rb2ZrFe(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -578.1713103,
"energy_per_atom": -7.607517240789473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -536.1713103,
"band_gap": 2.1037,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9681676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.219000Z",
"spacegroup": 198
},
{
"id": "mp-1103098",
"created_at": "2022-09-04T14:46:02.015955Z",
"structure_string": "Bi4 Rh4 S4\n1.0\n6.222124 0.000000 0.000000\n0.000000 6.222124 0.000000\n0.000000 0.000000 6.222124\nBi Rh S\n4 4 4\ndirect\n0.127361 0.627361 0.872639 Bi\n0.627361 0.872639 0.127361 Bi\n0.872639 0.127361 0.627361 Bi\n0.372639 0.372639 0.372639 Bi\n0.477993 0.977993 0.522007 Rh\n0.977993 0.522007 0.477993 Rh\n0.522007 0.477993 0.977993 Rh\n0.022007 0.022007 0.022007 Rh\n0.881106 0.381106 0.118894 S\n0.381106 0.118894 0.881106 S\n0.118894 0.881106 0.381106 S\n0.618894 0.618894 0.618894 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Rh",
"S"
],
"chemical_system": "Bi-Rh-S",
"density": 9.483956501092914,
"density_atomic": 0.04981558794964855,
"volume": 240.8884546766583,
"volume_molar": 12.08886817934764,
"formula_full": "Bi4 Rh4 S4",
"formula_reduced": "BiRhS",
"formula_anonymous": "ABC",
"energy": -68.30228916,
"energy_per_atom": -5.69185743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.29028916,
"band_gap": 0.5079000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.772000Z",
"spacegroup": 198
},
{
"id": "mp-8675",
"created_at": "2022-09-04T14:46:05.421205Z",
"structure_string": "Hg4 Pd4\n1.0\n5.323322 0.000000 0.000000\n0.000000 5.323322 0.000000\n0.000000 0.000000 5.323322\nHg Pd\n4 4\ndirect\n0.843565 0.656435 0.343565 Hg\n0.656435 0.343565 0.843565 Hg\n0.343565 0.843565 0.656435 Hg\n0.156435 0.156435 0.156435 Hg\n0.152547 0.347453 0.652547 Pd\n0.347453 0.652547 0.152547 Pd\n0.652547 0.152547 0.347453 Pd\n0.847453 0.847453 0.847453 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd",
"density": 13.518029816173401,
"density_atomic": 0.05303246042735144,
"volume": 150.8510058845772,
"volume_molar": 11.355574890306404,
"formula_full": "Hg4 Pd4",
"formula_reduced": "HgPd",
"formula_anonymous": "AB",
"energy": -22.71203974,
"energy_per_atom": -2.8390049675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.71203974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018952,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.672000Z",
"spacegroup": 198
},
{
"id": "mp-571478",
"created_at": "2022-09-04T14:46:05.425386Z",
"structure_string": "Sn4 Hg28 As16 I24\n1.0\n13.504710 0.000000 0.000000\n0.000000 13.504710 0.000000\n0.000000 0.000000 13.504710\nSn Hg As I\n4 28 16 24\ndirect\n0.764977 0.764977 0.764977 Sn\n0.235023 0.264977 0.735023 Sn\n0.264977 0.735023 0.235023 Sn\n0.735023 0.235023 0.264977 Sn\n0.318307 0.097976 0.076474 Hg\n0.068806 0.499781 0.751055 Hg\n0.431194 0.500219 0.251055 Hg\n0.931194 0.999781 0.748945 Hg\n0.535098 0.464902 0.964902 Hg\n0.681693 