{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=49","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=47","results":[{"id":"mp-19460","created_at":"2022-09-04T14:46:58.039612Z","structure_string":"Ba5 Nd8 Mn4 O21\n1.0\n-7.203802 7.203802 2.973865\n7.203802 -7.203802 2.973865\n7.203802 7.203802 -2.973865\nBa Nd Mn O\n5 8 4 21\ndirect\n0.530742 0.864333 0.395076 Ba\n0.864333 0.469258 0.333591 Ba\n0.135667 0.530742 0.666409 Ba\n0.469258 0.135667 0.604924 Ba\n0.000000 0.000000 0.000000 Ba\n0.410934 0.642954 0.053888 Nd\n0.642954 0.589066 0.232020 Nd\n0.357046 0.410934 0.767980 Nd\n0.589066 0.357046 0.946112 Nd\n0.247151 0.831437 0.078588 Nd\n0.831437 0.752849 0.584287 Nd\n0.168563 0.247151 0.415713 Nd\n0.752849 0.168563 0.921412 Nd\n0.040341 0.747909 0.788250 Mn\n0.747909 0.959659 0.707568 Mn\n0.252091 0.040341 0.292432 Mn\n0.959659 0.252091 0.211750 Mn\n0.901577 0.494779 0.888600 O\n0.494779 0.606180 0.593202 O\n0.012977 0.901577 0.406798 O\n0.606180 0.012977 0.111400 O\n0.098423 0.505221 0.111400 O\n0.505221 0.393820 0.406798 O\n0.987023 0.098423 0.593202 O\n0.393820 0.987023 0.888600 O\n0.068495 0.293673 0.867101 O\n0.293673 0.426572 0.225178 O\n0.201394 0.068495 0.774822 O\n0.426572 0.201394 0.132899 O\n0.931505 0.706327 0.132899 O\n0.706327 0.573428 0.774822 O\n0.798606 0.931505 0.225178 O\n0.573428 0.798606 0.867101 O\n0.622919 0.032113 0.655033 O\n0.500000 0.500000 0.000000 O\n0.377081 0.967887 0.344967 O\n0.967887 0.622919 0.590806 O\n0.032113 0.377081 0.409194 O\n","nsites":38,"nelements":4,"elements":["Ba","Nd","Mn","O"],"chemical_system":"Ba-Mn-Nd-O","density":6.445957335709667,"density_atomic":0.061557194812222334,"volume":617.3120805117488,"volume_molar":9.783000636026852,"formula_full":"Ba5 Nd8 Mn4 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O\n","nsites":42,"nelements":4,"elements":["Sr","P","Cl","O"],"chemical_system":"Cl-O-P-Sr","density":3.9706775046463902,"density_atomic":0.06620611035058169,"volume":634.3825332374474,"volume_molar":9.09604978771735,"formula_full":"Sr10 P6 Cl2 O24","formula_reduced":"Sr5P3ClO12","formula_anonymous":"AB3C5D12","energy":-311.74730417,"energy_per_atom":-7.422554861190476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.03130417,"band_gap":5.15,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003581,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.104000Z","spacegroup":176},{"id":"mp-1197684","created_at":"2022-09-04T14:46:57.471096Z","structure_string":"Na20 Al4 H32 O32\n1.0\n9.463854 0.000000 0.000000\n0.000000 9.463854 0.000000\n0.000000 0.000000 9.660960\nNa Al H O\n20 4 32 32\ndirect\n0.377582 0.869351 0.483238 Na\n0.622418 0.130649 0.983238 Na\n0.369351 0.122418 0.733238 Na\n0.630649 0.877582 0.233238 Na\n0.130649 0.622418 0.016762 Na\n0.869351 0.377582 0.516762 Na\n0.122418 0.369351 0.266762 Na\n0.877582 0.630649 0.766762 Na\n0.114460 0.628209 0.527824 Na\n0.885540 0.371791 0.027824 Na\n0.128209 0.385540 0.777824 Na\n0.871791 0.614460 0.277824 Na\n0.371791 0.885540 0.972176 Na\n0.628209 0.114460 0.472176 Na\n0.385540 0.128209 0.222176 Na\n0.614460 0.871791 0.722176 Na\n0.876085 0.876085 0.500000 Na\n0.123915 0.123915 0.000000 Na\n0.376085 0.623915 0.750000 Na\n0.623915 0.376085 0.250000 Na\n0.130854 0.869146 0.250000 Al\n0.869146 0.130854 0.750000 Al\n0.369146 0.369146 0.500000 Al\n0.630854 0.630854 0.000000 Al\n0.892786 0.952902 0.203632 H\n0.107214 0.047098 0.703632 H\n0.452902 0.607214 0.453632 H\n0.547098 0.392786 0.953632 H\n0.047098 0.107214 0.296368 H\n0.952902 0.892786 0.796368 H\n0.607214 0.452902 0.546368 H\n0.392786 0.547098 0.046368 H\n0.362657 0.782783 0.193805 H\n0.637343 0.217217 0.693805 H\n0.282783 0.137343 0.443805 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0.250883 0.087936 Li\n0.886071 0.790862 0.066344 Li\n0.384621 0.737628 0.062690 Li\n0.460684 0.430046 0.141888 Li\n0.894462 0.441987 0.245376 Li\n0.686779 0.701828 0.523089 Li\n0.061352 0.669595 0.567811 