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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=107",
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"results": [
{
"id": "mp-1073232",
"created_at": "2022-09-04T14:40:11.822256Z",
"structure_string": "Mg8 Si12\n1.0\n3.859583 0.000000 0.000000\n1.887279 5.936855 0.000000\n1.035808 2.036101 17.302538\nMg Si\n8 12\ndirect\n0.205857 0.009231 0.246736 Mg\n0.091809 0.906475 0.749268 Mg\n0.291576 0.947631 0.070217 Mg\n0.878805 0.231342 0.911121 Mg\n0.803946 0.447449 0.735339 Mg\n0.479638 0.458246 0.251717 Mg\n0.917556 0.373939 0.568255 Mg\n0.394494 0.515769 0.422054 Mg\n0.596576 0.321148 0.058382 Si\n0.402962 0.644856 0.962419 Si\n0.043279 0.379356 0.137920 Si\n0.829517 0.817297 0.904581 Si\n0.482482 0.172306 0.671128 Si\n0.831113 0.716215 0.318959 Si\n0.228725 0.779960 0.538832 Si\n0.091474 0.114590 0.447007 Si\n0.692594 0.808608 0.621442 Si\n0.628364 0.088700 0.364512 Si\n0.853862 0.757122 0.175997 Si\n0.255225 0.509741 0.844053 Si\n",
"nsites": 20,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-Si",
"density": 2.2259630201566534,
"density_atomic": 0.05044560757817279,
"volume": 396.4666293097392,
"volume_molar": 11.937889241729955,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
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"energy": -75.18840648,
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"energy_uncorrected": -76.04040648,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.552000Z",
"spacegroup": 1
},
{
"id": "mp-1235299",
"created_at": "2022-09-04T14:40:05.493545Z",
"structure_string": "Li1 Ti1 Fe5 O8\n1.0\n-4.371981 0.004742 -4.453987\n4.367533 -4.368010 -0.011390\n-4.359661 -4.358532 -0.007416\nLi Ti Fe O\n1 1 5 8\ndirect\n0.214199 0.128199 0.650997 Li\n0.557540 0.004073 0.468454 Ti\n0.280788 0.124342 0.111318 Fe\n0.715244 0.857372 0.889158 Fe\n0.580173 0.562082 0.458150 Fe\n0.013468 0.505082 0.980556 Fe\n0.012105 0.504062 0.506074 Fe\n0.034622 0.742464 0.232589 O\n0.990380 0.224432 0.254413 O\n0.512124 0.245287 0.723672 O\n0.510727 0.244789 0.269265 O\n0.013052 0.277184 0.743333 O\n0.054097 0.779266 0.722598 O\n0.506405 0.771228 0.273449 O\n0.505076 0.769720 0.715974 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.521558664163836,
"density_atomic": 0.08840195059393163,
"volume": 169.67951384807654,
"volume_molar": 6.8122261098765735,
"formula_full": "Li1 Ti1 Fe5 O8",
"formula_reduced": "LiTiFe5O8",
"formula_anonymous": "ABC5D8",
"energy": -119.60765853,
"energy_per_atom": -7.973843902,
"energy_above_hull": null,
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"energy_uncorrected": -102.83165853,
"band_gap": 1.0223999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.9906569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.869000Z",
"spacegroup": 1
},
{
"id": "mp-1257731",
"created_at": "2022-09-04T14:40:05.545840Z",
