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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12102",
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"results": [
{
"id": "mp-995237",
"created_at": "2022-09-04T14:40:06.245038Z",
"structure_string": "Si4 H24 C4 I12 N4\n1.0\n8.582444 0.000000 0.000000\n0.174433 8.591599 0.000000\n0.247371 0.001790 12.954407\nSi H C I N\n4 24 4 12 4\ndirect\n0.000561 0.022173 0.963726 Si\n0.478054 0.491736 0.463460 Si\n0.976652 0.998444 0.463603 Si\n0.501029 0.521791 0.963644 Si\n0.918193 0.418059 0.294185 H\n0.963390 0.621178 0.292832 H\n0.034668 0.395437 0.121491 H\n0.083145 0.581241 0.120089 H\n0.895935 0.534699 0.120648 H\n0.414842 0.922244 0.296160 H\n0.469553 0.122763 0.292757 H\n0.526824 0.891640 0.122546 H\n0.583295 0.075229 0.119776 H\n0.394223 0.036872 0.122077 H\n0.489989 0.883437 0.795868 H\n0.395272 0.071374 0.792303 H\n0.592652 0.929255 0.622142 H\n0.510629 0.105937 0.618780 H\n0.400059 0.948185 0.622223 H\n0.914850 0.423139 0.795557 H\n0.974793 0.622175 0.792767 H\n0.023265 0.392959 0.620980 H\n0.083877 0.575133 0.618908 H\n0.894312 0.540879 0.622190 H\n0.604278 0.056156 0.792477 H\n0.617108 0.972022 0.293299 H\n0.117597 0.477237 0.293634 H\n0.118537 0.467957 0.791321 H\n0.001704 0.503848 0.766128 C\n0.500077 0.004406 0.266955 C\n0.497033 0.002488 0.766469 C\n0.000047 0.504995 0.266365 C\n0.003615 0.008788 0.760964 I\n0.498221 0.501274 0.261401 I\n0.998062 0.000397 0.261516 I\n0.505370 0.503372 0.760954 I\n0.759206 0.235351 0.994198 I\n0.256069 0.745374 0.495660 I\n0.229830 0.227149 0.992964 I\n0.763998 0.765139 0.493623 I\n0.257675 0.733725 0.991823 I\n0.754314 0.243406 0.491449 I\n0.728077 0.729074 0.991364 I\n0.262428 0.266337 0.490467 I\n0.000797 0.502322 0.651181 N\n0.501029 0.001948 0.151992 N\n0.500337 0.996769 0.651563 N\n0.003311 0.503818 0.151354 N\n",
"nsites": 48,
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"elements": [
"Si",
"H",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Si",
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"density_atomic": 0.050250307382130766,
"volume": 955.2180374735183,
"volume_molar": 11.984286412826005,
"formula_full": "Si4 H24 C4 I12 N4",
"formula_reduced": "SiH6CI3N",
"formula_anonymous": "ABCD3E6",
"energy": -210.35288708,
"energy_per_atom": -4.382351814166666,
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"band_gap": 0.815,
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"updated_at": "2021-11-28T01:34:50.392000Z",
"spacegroup": 1
},
{
"id": "mp-677140",
"created_at": "2022-09-04T14:40:06.395389Z",
"structure_string": "Y1 Al6 Si30 N45 O3\n1.0\n7.886752 0.000000 0.000000\n-3.925062 6.853241 0.000000\n-0.042968 -0.066365 17.125747\nY Al Si N O\n1 6 30 45 3\ndirect\n0.673820 0.325897 0.087258 Y\n0.492039 0.897721 0.097594 Al\n0.083846 0.254589 0.996960 Al\n0.575226 0.088560 0.266792 Al\n0.914455 0.168897 0.828257 Al\n0.911168 0.163895 0.497181 Al\n0.916857 0.172791 0.167182 Al\n0.156201 0.910191 0.996293 Si\n0.155220 0.909929 0.662398 Si\n0.157812 0.913206 0.331287 Si\n0.489700 0.909571 0.761388 Si\n0.491939 0.908565 0.432592 Si\n0.077636 0.563735 0.760700 Si\n0.080118 0.564518 0.430261 Si\n0.087060 0.569457 0.096353 Si\n0.745837 0.831149 0.996361 Si\n0.744730 0.833354 0.664769 Si\n0.746096 0.835702 0.336188 Si\n0.834122 0.745503 0.830523 Si\n0.835982 0.742131 0.499221 Si\n0.834028 0.754575 0.168168 Si\n0.427143 0.511435 0.760700 Si\n0.429259 0.511346 0.429488 Si\n0.425385 0.511251 0.095898 Si\n0.089019 0.261222 0.332778 Si\n0.089160 0.259878 0.663153 