{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=89","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=87","results":[{"id":"mp-543051","created_at":"2022-09-04T14:44:49.910169Z","structure_string":"Lu20 Sb12\n1.0\n7.945541 0.000000 0.000000\n0.000000 9.163779 0.000000\n0.000000 0.000000 11.593785\nLu Sb\n20 12\ndirect\n0.194380 0.561899 0.439338 Lu\n0.694380 0.938101 0.060662 Lu\n0.805620 0.061899 0.560662 Lu\n0.305620 0.438101 0.939338 Lu\n0.805620 0.438101 0.560662 Lu\n0.305620 0.061899 0.939338 Lu\n0.194380 0.938101 0.439338 Lu\n0.694380 0.561899 0.060662 Lu\n0.027161 0.750000 0.990321 Lu\n0.527161 0.750000 0.509679 Lu\n0.972839 0.250000 0.009679 Lu\n0.472839 0.250000 0.490321 Lu\n0.186399 0.750000 0.719026 Lu\n0.686399 0.750000 0.780974 Lu\n0.813601 0.250000 0.280974 Lu\n0.313601 0.250000 0.219026 Lu\n0.855265 0.750000 0.284953 Lu\n0.355265 0.750000 0.215047 Lu\n0.144735 0.250000 0.715047 Lu\n0.644735 0.250000 0.784953 Lu\n0.933760 0.496956 0.826403 Sb\n0.433760 0.003044 0.673597 Sb\n0.066240 0.996956 0.173597 Sb\n0.566240 0.503044 0.326403 Sb\n0.066240 0.503044 0.173597 Sb\n0.566240 0.996956 0.326403 Sb\n0.933760 0.003044 0.826403 Sb\n0.433760 0.496956 0.673597 Sb\n0.910274 0.750000 0.541133 Sb\n0.410274 0.750000 0.958867 Sb\n0.089726 0.250000 0.458867 Sb\n0.589726 0.250000 0.041133 Sb\n","nsites":32,"nelements":2,"elements":["Lu","Sb"],"chemical_system":"Lu-Sb","density":9.757705965177584,"density_atomic":0.037907632009804286,"volume":844.1571869148577,"volume_molar":15.88635438489657,"formula_full":"Lu20 Sb12","formula_reduced":"Lu5Sb3","formula_anonymous":"A3B5","energy":-168.49316557,"energy_per_atom":-5.2654114240625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.18916557,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037684,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.043000Z","spacegroup":62},{"id":"mp-978282","created_at":"2022-09-04T14:44:49.776425Z","structure_string":"Mg3 Hg1\n1.0\n4.410621 0.000000 0.000000\n0.000000 4.410621 0.000000\n0.000000 0.000000 4.410621\nMg Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":5.293161498815855,"density_atomic":0.04661876546651414,"volume":85.8023579125699,"volume_molar":12.917846922234894,"formula_full":"Mg3 Hg1","formula_reduced":"Mg3Hg","formula_anonymous":"AB3","energy":-5.63217233,"energy_per_atom":-1.4080430825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63217233,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005231,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.675000Z","spacegroup":221},{"id":"mp-684674","created_at":"2022-09-04T14:44:42.818802Z","structure_string":"Cr15 S24\n1.0\n-8.870417 0.000000 0.000000\n-0.835548 -8.832641 0.000000\n4.019043 3.661421 8.804100\nCr S\n15 24\ndirect\n0.253392 0.248210 0.001886 Cr\n0.747781 0.747380 0.663871 Cr\n0.746608 0.751790 0.998114 Cr\n0.252219 0.252620 0.336129 Cr\n0.000000 0.500000 0.500000 Cr\n0.750062 0.251411 0.998549 Cr\n0.269925 0.260942 0.673916 Cr\n0.488448 0.979945 0.824420 Cr\n0.511552 0.020055 0.175580 Cr\n0.730075 0.739058 0.326084 Cr\n0.500000 0.000000 0.500000 Cr\n0.249938 0.748589 0.001451 Cr\n0.984173 0.484353 0.817594 Cr\n0.015827 0.515647 0.182406 Cr\n0.000000 0.000000 0.500000 Cr\n0.553805 0.709874 0.753733 S\n0.204713 0.531773 0.416020 S\n0.043513 0.221405 0.086583 S\n0.799732 0.460140 0.249962 S\n0.050615 0.213796 0.427970 S\n0.703383 0.038849 0.073990 S\n0.051862 0.207945 0.749378 S\n0.707714 0.033610 0.415776 S\n0.296617 0.961151 0.926010 S\n0.541511 0.718573 0.083647 S\n0.949385 0.786204 0.572030 S\n0.303126 0.961307 0.250072 S\n0.200268 0.539860 0.750038 S\n0.546635 0.716264 0.426398 S\n0.956487 0.778595 0.913417 S\n0.202634 0.535261 0.073989 S\n0.795287 0.468227 0.583980 S\n0.446195 0.290126 0.246267 S\n0.797366 0.464739 0.926011 S\n0.453365 0.283736 0.573602 S\n0.696874 0.038693 0.749928 S\n0.458489 0.281427 0.916353 S\n0.292286 0.966390 0.584224 S\n0.948138 0.792055 0.250622 S\n","nsites":39,"nelements":2,"elements":["Cr","S"],"chemical_system":"Cr-S","density":3.7301089422418574,"density_atomic":0.0565385966528617,"volume":689.794269911827,"volume_molar":10.651379971411423,"formula_full":"Cr15 