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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10136",
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"results": [
{
"id": "mp-753369",
"created_at": "2022-09-04T14:39:58.841171Z",
"structure_string": "Li4 V2 Si2 O8\n1.0\n5.801033 0.000000 0.000000\n0.000000 4.828909 0.000000\n0.000000 4.789342 6.326307\nLi V Si O\n4 2 2 8\ndirect\n0.854700 0.506753 0.002075 Li\n0.694339 0.764396 0.244126 Li\n0.145300 0.506753 0.502075 Li\n0.305661 0.764396 0.744126 Li\n0.348744 0.270404 0.260568 V\n0.651256 0.270404 0.760568 V\n0.165168 0.992919 0.999022 Si\n0.834832 0.992919 0.499022 Si\n0.319389 0.865180 0.214251 O\n0.700583 0.314187 0.282223 O\n0.838166 0.653585 0.496735 O\n0.102962 0.101176 0.502302 O\n0.680611 0.865180 0.714251 O\n0.299417 0.314187 0.782223 O\n0.897038 0.101176 0.002302 O\n0.161834 0.653585 0.996735 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.940462765026633,
"density_atomic": 0.09028495003600182,
"volume": 177.2166899756812,
"volume_molar": 6.6701490753427075,
"formula_full": "Li4 V2 Si2 O8",
"formula_reduced": "Li2VSiO4",
"formula_anonymous": "ABC2D4",
"energy": -117.73166008,
"energy_per_atom": -7.358228755,
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"energy_uncorrected": -108.83566008,
"band_gap": 1.7175000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0011851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.018000Z",
"spacegroup": 7
},
{
"id": "mp-695000",
"created_at": "2022-09-04T14:39:58.721614Z",
"structure_string": "Li2 Mg12 Sc2 Si16 O48\n1.0\n14.034785 0.000000 0.000000\n0.000000 7.828603 0.000000\n0.000000 0.516346 7.926703\nLi Mg Sc Si O\n2 12 2 16 48\ndirect\n0.410130 0.429625 0.099951 Li\n0.589870 0.929625 0.099951 Li\n0.745305 0.291330 0.527709 Mg\n0.171691 0.055779 0.757370 Mg\n0.254695 0.791330 0.527709 Mg\n0.828309 0.555779 0.757370 Mg\n0.362344 0.192339 0.722755 Mg\n0.973984 0.182725 0.691838 Mg\n0.637656 0.692339 0.722755 Mg\n0.026016 0.682725 0.691838 Mg\n0.850111 0.094224 0.291105 Mg\n0.050920 0.335752 0.075632 Mg\n0.949080 0.835752 0.075632 Mg\n0.149889 0.594224 0.291105 Mg\n0.745871 0.688068 0.375589 Sc\n0.254129 0.188068 0.375589 Sc\n0.837024 0.467654 0.095073 Si\n0.238534 0.644609 0.930532 Si\n0.761466 0.144609 0.930532 Si\n0.162976 0.967654 0.095073 Si\n0.522885 0.441429 0.566663 Si\n0.939908 0.452951 0.412648 Si\n0.477115 0.941429 0.566663 Si\n0.060092 0.952951 0.412648 Si\n0.822464 0.908113 0.688441 Si\n0.597948 0.585034 0.139930 Si\n0.402052 0.085034 0.139930 Si\n0.177536 0.408113 0.688441 Si\n0.598665 0.132348 0.376361 Si\n0.401335 0.632348 0.376361 Si\n0.553789 0.261906 0.938608 Si\n0.446211 0.761906 0.938608 Si\n0.566713 0.390922 0.083538 O\n0.065989 0.402123 0.755190 O\n0.934011 0.902123 0.755190 O\n0.433287 0.890922 0.083538 O\n0.095007 0.798205 0.143364 O\n0.559024 0.689563 0.947894 O\n0.440976 0.189563 0.947894 O\n0.904993 0.298205 0.143364 O\n0.477056 0.586741 0.231133 O\n0.902207 0.604846 0.971495 O\n0.522944 0.086741 0.231133 O\n0.097793 0.104846 0.971495 O\n0.289185 0.652712 0.328094 O\n0.929804 0.564588 0.580539 O\n0.070196 0.064588 0.580539 O\n0.710815 0.152712 0.328094 O\n0.628727 0.752043 0.244301 O\n0.217242 0.608443 0.725726 O\n0.782758 0.108443 0.725726 O\n0.371273 0.252043 