"structure_string": "Na4 Al4 Si6 H8 O24\n1.0\n8.760694 -0.779062 2.720861\n2.379643 7.823739 0.068653\n-0.216248 -0.902435 8.381575\nNa Al Si H O\n4 4 6 8 24\ndirect\n0.296463 0.988753 0.252574 Na\n0.585895 0.413625 0.784260 Na\n0.667363 0.771376 0.047493 Na\n0.784323 0.013172 0.678903 Na\n0.414705 0.943439 0.862748 Al\n0.425399 0.145326 0.558328 Al\n0.565651 0.153334 0.135019 Al\n0.242587 0.382694 0.423772 Al\n0.227485 0.672525 0.052860 Si\n0.849476 0.587423 0.510232 Si\n0.224851 0.348141 0.829430 Si\n0.981942 0.290036 0.278157 Si\n0.350615 0.579390 0.249628 Si\n0.896002 0.078791 0.998725 Si\n0.059205 0.373518 0.922297 H\n0.907195 0.793690 0.355185 H\n0.048740 0.666419 0.586361 H\n0.679557 0.193235 0.495817 H\n0.466898 0.437231 0.115921 H\n0.131480 0.922791 0.793139 H\n0.436918 0.788297 0.393352 H\n0.990621 0.620060 0.165751 H\n0.151617 0.267022 0.304160 O\n0.014279 0.940863 0.837413 O\n0.025245 0.557456 0.559491 O\n0.379789 0.941134 0.535878 O\n0.989225 0.169418 0.110437 O\n0.333210 0.867121 0.692944 O\n0.290850 0.506820 0.895014 O\n0.481775 0.031035 0.025646 O\n0.596609 0.179305 0.592115 O\n0.810044 0.214245 0.896647 O\n0.340107 0.163667 0.813404 O\n0.283519 0.837998 0.997179 O\n0.459829 0.717460 0.277306 O\n0.254602 0.338005 0.624793 O\n0.033167 0.713717 0.119292 O\n0.627618 0.815202 0.781278 O\n0.644351 0.317099 0.023225 O\n0.899597 0.494181 0.301898 O\n0.752876 0.017873 0.120526 O\n0.862570 0.232179 0.439844 O\n0.436073 0.200714 0.347620 O\n0.675516 0.643527 0.670025 O\n0.826908 0.382722 0.574289 O\n0.847253 0.787965 0.469628 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Na-O-Si",
"density": 2.142662843988823,
"density_atomic": 0.07805368674293424,
"volume": 589.3379533948039,
"volume_molar": 7.715382849030063,
"formula_full": "Na4 Al4 Si6 H8 O24",
"formula_reduced": "Na2Al2Si3(HO3)4",
"formula_anonymous": "A2B2C3D4E12",
"energy": -295.2545796,
"energy_per_atom": -6.418577817391304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -278.7665796,
"band_gap": 2.5378,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.894000Z",
"spacegroup": 1
},
{
"id": "mp-775382",
"created_at": "2022-09-04T14:40:05.549425Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n-9.770519 0.000000 0.000000\n4.871883 8.505174 0.000000\n-0.026444 -0.052869 -13.966750\nLi V P O\n10 6 16 58\ndirect\n0.763570 0.096773 0.439488 Li\n0.898990 0.662898 0.437763 Li\n0.769201 0.678412 0.940614 Li\n0.320464 0.093254 0.940467 Li\n0.336402 0.230852 0.437957 Li\n0.685227 0.912523 0.060883 Li\n0.225823 0.322384 0.060610 Li\n0.099883 0.335854 0.558492 Li\n0.095810 0.772789 0.061980 Li\n0.985875 0.966742 0.498829 Li\n0.563728 0.570800 0.743620 V\n0.434077 0.433623 0.251164 V\n0.567453 0.000735 0.251227 V\n0.432813 0.998832 0.747191 V\n0.997006 0.430477 0.755055 V\n0.999946 0.566853 0.249195 V\n0.914671 0.229903 0.159117 P\n0.776421 0.088481 0.657704 P\n0.912914 0.684046 0.657511 P\n0.662670 0.338109 0.870547 P\n0.667382 0.333757 0.373868 P\n0.766634 0.680058 0.156632 P\n0.690275 0.774989 0.341969 P\n0.319486 0.087215 0.157035 P\n0.683021 0.912743 0.841489 P\n0.314670 0.226614 0.658687 P\n0.231597 0.319939 0.841837 P\n0.324884 0.661692 0.628173 P\n0.334609 0.667498 0.128454 P\n0.086885 0.316034 0.343803 P\n0.223968 0.914991 0.341618 P\n0.087783 0.770400 0.841417 P\n0.004951 0.229849 0.434369 O\n0.922827 0.258881 0.666101 O\n0.756661 0.989271 0.933505 O\n0.746634 0.084537 0.159119 