Si\n0.514152 0.431198 0.927465 Si\n0.516821 0.430612 0.595940 Si\n0.521714 0.439599 0.266096 Si\n0.929981 0.488925 0.925368 Si\n0.920536 0.484808 0.596313 Si\n0.922139 0.490408 0.266746 Si\n0.248813 0.086034 0.835191 Si\n0.247249 0.082304 0.171653 Si\n0.250077 0.087284 0.502975 Si\n0.569409 0.075168 0.924641 Si\n0.570587 0.084739 0.596108 Si\n0.604721 0.952244 0.670982 N\n0.610230 0.950135 0.345106 N\n0.610174 0.952880 0.999685 N\n0.043390 0.660410 0.672300 N\n0.048228 0.664217 0.341446 N\n0.047024 0.658127 0.006229 N\n0.992489 0.987752 0.998348 N\n0.004529 0.989673 0.829393 N\n0.997978 0.002643 0.665004 N\n0.004740 0.987429 0.497621 N\n0.004802 0.995857 0.163665 N\n0.329216 0.665911 0.778466 N\n0.330465 0.664333 0.448592 N\n0.322437 0.648692 0.120338 N\n0.676935 0.689514 0.750326 N\n0.680364 0.681616 0.418519 N\n0.678615 0.681744 0.084480 N\n0.685411 0.677453 0.915221 N\n0.687579 0.680369 0.583764 N\n0.684171 0.692012 0.250447 N\n0.009587 0.325925 0.743743 N\n0.009130 0.325511 0.413703 N\n0.977377 0.326266 0.079324 N\n0.348570 0.387156 0.670994 N\n0.363024 0.385190 0.008240 N\n0.348242 0.389762 0.338709 N\n0.394492 0.341320 0.836348 N\n0.392752 0.341549 0.504419 N\n0.407061 0.341045 0.169525 N\n0.951035 0.606795 0.836169 N\n0.954047 0.604516 0.505890 N\n0.941287 0.601338 0.169756 N\n0.670816 0.332089 0.948547 N\n0.669167 0.334103 0.614755 N\n0.676210 0.352949 0.284631 N\n0.319032 0.006864 0.918514 N\n0.319009 0.009315 0.586610 N\n0.308460 0.002910 0.253094 N\n0.009878 0.331627 0.911764 N\n0.010325 0.332135 0.253207 N\n0.003482 0.322799 0.584239 N\n0.640670 0.045364 0.834400 N\n0.639847 0.040302 0.507192 N\n0.651208 0.074565 0.166680 N\n0.999118 0.004707 0.333898 N\n0.310565 0.991323 0.749930 O\n0.313116 0.992841 0.418729 O\n0.310322 0.999910 0.082750 O\n",
"nsites": 85,
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"elements": [
"Y",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-O-Si-Y",
"density": 3.1782328411133762,
"density_atomic": 0.09182801845613504,
"volume": 925.6434085050339,
"volume_molar": 6.558064587745289,
"formula_full": "Y1 Al6 Si30 N45 O3",
"formula_reduced": "YAl6Si30(N15O)3",
"formula_anonymous": "AB3C6D30E45",
"energy": -700.0814087,
"energy_per_atom": -8.236251867058824,
"energy_above_hull": null,
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"band_gap": 3.0805,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.540000Z",
"spacegroup": 1
},
{
"id": "mp-1222859",
"created_at": "2022-09-04T14:40:06.409421Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.651008 0.000000 0.000000\n-0.016476 5.785009 0.000000\n-0.053800 -0.001015 8.071922\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.501010 0.999957 0.498559 Li\n0.999206 0.498997 0.001274 Li\n0.513938 0.545853 0.748616 La\n0.987302 0.043840 0.750695 La\n0.487247 0.454070 0.251219 La\n0.016585 0.946786 0.247924 Nd\n0.998846 0.499552 0.498262 Sb\n0.501333 0.000315 0.001615 Sb\n0.902867 0.537163 0.260074 O\n0.403860 0.968530 0.762352 O\n0.096991 0.467842 0.737836 O\n0.605953 0.032507 0.239247 O\n0.714128 0.303888 0.548321 O\n0.216287 0.194941 0.052873 O\n0.280377 0.699933 0.448941 O\n0.783340 0.803234 0.952447 O\n0.805937 0.781979 0.552846 O\n0.302716 0.720616 0.056797 O\n0.189658 0.215524 0.443583 O\n0.692418 0.284474 0.946517 O\n",
"nsites": 20,
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"elements": [
"Li",
"La",
"Nd",
"Sb",
"O"
],
"chemical_system": "La-Li-Nd-O-Sb",
"density": 6.35792507116496,
"density_atomic": 0.07579194949718629,
"volume": 263.8802687182823,