0.244301 O\n0.195977 0.389734 0.488501 O\n0.730115 0.529187 0.581079 O\n0.269885 0.029187 0.581079 O\n0.804023 0.889734 0.488501 O\n0.961080 0.942060 0.310897 O\n0.450466 0.140992 0.556629 O\n0.549534 0.640992 0.556629 O\n0.038920 0.442060 0.310897 O\n0.408849 0.830179 0.446109 O\n0.641078 0.119933 0.946102 O\n0.358922 0.619933 0.946102 O\n0.591151 0.330179 0.446109 O\n0.551964 0.369473 0.758272 O\n0.108020 0.767156 0.487784 O\n0.448036 0.869473 0.758272 O\n0.891980 0.267156 0.487784 O\n0.756236 0.774715 0.798236 O\n0.135371 0.064797 0.285068 O\n0.243764 0.274715 0.798236 O\n0.864629 0.564797 0.285068 O\n0.593474 0.966547 0.526933 O\n0.406526 0.466547 0.526933 O\n0.818239 0.007661 0.053083 O\n0.181761 0.507661 0.053083 O\n0.785022 0.352522 0.917323 O\n0.278745 0.030971 0.142506 O\n0.214978 0.852522 0.917323 O\n0.721255 0.530971 0.142506 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mg",
"Sc",
"Si",
"O"
],
"chemical_system": "Li-Mg-O-Sc-Si",
"density": 3.0749999536426413,
"density_atomic": 0.09185596558844698,
"volume": 870.9287359563923,
"volume_molar": 6.556069299822835,
"formula_full": "Li2 Mg12 Sc2 Si16 O48",
"formula_reduced": "LiMg6Sc(SiO3)8",
"formula_anonymous": "ABC6D8E24",
"energy": -600.17457802,
"energy_per_atom": -7.50218222525,
"energy_above_hull": null,
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"energy_uncorrected": -567.19857802,
"band_gap": 3.2111,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003194,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.232000Z",
"spacegroup": 7
},
{
"id": "mp-1044082",
"created_at": "2022-09-04T14:39:58.944659Z",
"structure_string": "La2 Zn2 Fe2 Mo2 O12\n1.0\n-0.001207 5.534585 0.026332\n0.009343 0.040816 7.775858\n5.969696 -0.001315 0.007125\nLa Zn Fe Mo O\n2 2 2 2 12\ndirect\n0.978794 0.247426 0.069875 La\n0.479346 0.748173 0.430808 La\n0.477091 0.253688 0.386249 Zn\n0.977744 0.753478 0.112971 Zn\n0.495551 0.504409 0.973922 Fe\n0.994912 0.003622 0.524914 Fe\n0.999828 0.496598 0.529289 Mo\n0.499312 0.996846 0.970002 Mo\n0.633292 0.752173 0.033414 O\n0.132872 0.251805 0.468071 O\n0.203431 0.941706 0.183010 O\n0.703190 0.442053 0.316557 O\n0.175781 0.549735 0.212382 O\n0.675275 0.049550 0.288465 O\n0.908953 0.747895 0.493768 O\n0.407612 0.247513 0.006310 O\n0.304511 0.552420 0.678598 O\n0.804133 0.053116 0.821522 O\n0.323953 0.953548 0.717186 O\n0.824417 0.454248 0.782687 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-La-Mo-O-Zn",
"density": 5.84434069514442,
"density_atomic": 0.07784951082990148,
"volume": 256.9059174141674,
"volume_molar": 7.735617983725256,
"formula_full": "La2 Zn2 Fe2 Mo2 O12",
"formula_reduced": "LaZnFeMoO6",
"formula_anonymous": "ABCDE6",
"energy": -156.6487653,
"energy_per_atom": -7.832438265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.4887653,
"band_gap": 1.7031999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.659000Z",
"spacegroup": 7
},
{
"id": "mp-1201766",
"created_at": "2022-09-04T14:39:59.327903Z",