O\n0.905615 0.381933 0.178113 O\n0.813637 0.339364 0.822493 O\n0.915238 0.529857 0.672042 O\n0.995891 0.752926 0.931158 O\n0.916397 0.664592 0.157301 O\n0.680664 0.190305 0.333282 O\n0.624061 0.093928 0.671101 O\n0.809997 0.489084 0.332995 O\n0.675951 0.347473 0.976522 O\n0.666630 0.333858 0.481085 O\n0.666478 0.488374 0.828162 O\n0.479860 0.098258 0.177375 O\n0.513499 0.187761 0.832729 O\n0.741401 0.653984 0.666813 O\n0.787844 0.796132 0.243370 O\n0.796394 0.789459 0.423227 O\n0.751087 0.752178 0.065603 O\n0.619029 0.519505 0.177607 O\n0.510456 0.319892 0.332776 O\n0.658851 0.742672 0.835562 O\n0.472174 0.382008 0.672994 O\n0.342907 0.086175 0.663624 O\n0.794575 0.999541 0.750253 O\n0.792547 0.016860 0.566767 O\n0.207466 0.004331 0.423891 O\n0.662039 0.917916 0.340796 O\n0.534883 0.619940 0.332403 O\n0.336546 0.252599 0.158176 O\n0.478196 0.664662 0.674447 O\n0.382950 0.476963 0.822514 O\n0.243021 0.243138 0.931753 O\n0.229912 0.228207 0.569351 O\n0.206449 0.206609 0.751129 O\n0.255431 0.336869 0.339678 O\n0.488202 0.813706 0.169772 O\n0.524611 0.907799 0.821137 O\n0.326730 0.513785 0.170031 O\n0.335225 0.666703 0.021572 O\n0.328166 0.645294 0.522742 O\n0.180436 0.507239 0.670779 O\n0.380173 0.915453 0.332040 O\n0.323470 0.805752 0.671069 O\n0.087355 0.344439 0.838291 O\n0.993489 0.203883 0.254997 O\n0.009000 0.239766 0.074089 O\n0.092565 0.472919 0.330041 O\n0.187104 0.675969 0.167877 O\n0.098489 0.620041 0.822037 O\n0.252668 0.917702 0.842195 O\n0.246335 0.000251 0.065255 O\n0.203118 0.992142 0.243304 O\n0.082005 0.743873 0.338804 O\n0.984325 0.768509 0.566052 O\n0.001308 0.793746 0.749434 O\n",
"nsites": 90,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5732889259839418,
"density_atomic": 0.0775436632004058,
"volume": 1160.6364245057875,
"volume_molar": 7.76612879950774,
"formula_full": "Li10 V6 P16 O58",
"formula_reduced": "Li5V3P8O29",
"formula_anonymous": "A3B5C8D29",
"energy": -682.83791207,
"energy_per_atom": -7.587087911888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -632.79191207,
"band_gap": 0.5988,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.320000Z",
"spacegroup": 1
},
{
"id": "mp-1234437",
"created_at": "2022-09-04T14:40:05.619877Z",
"structure_string": "Ca1 La2 Co2 Sb2 Pb2 O12\n1.0\n6.074095 0.100225 0.051288\n0.101841 6.206686 0.108360\n0.075720 0.157960 8.126631\nCa La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.956003 0.711058 0.571427 Ca\n0.485925 0.467470 0.803850 La\n0.986314 0.997452 0.207676 La\n0.025852 0.325724 0.418772 Co\n0.530143 0.991558 0.002392 Co\n0.984821 0.516070 0.014626 Sb\n0.501634 0.013573 0.499739 Sb\n0.483436 0.584816 0.277138 Pb\n0.059429 0.095730 0.794874 Pb\n0.601244 0.963683 0.260193 O\n0.080016 0.482097 0.770969 O\n0.457427 0.081231 0.746296 O\n0.923158 0.550905 0.262618 O\n0.228075 0.863960 0.427411 O\n0.730950 0.708109 0.944856 O\n0.826476 0.094209 0.512741 O\n0.218650 0.272511 0.042318 O\n0.338109 0.300520 0.473359 O\n0.777840 0.265045 0.986585 O\n0.591229 0.698589 0.567095 O\n0.201361 0.755272 0.023396 O\n",
"nsites": 21,
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"elements": [
"Ca",
"La",
"Co",
"Sb",