0.597976 0.423526 Hg\n0.576474 0.181693 0.902024 Hg\n0.035098 0.035098 0.035098 Hg\n0.181693 0.902024 0.576474 Hg\n0.248945 0.568806 0.000219 Hg\n0.902024 0.576474 0.181693 Hg\n0.251055 0.431194 0.500219 Hg\n0.748945 0.931194 0.999781 Hg\n0.499781 0.751055 0.068806 Hg\n0.597976 0.423526 0.681693 Hg\n0.097976 0.076474 0.318307 Hg\n0.818307 0.402024 0.923526 Hg\n0.923526 0.818307 0.402024 Hg\n0.500219 0.251055 0.431194 Hg\n0.402024 0.923526 0.818307 Hg\n0.464902 0.964902 0.535098 Hg\n0.423526 0.681693 0.597976 Hg\n0.076474 0.318307 0.097976 Hg\n0.999781 0.748945 0.931194 Hg\n0.568806 0.000219 0.248945 Hg\n0.964902 0.535098 0.464902 Hg\n0.751055 0.068806 0.499781 Hg\n0.000219 0.248945 0.568806 Hg\n0.963819 0.463819 0.036181 As\n0.536181 0.536181 0.536181 As\n0.073767 0.426233 0.573767 As\n0.069162 0.569162 0.930838 As\n0.856357 0.643643 0.356357 As\n0.643643 0.356357 0.856357 As\n0.036181 0.963819 0.463819 As\n0.430838 0.430838 0.430838 As\n0.143643 0.143643 0.143643 As\n0.573767 0.073767 0.426233 As\n0.569162 0.930838 0.069162 As\n0.930838 0.069162 0.569162 As\n0.426233 0.573767 0.073767 As\n0.356357 0.856357 0.643643 As\n0.926233 0.926233 0.926233 As\n0.463819 0.036181 0.963819 As\n0.526307 0.736275 0.314252 I\n0.786849 0.187532 0.055428 I\n0.713151 0.812468 0.555428 I\n0.814252 0.973693 0.263725 I\n0.687532 0.444572 0.213151 I\n0.185748 0.473693 0.236275 I\n0.555428 0.713151 0.812468 I\n0.444572 0.213151 0.687532 I\n0.763725 0.685748 0.026307 I\n0.236275 0.185748 0.473693 I\n0.473693 0.236275 0.185748 I\n0.286849 0.312468 0.944572 I\n0.312468 0.944572 0.286849 I\n0.685748 0.026307 0.763725 I\n0.055428 0.786849 0.187532 I\n0.944572 0.286849 0.312468 I\n0.026307 0.763725 0.685748 I\n0.736275 0.314252 0.526307 I\n0.187532 0.055428 0.786849 I\n0.263725 0.814252 0.973693 I\n0.213151 0.687532 0.444572 I\n0.812468 0.555428 0.713151 I\n0.314252 0.526307 0.736275 I\n0.973693 0.263725 0.814252 I\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sn",
"Hg",
"As",
"I"
],
"chemical_system": "As-Hg-I-Sn",
"density": 6.968478235155344,
"density_atomic": 0.029233223615900993,
"volume": 2462.951091060537,
"volume_molar": 20.600330771336292,
"formula_full": "Sn4 Hg28 As16 I24",
"formula_reduced": "SnHg7(As2I3)2",
"formula_anonymous": "AB4C6D7",
"energy": -159.5369543,
"energy_per_atom": -2.2157910319444443,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.4409543,
"band_gap": 0.9482,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.470000Z",
"spacegroup": 198
},
{
"id": "mp-15599",
"created_at": "2022-09-04T14:46:05.512747Z",