"structure_string": "Na2 Cu2 H56 C2 S12 N8 O28\n1.0\n15.644135 0.000000 0.000000\n0.000000 6.718798 0.000000\n0.000000 6.063126 10.994284\nNa Cu H C S N O\n2 2 56 2 12 8 28\ndirect\n0.878695 0.198557 0.044479 Na\n0.121305 0.198557 0.544479 Na\n0.694422 0.498522 0.500226 Cu\n0.305578 0.498522 0.000226 Cu\n0.910795 0.606143 0.798821 H\n0.089205 0.606143 0.298821 H\n0.955945 0.633945 0.914641 H\n0.044055 0.633945 0.414641 H\n0.917131 0.865839 0.788287 H\n0.082869 0.865839 0.288287 H\n0.006956 0.731370 0.777857 H\n0.993044 0.731370 0.277857 H\n0.729407 0.043906 0.295463 H\n0.270593 0.043906 0.795463 H\n0.728186 0.293805 0.297333 H\n0.271814 0.293805 0.797333 H\n0.732251 0.046020 0.430671 H\n0.267749 0.046020 0.930671 H\n0.640281 0.122593 0.345880 H\n0.359719 0.122593 0.845880 H\n0.605790 0.862660 0.029628 H\n0.394210 0.862660 0.529628 H\n0.691298 0.982503 0.062394 H\n0.308702 0.982503 0.562394 H\n0.656716 0.091422 0.916693 H\n0.343284 0.091422 0.416693 H\n0.596800 0.119209 0.021055 H\n0.403200 0.119209 0.521055 H\n0.656490 0.872678 0.643540 H\n0.343510 0.872678 0.143540 H\n0.562591 0.000750 0.645305 H\n0.437409 0.000750 0.145305 H\n0.560145 0.761009 0.633451 H\n0.439855 0.761009 0.133451 H\n0.590763 0.747645 0.766166 H\n0.409237 0.747645 0.266166 H\n0.066927 0.289984 0.973660 H\n0.933073 0.289984 0.473660 H\n0.985046 0.994925 0.902683 H\n0.014954 0.994925 0.402683 H\n0.084765 0.923211 0.982031 H\n0.915235 0.923211 0.482031 H\n0.076988 0.166014 0.833388 H\n0.923012 0.166014 0.333388 H\n0.936149 0.561866 0.124884 H\n0.063851 0.561866 0.624884 H\n0.020228 0.444881 0.117867 H\n0.979772 0.444881 0.617867 H\n0.725607 0.523909 0.950791 H\n0.274393 0.523909 0.450791 H\n0.778546 0.548642 0.047243 H\n0.221454 0.548642 0.547243 H\n0.793826 0.768830 0.627025 H\n0.206174 0.768830 0.127025 H\n0.791857 0.004031 0.628350 H\n0.208143 0.004031 0.128350 H\n0.464605 0.316718 0.844350 H\n0.535395 0.316718 0.344350 H\n0.485177 0.197448 0.766430 H\n0.514823 0.197448 0.266430 H\n0.043379 0.064218 0.920182 C\n0.956621 0.064218 0.420182 C\n0.577802 0.603559 0.389377 S\n0.422198 0.603559 0.889377 S\n0.691032 0.320656 0.701324 S\n0.308968 0.320656 0.201324 S\n0.823374 0.567468 0.417851 S\n0.176626 0.567468 0.917851 S\n0.475984 0.505568 0.508793 S\n0.524016 0.505568 0.008793 S\n0.817175 0.265762 0.755665 S\n0.182825 0.265762 0.255665 S\n0.812497 0.722655 0.232480 S\n0.187503 0.722655 0.732480 S\n0.948011 0.709652 0.820843 N\n0.051989 0.709652 0.320843 N\n0.707761 0.125382 0.342659 N\n0.292239 0.125382 0.842659 N\n0.638125 0.013334 0.007128 N\n0.361875 0.013334 0.507128 N\n0.592375 0.846355 0.671708 N\n0.407625 0.846355 0.171708 N\n0.477257 0.628607 0.580296 O\n0.522743 0.628607 0.080296 O\n0.398242 0.565348 0.430673 O\n0.601758 0.565348 0.930673 O\n0.479864 0.254669 0.592174 O\n0.520136 0.254669 0.092174 O\n0.861048 0.491710 0.707166 O\n0.138952 0.491710 0.207166 O\n0.858875 0.132979 0.702644 O\n0.141125 0.132979 0.202644 O\n0.817552 0.139959 0.889498 O\n0.182448 0.139959 0.389498 O\n0.763431 0.579957 0.193597 O\n0.236569 0.579957 0.693597 O\n0.901555 0.761518 0.182114 O\n0.098445 0.761518 0.682114 O\n0.769725 0.948506 0.187734 O\n0.230275 0.948506 0.687734 O\n0.016859 0.202652 0.972240 O\n0.983141 0.202652 0.472240 O\n0.960668 0.469774 0.090207 O\n0.039332 0.469774 0.590207 O\n0.784152 0.510090 0.981276 O\n0.215848 0.510090 0.481276 O\n0.763614 0.915886 0.593702 O\n0.236386 0.915886 0.093702 O\n0.469729 0.165885 0.849096 O\n0.530271 0.165885 0.349096 O\n",
"nsites": 110,
"nelements": 7,
"elements": [
"Na",
"Cu",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-Cu-H-N-Na-O-S",