"volume_molar": 7.945620610040604,
"formula_full": "Li2 La3 Nd1 Sb2 O12",
"formula_reduced": "Li2La3Nd(SbO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy": -151.92629729,
"energy_per_atom": -7.5963148645,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:53.535000Z",
"spacegroup": 1
},
{
"id": "mp-1224604",
"created_at": "2022-09-04T14:40:06.428812Z",
"structure_string": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48\n1.0\n10.117259 0.000000 0.000000\n3.542755 9.900338 0.000000\n3.520129 1.624428 9.775165\nK Na Li Ti Mn Fe Si O\n2 4 2 4 3 1 16 48\ndirect\n0.249821 0.431555 0.568097 K\n0.750285 0.567796 0.432047 K\n0.698032 0.051422 0.472524 Na\n0.802032 0.527435 0.948470 Na\n0.301974 0.948712 0.527181 Na\n0.198208 0.472459 0.051693 Na\n0.248818 0.926970 0.075446 Li\n0.750125 0.073116 0.926412 Li\n0.379646 0.143736 0.035408 Ti\n0.119678 0.965718 0.855815 Ti\n0.619780 0.855911 0.965267 Ti\n0.880967 0.033961 0.144286 Ti\n0.402003 0.655075 0.026661 Mn\n0.903764 0.026891 0.652691 Mn\n0.598003 0.345370 0.972950 Mn\n0.097011 0.971135 0.345814 Fe\n0.107478 0.706955 0.756307 Si\n0.392415 0.244056 0.293177 Si\n0.892677 0.292578 0.244254 Si\n0.607835 0.756059 0.706750 Si\n0.935594 0.742631 0.549891 Si\n0.564047 0.450194 0.257859 Si\n0.065391 0.255786 0.448834 Si\n0.435513 0.550323 0.742392 Si\n0.081173 0.251660 0.955870 Si\n0.418566 0.044328 0.748365 Si\n0.918672 0.748481 0.044359 Si\n0.581452 0.955825 0.251863 Si\n0.418034 0.750661 0.296333 Si\n0.080988 0.703854 0.251190 Si\n0.581301 0.250514 0.703166 Si\n0.919091 0.296204 0.749008 Si\n0.019884 0.667884 0.671866 O\n0.479501 0.328733 0.332672 O\n0.980046 0.332799 0.327785 O\n0.520122 0.671870 0.667494 O\n0.905185 0.129013 0.274049 O\n0.598215 0.726730 0.869175 O\n0.097865 0.869246 0.727014 O\n0.401948 0.273176 0.130902 O\n0.261004 0.812277 0.395981 O\n0.237065 0.602379 0.193131 O\n0.736765 0.192636 0.601154 O\n0.763457 0.398539 0.806502 O\n0.063061 0.869168 0.213174 O\n0.435900 0.788202 0.131435 O\n0.936150 0.130918 0.787857 O\n0.564159 0.212228 0.868376 O\n0.256365 0.072652 0.168343 O\n0.242949 0.832159 0.927534 O\n0.743324 0.926616 0.832249 O\n0.756953 0.168226 0.073813 O\n0.240988 0.268476 0.939995 O\n0.258614 0.060302 0.731578 O\n0.758733 0.731563 0.060693 O\n0.741558 0.939440 0.268375 O\n0.069304 0.092269 0.997229 O\n0.430605 0.002657 0.907743 O\n0.930390 0.907915 0.002993 O\n0.569477 0.997174 0.092501 O\n0.773606 0.712713 0.609762 O\n0.726234 0.389165 0.288280 O\n0.226720 0.287224 0.390085 O\n0.273575 0.610223 0.711829 O\n0.920157 0.903743 0.511988 O\n0.580792 0.486703 0.096634 O\n0.081182 0.094940 0.484123 O\n0.419069 0.513784 0.903558 O\n0.035925 0.658930 0.921726 O\n0.464673 0.078534 0.341282 O\n0.963514 0.340771 0.078726 O\n0.535854 0.921641 0.658866 O\n0.965300 0.672030 0.185669 O\n0.533969 0.814792 0.329265 O\n0.034820 0.328459 0.814377 O\n0.464955 0.185605 0.671407 O\n0.017855 0.658660 0.420528 O\n0.480994 0.581023 0.341017 O\n0.983439 0.338243 0.579644 O\n0.517407 0.420198 0.659235 O\n",
"nsites": 80,
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"elements": [
"K",
"Na",
"Li",
"Ti",
"Mn",
"Fe",
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"O"
],
"chemical_system": "Fe-K-Li-Mn-Na-O-Si-Ti",
"density": 3.075605519502979,
"density_atomic": 0.08170582140782158,
"volume": 979.1224006021891,
"volume_molar": 7.370516147119365,
"formula_full": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48",
"formula_reduced": "K2Na4Li2Ti4Mn3Fe(SiO3)16",
"formula_anonymous": "AB2C2D3E4F4G16H48",
"energy": -646.02792316,