"structure_string": "K8 Ca8 S12 O48\n1.0\n10.641350 0.000000 0.000000\n0.000000 10.641350 0.000000\n0.000000 0.000000 10.641350\nK Ca S O\n8 8 12 48\ndirect\n0.685527 0.185527 0.314473 K\n0.314473 0.685527 0.185527 K\n0.944507 0.555493 0.444507 K\n0.185527 0.314473 0.685527 K\n0.055493 0.055493 0.055493 K\n0.444507 0.944507 0.555493 K\n0.555493 0.444507 0.944507 K\n0.814473 0.814473 0.814473 K\n0.329305 0.329305 0.329305 Ca\n0.170695 0.670695 0.829305 Ca\n0.829305 0.170695 0.670695 Ca\n0.670695 0.829305 0.170695 Ca\n0.589051 0.589051 0.589051 Ca\n0.089051 0.910949 0.410949 Ca\n0.410949 0.089051 0.910949 Ca\n0.910949 0.410949 0.089051 Ca\n0.271392 0.625532 0.508761 S\n0.771392 0.874468 0.491239 S\n0.728608 0.125532 0.991239 S\n0.874468 0.491239 0.771392 S\n0.991239 0.728608 0.125532 S\n0.491239 0.771392 0.874468 S\n0.625532 0.508761 0.271392 S\n0.508761 0.271392 0.625532 S\n0.125532 0.991239 0.728608 S\n0.228608 0.374468 0.008761 S\n0.008761 0.228608 0.374468 S\n0.374468 0.008761 0.228608 S\n0.232121 0.578519 0.634796 O\n0.732121 0.921481 0.365204 O\n0.767879 0.078519 0.865204 O\n0.921481 0.365204 0.732121 O\n0.865204 0.767879 0.078519 O\n0.365204 0.732121 0.921481 O\n0.578519 0.634796 0.232121 O\n0.634796 0.232121 0.578519 O\n0.078519 0.865204 0.767879 O\n0.421481 0.134796 0.267879 O\n0.134796 0.267879 0.421481 O\n0.267879 0.421481 0.134796 O\n0.273976 0.519949 0.417545 O\n0.773976 0.980051 0.582455 O\n0.726024 0.019949 0.082455 O\n0.980051 0.582455 0.773976 O\n0.082455 0.726024 0.019949 O\n0.582455 0.773976 0.980051 O\n0.983102 0.601272 0.183850 O\n0.519949 0.417545 0.273976 O\n0.019949 0.082455 0.726024 O\n0.480051 0.917545 0.226024 O\n0.917545 0.226024 0.480051 O\n0.226024 0.480051 0.917545 O\n0.398728 0.683850 0.516898 O\n0.898728 0.816150 0.483102 O\n0.601272 0.183850 0.983102 O\n0.816150 0.483102 0.898728 O\n0.321262 0.280690 0.962521 O\n0.962521 0.321262 0.280690 O\n0.280690 0.962521 0.321262 O\n0.219310 0.037479 0.821262 O\n0.462521 0.178738 0.719310 O\n0.719310 0.462521 0.178738 O\n0.537479 0.678738 0.780690 O\n0.037479 0.821262 0.219310 O\n0.780690 0.537479 0.678738 O\n0.821262 0.219310 0.037479 O\n0.678738 0.780690 0.537479 O\n0.178738 0.719310 0.462521 O\n0.101272 0.316150 0.016898 O\n0.016898 0.101272 0.316150 O\n0.316150 0.016898 0.101272 O\n0.183850 0.983102 0.601272 O\n0.516898 0.398728 0.683850 O\n0.683850 0.516898 0.398728 O\n0.483102 0.898728 0.816150 O\n0.417545 0.273976 0.519949 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"K",
"Ca",
"S",
"O"
],
"chemical_system": "Ca-K-O-S",
"density": 2.461385642659604,
"density_atomic": 0.06307008400300874,
"volume": 1205.0087010566601,
"volume_molar": 9.548331598405221,
"formula_full": "K8 Ca8 S12 O48",
"formula_reduced": "K2Ca2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -504.26779162,
"energy_per_atom": -6.6351025213157895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -471.29179162,
"band_gap": 5.3165,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062526,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.416000Z",
"spacegroup": 198
},
{
"id": "mp-1212598",
"created_at": "2022-09-04T14:46:07.347723Z",