Li\n0.022644 0.125003 0.547853 Li\n0.561383 0.213723 0.595061 Li\n0.163274 0.444587 0.609310 Li\n0.254150 0.960968 0.617182 Li\n0.591383 0.974521 0.595971 Li\n0.662435 0.468615 0.595780 Li\n0.673762 0.587034 0.878357 Li\n0.339977 0.355719 0.876605 Li\n0.424081 0.104527 0.779860 Li\n0.847006 0.011546 0.682959 Li\n0.204304 0.044487 0.913636 Li\n0.348022 0.614576 0.844349 Li\n0.890600 0.103276 0.894015 Li\n0.884369 0.537640 0.019894 Li\n0.624109 0.078445 0.944935 Li\n0.105548 0.131776 0.133033 Li\n0.464205 0.783686 0.599172 Li\n0.438864 0.549708 0.644807 Li\n0.670517 0.685203 0.106994 Li\n0.121743 0.677029 0.119316 Li\n0.882210 0.529634 0.714249 Li\n0.924996 0.864024 0.510781 Li\n0.777467 0.128348 0.506704 Li\n0.874046 0.553963 0.473458 Li\n0.372821 0.000786 0.450966 Li\n0.276965 0.520022 0.449117 Li\n0.093206 0.281748 0.951108 Li\n0.173417 0.798429 0.936357 Li\n0.608870 0.811205 0.954839 Li\n0.622099 0.321696 0.976027 Li\n0.720032 0.609464 0.300354 Li\n0.764724 0.128418 0.252297 Li\n0.311952 0.595978 0.244054 Li\n0.326752 0.040897 0.242584 Li\n0.078200 0.888247 0.743740 Li\n0.624578 0.907202 0.771339 Li\n0.570201 0.365721 0.772897 Li\n0.079985 0.405777 0.779621 Li\n0.906520 0.715694 0.861643 Li\n0.839238 0.347340 0.858135 Li\n0.181160 0.176012 0.743437 Li\n0.352007 0.875588 0.790429 Li\n0.972523 0.213674 0.346124 Li\n0.567191 0.126927 0.371065 Li\n0.531804 0.510126 0.397704 Li\n0.079052 0.590174 0.345576 Li\n0.567032 0.138782 0.135475 Li\n0.450835 0.299790 0.306119 Li\n0.142183 0.413297 0.145903 Li\n0.124099 0.979870 0.409999 Li\n0.667319 0.910647 0.400931 Li\n0.211317 0.307912 0.317617 Li\n0.751030 0.357575 0.415235 Li\n0.935167 0.759446 0.306915 Li\n0.442471 0.787602 0.343898 Li\n0.231096 0.224744 0.503498 Li\n0.996421 0.972739 0.006664 Be\n0.360382 0.336042 0.665650 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0.869907 0.661565 H\n0.225819 0.548742 0.121521 H\n0.179544 0.610647 0.670724 H\n0.461679 0.079175 0.026971 H\n0.017265 0.098964 0.697760 H\n0.781286 0.688057 0.975402 H\n0.533359 0.649910 0.955742 H\n0.468548 0.942378 0.692625 H\n0.588991 0.641201 0.629446 H\n0.091183 0.520589 0.478396 H\n0.076493 0.927341 0.090512 H\n0.881325 0.708513 0.548284 H\n0.606829 0.225981 0.261037 H\n0.698269 0.537911 0.455937 H\n0.485331 0.869785 0.046689 H\n0.174908 0.457658 0.951571 H\n0.566762 0.542602 0.096624 H\n0.253081 0.669557 0.533507 H\n0.375606 0.703362 0.698905 H\n0.777067 0.566932 0.152766 H\n0.860317 0.946058 0.985803 H\n0.900427 0.600826 0.338555 H\n0.251804 0.208508 0.913089 H\n0.221040 0.776980 0.064845 H\n0.720428 0.216248 0.893926 H\n","nsites":125,"nelements":3,"elements":["Li","Be","H"],"chemical_system":"Be-H-Li","density":0.8150208289237363,"density_atomic":0.08645086458997206,"volume":1445.9080379688821,"volume_molar":6.965969384531227,"formula_full":"Li66 Be24 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0.093762 0.610003 Pb\n0.589828 0.502909 0.225853 Pb\n0.502909 0.589828 0.725853 Pb\n0.028987 0.681522 0.388250 Pb\n0.681522 0.028987 0.888250 Pb\n0.508456 0.881752 0.182407 Br\n0.881752 0.508456 0.682407 Br\n0.339907 0.573810 0.470890 Br\n0.573810 0.339907 0.970890 Br\n0.078129 0.299852 0.090790 Br\n0.299852 0.078129 0.590790 Br\n0.156598 0.616613 0.906882 N\n0.616613 0.156598 0.406882 N\n0.265958 0.742255 0.199638 O\n0.742255 0.265958 0.699638 O\n0.566778 0.817530 0.284903 O\n0.817530 0.566778 0.784903 O\n0.526162 0.789399 0.079232 O\n0.789399 0.526162 0.579232 O\n0.554064 0.690493 0.527998 O\n0.690493 0.554064 0.027998 O\n0.184078 0.483392 0.572493 O\n0.483392 0.184078 0.072493 O\n0.289537 0.385643 0.413097 O\n0.385643 0.289537 0.913097 O\n0.967145 0.123535 0.003235 O\n0.123535 0.967145 0.503235 O\n0.191077 0.255109 0.168873 O\n0.255109 0.191077 0.668873 O\n0.903864 0.248284 0.166388 O\n0.248284 0.903864 0.666388 O\n0.850419 0.824351 0.182267 O\n0.824351 0.850419 0.682267 O\n0.139824 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