"Pb",
"O"
],
"chemical_system": "Ca-Co-La-O-Pb-Sb",
"density": 6.9730531275836345,
"density_atomic": 0.06859055120168157,
"volume": 306.1646193548181,
"volume_molar": 8.77984015945969,
"formula_full": "Ca1 La2 Co2 Sb2 Pb2 O12",
"formula_reduced": "CaLa2Co2Sb2(PbO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -145.16543298000002,
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"updated_at": "2021-11-28T01:34:48.061000Z",
"spacegroup": 1
},
{
"id": "mp-1040819",
"created_at": "2022-09-04T14:40:05.713837Z",
"structure_string": "La2 Cr2 W2 O12\n1.0\n-2.760657 2.713327 3.910017\n2.768079 2.720022 3.919241\n0.006432 5.633089 -7.692864\nLa Cr W O\n2 2 2 12\ndirect\n0.872280 0.890124 0.128837 La\n0.372211 0.390111 0.628817 La\n0.753849 0.756427 0.755072 Cr\n0.254042 0.256388 0.255250 Cr\n0.505557 0.506984 0.004861 W\n0.005396 0.006893 0.504611 W\n0.307332 0.452522 0.126201 O\n0.807103 0.952440 0.625904 O\n0.855151 0.365258 0.146636 O\n0.355238 0.864975 0.646409 O\n0.659125 0.126956 0.357997 O\n0.159248 0.626967 0.858135 O\n0.127039 0.615497 0.403197 O\n0.627233 0.115432 0.903265 O\n0.394509 0.890488 0.112813 O\n0.894510 0.390442 0.612685 O\n0.185882 0.076920 0.385292 O\n0.686060 0.577055 0.885428 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Cr",
"W",
"O"
],
"chemical_system": "Cr-La-O-W",
"density": 6.583629106233408,
"density_atomic": 0.07580180345928911,
"volume": 237.4613687082955,
"volume_molar": 7.944587707908971,
"formula_full": "La2 Cr2 W2 O12",
"formula_reduced": "LaCrWO6",
"formula_anonymous": "ABCD6",
"energy": -163.45434927,
"energy_per_atom": -9.080797181666666,
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"energy_uncorrected": -142.33634927,
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"is_magnetic": true,
"total_magnetization": 8.7e-06,
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"updated_at": "2021-11-28T01:34:49.513000Z",
"spacegroup": 1
},
{
"id": "mp-1247619",
"created_at": "2022-09-04T14:40:05.675607Z",
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{
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{
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"id": "mp-1234789",
"created_at": "2022-09-04T14:40:05.861178Z",
"structure_string": "Rb2 Mg1 Cu4 H5 S4 O20\n1.0\n9.649527 -0.756485 6.590532\n3.957055 4.723873 0.493206\n-1.136734 0.021016 8.290624\nRb Mg Cu H S O\n2 1 4 5 4 20\ndirect\n0.018685 0.466299 0.536174 Rb\n0.473196 0.525116 0.501320 Rb\n0.944091 0.553049 0.193768 Mg\n0.280158 0.969334 0.988211 Cu\n0.281684 0.462351 0.988475 Cu\n0.737414 0.010299 0.992709 Cu\n0.735621 0.518138 0.997593 Cu\n0.188900 0.308520 0.833609 H\n0.312561 0.686784 0.186710 H\n0.540912 0.458862 0.959113 H\n0.715659 0.284923 0.761663 H\n0.696553 0.811331 0.233790 H\n0.414876 0.087921 0.271724 S\n0.064446 0.935989 0.749158 S\n0.908187 0.089128 0.317552 S\n0.605437 0.892306 0.686577 S\n0.014982 0.182424 0.239097 O\n0.013369 0.783473 0.243994 O\n0.313406 0.187021 0.189950 O\n0.322978 0.184779 0.477190 O\n0.172714 0.324341 0.959357 O\n0.357601 0.641023 0.050579 O\n0.157615 0.853147 0.543240 O\n0.518330 0.184486 0.203155 O\n0.164822 0.826285 0.830342 O\n0.504362 0.190782 0.737225 O\n0.515785 0.785660 0.207797 O\n0.801354 0.193237 0.246411 O\n0.502668 0.797903 0.738820 O\n0.827287 0.175324 0.522601 O\n0.662410 0.338208 0.902242 O\n0.791668 0.712564 0.107030 O\n0.721369 0.774389 0.478408 O\n0.691374 0.807325 0.787563 O\n0.960775 0.239108 0.825285 O\n0.959609 0.841506 0.808444 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Rb",