"structure_string": "K8 B8 S12 O48\n1.0\n10.667091 0.000000 0.000000\n0.000000 10.667091 0.000000\n0.000000 0.000000 10.667091\nK B S O\n8 8 12 48\ndirect\n0.817743 0.817743 0.817743 K\n0.682257 0.182257 0.317743 K\n0.182257 0.317743 0.682257 K\n0.317743 0.682257 0.182257 K\n0.049027 0.049027 0.049027 K\n0.450973 0.950973 0.549027 K\n0.950973 0.549027 0.450973 K\n0.549027 0.450973 0.950973 K\n0.517352 0.517352 0.517352 B\n0.982648 0.482648 0.017352 B\n0.482648 0.017352 0.982648 B\n0.017352 0.982648 0.482648 B\n0.277330 0.277330 0.277330 B\n0.222670 0.722670 0.777330 B\n0.722670 0.777330 0.222670 B\n0.777330 0.222670 0.722670 B\n0.044936 0.208939 0.371537 S\n0.455064 0.791061 0.871537 S\n0.955064 0.708939 0.128463 S\n0.371537 0.044936 0.208939 S\n0.544936 0.291061 0.628463 S\n0.871537 0.455064 0.791061 S\n0.128463 0.955064 0.708939 S\n0.628463 0.544936 0.291061 S\n0.208939 0.371537 0.044936 S\n0.708939 0.128463 0.955064 S\n0.291061 0.628463 0.544936 S\n0.791061 0.871537 0.455064 S\n0.224561 0.521481 0.490176 O\n0.275439 0.478519 0.990176 O\n0.775439 0.021481 0.009824 O\n0.490176 0.224561 0.521481 O\n0.724561 0.978519 0.509824 O\n0.990176 0.275439 0.478519 O\n0.009824 0.775439 0.021481 O\n0.509824 0.724561 0.978519 O\n0.521481 0.490176 0.224561 O\n0.021481 0.009824 0.775439 O\n0.978519 0.509824 0.724561 O\n0.478519 0.990176 0.275439 O\n0.982207 0.053215 0.379689 O\n0.517793 0.946785 0.879689 O\n0.017793 0.553215 0.120311 O\n0.379689 0.982207 0.053215 O\n0.482207 0.446785 0.620311 O\n0.879689 0.517793 0.946785 O\n0.120311 0.017793 0.553215 O\n0.620311 0.482207 0.446785 O\n0.053215 0.379689 0.982207 O\n0.553215 0.120311 0.017793 O\n0.446785 0.620311 0.482207 O\n0.946785 0.879689 0.517793 O\n0.204076 0.249241 0.381870 O\n0.295924 0.750759 0.881870 O\n0.795924 0.749241 0.118130 O\n0.381870 0.204076 0.249241 O\n0.704076 0.250759 0.618130 O\n0.881870 0.295924 0.750759 O\n0.118130 0.795924 0.749241 O\n0.618130 0.704076 0.250759 O\n0.249241 0.381870 0.204076 O\n0.749241 0.118130 0.795924 O\n0.250759 0.618130 0.704076 O\n0.750759 0.881870 0.295924 O\n0.001009 0.743399 0.252597 O\n0.498991 0.256601 0.752597 O\n0.998991 0.243399 0.247403 O\n0.252597 0.001009 0.743399 O\n0.501009 0.756601 0.747403 O\n0.752597 0.498991 0.256601 O\n0.247403 0.998991 0.243399 O\n0.747403 0.501009 0.756601 O\n0.743399 0.252597 0.001009 O\n0.243399 0.247403 0.998991 O\n0.756601 0.747403 0.501009 O\n0.256601 0.752597 0.498991 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"K",
"B",
"S",
"O"
],
"chemical_system": "B-K-O-S",
"density": 2.1232932437627863,
"density_atomic": 0.06261459735437128,
"volume": 1213.7744745026978,
"volume_molar": 9.617790442566156,
"formula_full": "K8 B8 S12 O48",
"formula_reduced": "K2B2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -492.29483435,
"energy_per_atom": -6.477563609868421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -459.31883435,
"band_gap": 0.5191000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.1063721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.111000Z",
"spacegroup": 198
},
{
"id": "mp-1209620",
"created_at": "2022-09-04T14:46:07.611087Z",