"density": 1.7219648177431437,
"density_atomic": 0.09518808606088393,
"volume": 1155.6068049276894,
"volume_molar": 6.326569856807643,
"formula_full": "Na2 Cu2 H56 C2 S12 N8 O28",
"formula_reduced": "NaCuH28CS6(N2O7)2",
"formula_anonymous": "ABCD4E6F14G28",
"energy": -581.71513342,
"energy_per_atom": -5.288319394727273,
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"formation_energy": null,
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"energy_uncorrected": -562.47913342,
"band_gap": 3.3458,
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"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.477000Z",
"spacegroup": 7
},
{
"id": "mp-857355",
"created_at": "2022-09-04T14:40:00.033082Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000017 5.333735 0.000035\n-2.429593 0.000044 7.874333\n8.603984 0.000029 0.172601\nLi Mn P O\n4 4 4 16\ndirect\n0.338908 0.869561 0.212494 Li\n0.661097 0.869565 0.712501 Li\n0.824176 0.362093 0.381439 Li\n0.175827 0.362096 0.881443 Li\n0.323578 0.489443 0.267646 Mn\n0.676437 0.489451 0.767630 Mn\n0.839551 0.961905 0.070207 Mn\n0.160462 0.961883 0.570172 Mn\n0.675363 0.251076 0.005750 P\n0.324636 0.251071 0.505749 P\n0.819688 0.740256 0.336373 P\n0.180305 0.740254 0.836367 P\n0.200494 0.873029 0.004510 O\n0.799490 0.873034 0.504515 O\n0.402882 0.319370 0.043109 O\n0.597116 0.319364 0.543102 O\n0.696706 0.809560 0.203806 O\n0.303289 0.809563 0.703801 O\n0.108449 0.710914 0.300703 O\n0.891547 0.710910 0.800699 O\n0.800519 0.227888 0.162345 O\n0.199488 0.227876 0.662341 O\n0.687167 0.575561 0.342032 O\n0.312839 0.575561 0.842028 O\n0.176483 0.377807 0.436020 O\n0.823500 0.377806 0.936008 O\n0.315008 0.070352 0.387400 O\n0.684995 0.070354 0.887413 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.8653000262393626,
"density_atomic": 0.07700756593207772,
"volume": 363.6006366529827,
"volume_molar": 7.820193622678133,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -217.46423935,
"energy_per_atom": -7.766579976785715,
"energy_above_hull": null,
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"energy_uncorrected": -199.80023935,
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"is_magnetic": true,
"total_magnetization": 3.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.791000Z",
"spacegroup": 7
},
{
"id": "mp-773070",
"created_at": "2022-09-04T14:40:00.195784Z",
"structure_string": "K6 Nb12 O30\n1.0\n12.962290 0.000000 0.000000\n0.000000 4.118914 0.000000\n0.000000 0.298936 12.931154\nK Nb O\n6 12 30\ndirect\n0.244434 0.520168 0.001281 K\n0.413981 0.513427 0.326630 K\n0.586019 0.513427 0.826630 K\n0.755566 0.520168 0.501281 K\n0.929397 0.506959 0.171101 K\n0.070603 0.506959 0.671101 K\n0.238827 0.001176 0.486986 Nb\n0.321334 0.032909 0.795166 Nb\n0.371952 0.391692 0.631788 Nb\n0.447446 0.013135 0.072685 Nb\n0.552554 0.013135 0.572685 Nb\n0.628048 0.391692 0.131788 Nb\n0.678666 0.032909 0.295166 Nb\n0.761173 0.001176 0.986986 Nb\n0.834664 0.986989 0.706316 Nb\n0.957490 0.987850 0.420914 Nb\n0.042510 0.987850 0.920914 Nb\n0.165336 0.986989 0.206316 Nb\n0.262260 0.535159 0.509851 O\n0.251833 0.051751 0.649963 O\n0.318258 0.032820 0.141510 O\n0.329023 0.548200 0.782103 O\n0.391414 0.026909 0.933969 O\n0.400629 0.065265 0.509137 