"Mg",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Mg-O-Rb-S",
"density": 3.4146143130761906,
"density_atomic": 0.08200601337726575,
"volume": 438.992197247576,
"volume_molar": 7.343535567684964,
"formula_full": "Rb2 Mg1 Cu4 H5 S4 O20",
"formula_reduced": "Rb2MgCu4H5(SO5)4",
"formula_anonymous": "AB2C4D4E5F20",
"energy": -212.28057408,
"energy_per_atom": -5.896682613333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.54057408,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3092457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.508000Z",
"spacegroup": 1
},
{
"id": "mp-778007",
"created_at": "2022-09-04T14:40:05.910795Z",
"structure_string": "Li8 Mn6 Fe2 B8 O24\n1.0\n5.238543 0.000000 0.000000\n-2.609147 4.556914 0.000000\n-0.277737 -0.627512 20.919637\nLi Mn Fe B O\n8 6 2 8 24\ndirect\n0.349014 0.321194 0.666283 Li\n0.321310 0.347404 0.916374 Li\n0.348027 0.321673 0.165960 Li\n0.321340 0.348754 0.415925 Li\n0.664709 0.652182 0.791159 Li\n0.651333 0.661773 0.541259 Li\n0.661780 0.653163 0.291558 Li\n0.651274 0.662085 0.041244 Li\n0.996116 0.329328 0.558574 Mn\n0.993474 0.326532 0.058893 Mn\n0.999530 0.678377 0.932934 Mn\n0.997572 0.676651 0.433359 Mn\n0.675379 0.998025 0.684328 Mn\n0.330412 0.996069 0.307504 Mn\n0.682271 0.994897 0.183734 Fe\n0.324250 0.999697 0.808622 Fe\n0.659477 0.003499 0.936435 B\n0.658589 0.002795 0.436996 B\n0.994088 0.331900 0.811843 B\n0.996423 0.334652 0.311481 B\n0.002330 0.659382 0.687804 B\n0.003371 0.660807 0.186839 B\n0.334426 0.995290 0.562161 B\n0.333675 0.994139 0.062814 B\n0.745419 0.068192 0.792718 O\n0.754017 0.070231 0.290324 O\n0.930487 0.253782 0.951838 O\n0.421543 0.033759 0.915869 O\n0.930415 0.253270 0.452085 O\n0.421208 0.033739 0.416308 O\n0.973158 0.581461 0.826215 O\n0.359327 0.269140 0.569441 O\n0.962448 0.577504 0.326792 O\n0.358669 0.268479 0.069635 O\n0.267770 0.349144 0.818172 O\n0.270345 0.358911 0.319062 O\n0.726743 0.629972 0.694693 O\n0.728572 0.639699 0.193717 O\n0.629451 0.728358 0.943788 O\n0.033513 0.422041 0.667002 O\n0.628682 0.727832 0.444216 O\n0.022207 0.415274 0.168017 O\n0.577483 0.961816 0.577593 O\n0.577236 0.961423 0.078333 O\n0.069547 0.752668 0.541057 O\n0.069759 0.751679 0.041432 O\n0.252618 0.930746 0.703198 O\n0.258013 0.929409 0.200615 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2165011897457516,
"density_atomic": 0.09611822617170215,
"volume": 499.38499608029093,
"volume_molar": 6.265347374640751,
"formula_full": "Li8 Mn6 Fe2 B8 O24",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy": -377.95125712,
"energy_per_atom": -7.873984523333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.94325712,
"band_gap": 2.6613000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.339000Z",
"spacegroup": 1
}
]
}