"structure_string": "Rb8 Mg8 S12 O48\n1.0\n10.149918 0.000000 0.000000\n0.000000 10.149918 0.000000\n0.000000 0.000000 10.149918\nRb Mg S O\n8 8 12 48\ndirect\n0.047871 0.047871 0.047871 Rb\n0.452129 0.952129 0.547871 Rb\n0.952129 0.547871 0.452129 Rb\n0.547871 0.452129 0.952129 Rb\n0.816700 0.816700 0.816700 Rb\n0.683300 0.183300 0.316700 Rb\n0.183300 0.316700 0.683300 Rb\n0.316700 0.683300 0.183300 Rb\n0.335043 0.335043 0.335043 Mg\n0.164957 0.664957 0.835043 Mg\n0.664957 0.835043 0.164957 Mg\n0.835043 0.164957 0.664957 Mg\n0.598657 0.598657 0.598657 Mg\n0.901343 0.401343 0.098657 Mg\n0.401343 0.098657 0.901343 Mg\n0.098657 0.901343 0.401343 Mg\n0.018451 0.215903 0.375819 S\n0.481549 0.784097 0.875819 S\n0.981549 0.715903 0.124181 S\n0.375819 0.018451 0.215903 S\n0.518451 0.284097 0.624181 S\n0.875819 0.481549 0.784097 S\n0.124181 0.981549 0.715903 S\n0.624181 0.518451 0.284097 S\n0.215903 0.375819 0.018451 S\n0.715903 0.124181 0.981549 S\n0.284097 0.624181 0.518451 S\n0.784097 0.875819 0.481549 S\n0.010400 0.076342 0.331338 O\n0.489600 0.923658 0.831338 O\n0.989600 0.576342 0.168662 O\n0.331338 0.010400 0.076342 O\n0.510400 0.423658 0.668662 O\n0.831338 0.489600 0.923658 O\n0.168662 0.989600 0.576342 O\n0.668662 0.510400 0.423658 O\n0.076342 0.331338 0.010400 O\n0.576342 0.168662 0.989600 O\n0.423658 0.668662 0.510400 O\n0.923658 0.831338 0.489600 O\n0.266236 0.500408 0.441463 O\n0.233764 0.499592 0.941463 O\n0.733764 0.000408 0.058537 O\n0.441463 0.266236 0.500408 O\n0.766236 0.999592 0.558537 O\n0.941463 0.233764 0.499592 O\n0.058537 0.733764 0.000408 O\n0.558537 0.766236 0.999592 O\n0.500408 0.441463 0.266236 O\n0.000408 0.058537 0.733764 O\n0.999592 0.558537 0.766236 O\n0.499592 0.941463 0.233764 O\n0.041242 0.802585 0.226020 O\n0.458758 0.197415 0.726020 O\n0.958758 0.302585 0.273980 O\n0.226020 0.041242 0.802585 O\n0.541242 0.697415 0.773980 O\n0.726020 0.458758 0.197415 O\n0.273980 0.958758 0.302585 O\n0.773980 0.541242 0.697415 O\n0.802585 0.226020 0.041242 O\n0.302585 0.273980 0.958758 O\n0.697415 0.773980 0.541242 O\n0.197415 0.726020 0.458758 O\n0.157229 0.253847 0.400560 O\n0.342771 0.746153 0.900560 O\n0.842771 0.753847 0.099440 O\n0.400560 0.157229 0.253847 O\n0.657229 0.246153 0.599440 O\n0.900560 0.342771 0.746153 O\n0.099440 0.842771 0.753847 O\n0.599440 0.657229 0.246153 O\n0.253847 0.400560 0.157229 O\n0.753847 0.099440 0.842771 O\n0.246153 0.599440 0.657229 O\n0.746153 0.900560 0.342771 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-Rb-S",
"density": 3.2252042334590736,
"density_atomic": 0.07268185306041702,
"volume": 1045.6530316697451,
"volume_molar": 8.285618082678873,
"formula_full": "Rb8 Mg8 S12 O48",
"formula_reduced": "Rb2Mg2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -488.27764915,
"energy_per_atom": -6.424705909868421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -455.30164915,
"band_gap": 5.6159,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.638000Z",
"spacegroup": 198
}
]
}