O\n0.463314 0.035800 0.711482 O\n0.471603 0.532445 0.077230 O\n0.528397 0.532445 0.577230 O\n0.536686 0.035800 0.211482 O\n0.599371 0.065265 0.009137 O\n0.608586 0.026909 0.433969 O\n0.670977 0.548200 0.282103 O\n0.681742 0.032820 0.641510 O\n0.748167 0.051751 0.149963 O\n0.737740 0.535159 0.009851 O\n0.747946 0.035048 0.842994 O\n0.819709 0.036432 0.358729 O\n0.826667 0.539612 0.706441 O\n0.892751 0.035617 0.568595 O\n0.905162 0.033151 0.002102 O\n0.962555 0.031587 0.787266 O\n0.956898 0.539677 0.423692 O\n0.043102 0.539677 0.923692 O\n0.037445 0.031587 0.287266 O\n0.094838 0.033151 0.502102 O\n0.107249 0.035617 0.068595 O\n0.173333 0.539612 0.206441 O\n0.180291 0.036432 0.858729 O\n0.252054 0.035048 0.342994 O\n",
"nsites": 48,
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"elements": [
"K",
"Nb",
"O"
],
"chemical_system": "K-Nb-O",
"density": 4.400150295908235,
"density_atomic": 0.06952475957840484,
"volume": 690.4015244507128,
"volume_molar": 8.661864919084945,
"formula_full": "K6 Nb12 O30",
"formula_reduced": "KNb2O5",
"formula_anonymous": "AB2C5",
"energy": -411.76012689999993,
"energy_per_atom": -8.578335977083333,
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"updated_at": "2021-11-28T01:34:43.444000Z",
"spacegroup": 7
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{
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"id": "mp-1245837",
"created_at": "2022-09-04T14:40:03.153880Z",
"structure_string": "Mn2 Ge14 N20\n1.0\n7.013750 0.000000 0.054739\n0.000000 7.339367 0.000000\n-2.626580 0.000000 9.959851\nMn Ge N\n2 14 20\ndirect\n0.990076 0.921768 0.702334 Mn\n0.990076 0.078232 0.202334 Mn\n0.541876 0.977828 0.820937 Ge\n0.541876 0.022172 0.320937 Ge\n0.335357 0.020522 0.018560 Ge\n0.335357 0.979478 0.518560 Ge\n0.112871 0.394603 0.072741 Ge\n0.112871 0.605397 0.572741 Ge\n0.661099 0.355804 0.993377 Ge\n0.661099 0.644196 0.493377 Ge\n0.843368 0.614303 0.812056 Ge\n0.843368 0.385697 0.312056 Ge\n0.303913 0.622432 0.880685 Ge\n0.303913 0.377568 0.380685 Ge\n0.490993 0.362463 0.684610 Ge\n0.490993 0.637537 0.184610 Ge\n0.761833 0.855053 0.803238 N\n0.761833 0.144947 0.303238 N\n0.543288 0.133988 0.966005 N\n0.543288 0.866012 0.466005 N\n0.299941 0.874818 0.858638 N\n0.299941 0.125182 0.358638 N\n0.128849 0.145549 0.049834 N\n0.128849 0.854451 0.549834 N\n0.300102 0.515453 0.719198 N\n0.300102 0.484547 0.219198 N\n0.441095 0.118792 0.669714 N\n0.441095 0.881208 0.169714 N\n0.884794 0.376211 0.135034 N\n0.884794 0.623789 0.635034 N\n0.080598 0.569673 0.937896 N\n0.080598 0.430327 0.437896 N\n0.709888 0.401710 0.825569 N\n0.709888 0.598290 0.325569 N\n0.512359 0.553583 0.018874 N\n0.512359 0.446417 0.518874 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"N"
],
"chemical_system": "Ge-Mn-N",
"density": 4.547568974933359,
"density_atomic": 0.07007253563745476,
"volume": 513.7533510455341,
"volume_molar": 8.594152766438611,
"formula_full": "Mn2 Ge14 N20",
"formula_reduced": "MnGe7N10",
"formula_anonymous": "AB7C10",
"energy": -253.34262181,
"energy_per_atom": -7.037295050277778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.12262181,
"band_gap": 1.3206000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0014014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.747000Z",
"spacegroup": 7
}
]
}