"energy_per_atom": -8.0753490395,
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"updated_at": "2021-11-28T01:34:46.680000Z",
"spacegroup": 1
},
{
"id": "mp-1229175",
"created_at": "2022-09-04T14:40:07.223921Z",
"structure_string": "Cs4 H4 Se1 S3 O16\n1.0\n0.226142 -0.010966 7.877882\n7.485081 0.006068 -2.735954\n0.002089 8.393758 -0.010384\nCs H Se S O\n4 4 1 3 16\ndirect\n0.704264 0.211989 0.376052 Cs\n0.795821 0.791610 0.877238 Cs\n0.295348 0.790474 0.627233 Cs\n0.206266 0.211052 0.123141 Cs\n0.540446 0.624932 0.206740 H\n0.948569 0.366931 0.716521 H\n0.449337 0.366041 0.783904 H\n0.055898 0.629686 0.288176 H\n0.783861 0.755892 0.373127 Se\n0.716492 0.247146 0.871907 S\n0.216548 0.246376 0.627933 S\n0.283523 0.753353 0.127694 S\n0.685612 0.816719 0.525376 O\n0.804893 0.193886 0.007326 O\n0.304150 0.192569 0.492872 O\n0.196290 0.807693 0.992174 O\n0.623598 0.578099 0.276187 O\n0.861473 0.407913 0.782796 O\n0.361674 0.407202 0.717247 O\n0.139758 0.590931 0.214335 O\n0.862349 0.914015 0.240208 O\n0.647543 0.106388 0.753722 O\n0.148082 0.105722 0.746121 O\n0.351993 0.892641 0.246800 O\n0.932877 0.658015 0.429577 O\n0.582830 0.332163 0.921117 O\n0.082226 0.331050 0.578173 O\n0.418279 0.669513 0.076302 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Cs",
"H",
"Se",
"S",
"O"
],
"chemical_system": "Cs-H-O-S-Se",
"density": 3.2098925395656135,
"density_atomic": 0.055983912877702255,
"volume": 500.14367629441057,
"volume_molar": 10.756912924531484,
"formula_full": "Cs4 H4 Se1 S3 O16",
"formula_reduced": "Cs4H4SeS3O16",
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"energy": -163.96209763,
"energy_per_atom": -5.8557892010714285,
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"updated_at": "2021-11-28T01:34:53.349000Z",
"spacegroup": 1
},
{
"id": "mp-1175613",
"created_at": "2022-09-04T14:40:06.499147Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.902627 0.000000 0.000000\n-0.308203 5.906180 0.000000\n-0.105346 -0.128864 8.126572\nLi Mn Co O\n9 2 5 16\ndirect\n0.005236 0.496214 0.003746 Li\n0.251022 0.749386 0.251416 Li\n0.251439 0.250559 0.750204 Li\n0.494190 0.496400 0.007658 Li\n0.497161 0.003372 0.496237 Li\n0.748221 0.248517 0.748827 Li\n0.749930 0.748456 0.249783 Li\n0.004323 0.003638 0.492139 Li\n0.249959 0.252032 0.249784 Li\n0.000861 0.002943 0.003444 Mn\n0.004784 0.494912 0.499264 Mn\n0.500382 0.497909 0.496116 Co\n0.748829 0.748869 0.749778 Co\n0.494308 0.008014 0.006180 Co\n0.752474 0.252361 0.250718 Co\n0.247013 0.751563 0.749097 Co\n0.749761 0.766223 0.986944 O\n0.002310 0.996276 0.233468 O\n0.014663 0.512724 0.739314 O\n0.230982 0.769995 0.989729 O\n0.241363 0.284760 0.501114 O\n0.513150 0.513802 0.737694 O\n0.520898 0.013885 0.240125 O\n0.767052 0.254761 0.492952 O\n0.245096 0.230254 0.997439 O\n0.500955 0.498410 0.266621 O\n0.484049 0.985115 0.757404 O\n0.770007 0.232607 0.006844 O\n0.760687 0.717735 0.511474 O\n0.981023 0.987516 0.760671 O\n0.982790 0.486139 0.263574 O\n0.235082 0.744651 0.510242 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.237686926528634,
"density_atomic": 0.11295112793028209,
"volume": 283.30837049942227,
"volume_molar": 5.331634017605477,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.84931434,
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"updated_at": "2021-11-28T01:34:48.331000Z",
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},
{
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{
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{
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}