S24","formula_reduced":"Cr5S8","formula_anonymous":"A5B8","energy":-281.90117247,"energy_per_atom":-7.228235191538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.82917247,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.535000Z","spacegroup":2},{"id":"mp-31472","created_at":"2022-09-04T14:44:58.825924Z","structure_string":"Rb5 Hg19\n1.0\n-6.147603 6.147603 5.478199\n6.147603 -6.147603 5.478199\n6.147603 6.147603 -5.478199\nRb Hg\n5 19\ndirect\n0.500000 0.500000 0.000000 Rb\n0.675888 0.120340 0.796229 Rb\n0.879660 0.675888 0.555548 Rb\n0.120340 0.324112 0.444452 Rb\n0.324112 0.879660 0.203771 Rb\n0.472744 0.654507 0.408178 Hg\n0.246328 0.064566 0.591822 Hg\n0.064566 0.472744 0.818237 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.293373 0.040662 0.906492 Hg\n0.386880 0.293373 0.252711 Hg\n0.040662 0.134170 0.747289 Hg\n0.134170 0.386880 0.093508 Hg\n0.706627 0.959338 0.093508 Hg\n0.613120 0.706627 0.747289 Hg\n0.959338 0.865830 0.252711 Hg\n0.865830 0.613120 0.906492 Hg\n0.000000 0.000000 0.000000 Hg\n0.654507 0.246328 0.181763 Hg\n0.935434 0.527256 0.181763 Hg\n0.753672 0.935434 0.408178 Hg\n0.527256 0.345493 0.591822 Hg\n0.345493 0.753672 0.818237 Hg\n","nsites":24,"nelements":2,"elements":["Rb","Hg"],"chemical_system":"Hg-Rb","density":8.498785775261773,"density_atomic":0.028980229363623718,"volume":828.1507954566104,"volume_molar":20.780169419773646,"formula_full":"Rb5 Hg19","formula_reduced":"Rb5Hg19","formula_anonymous":"A5B19","energy":-15.80915457,"energy_per_atom":-0.65871477375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.80915457,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021443,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.192000Z","spacegroup":87},{"id":"mp-622633","created_at":"2022-09-04T14:44:31.146156Z","structure_string":"Nb6 Co7\n1.0\n10.492017 -2.483432 0.000000\n10.492017 2.483432 0.000000\n9.904196 0.000000 4.261075\nNb Co\n6 7\ndirect\n0.202909 0.202909 0.202909 Nb\n0.116097 0.116097 0.116097 Nb\n0.553821 0.553821 0.553821 Nb\n0.797091 0.797091 0.797091 Nb\n0.446179 0.446179 0.446179 Nb\n0.883903 0.883903 0.883903 Nb\n0.591971 0.122944 0.122944 Co\n0.122944 0.122944 0.591971 Co\n0.877056 0.877056 0.408029 Co\n0.877056 0.408029 0.877056 Co\n0.000000 0.000000 0.000000 Co\n0.122944 0.591971 0.122944 Co\n0.408029 0.877056 0.877056 Co\n","nsites":13,"nelements":2,"elements":["Nb","Co"],"chemical_system":"Co-Nb","density":7.253493997992177,"density_atomic":0.058544071129766305,"volume":222.05493654830994,"volume_molar":10.28650834112916,"formula_full":"Nb6 Co7","formula_reduced":"Nb6Co7","formula_anonymous":"A6B7","energy":-102.18425076,"energy_per_atom":-7.860326981538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.18425076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.6770778,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.597000Z","spacegroup":166},{"id":"mp-1041679","created_at":"2022-09-04T14:44:57.061443Z","structure_string":"W3 O8\n1.0\n5.167734 0.000000 0.000000\n-1.381544 5.276586 0.000000\n-0.511726 -2.399465 6.505745\nW O\n3 8\ndirect\n0.500000 0.000000 0.000000 W\n0.240762 0.531719 0.186773 W\n0.759238 0.468281 0.813227 W\n0.168391 0.701150 0.422068 O\n0.366617 0.258930 0.227059 O\n0.123459 0.703634 0.973685 O\n0.424735 0.229595 0.830464 O\n0.633383 0.741070 0.772941 O\n0.831609 0.298850 0.577932 O\n0.876541 0.296366 0.026315 O\n0.575265 0.770405 0.169536 O\n","nsites":11,"nelements":2,"elements":["W","O"],"chemical_system":"O-W","density":6.360599706351987,"density_atomic":0.06200725081527812,"volume":177.39860831387935,"volume_molar":9.711994453584433,"formula_full":"W3 O8","formula_reduced":"W3O8","formula_anonymous":"A3B8","energy":-100.46610642,"energy_per_atom":-9.133282401818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.65610642,"band_gap":2.7282,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999556,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.304000Z","spacegroup":2},{"id":"mp-655448","created_at":"2022-09-04T14:44:56.558168Z","structure_string":"Dy6 Ge8\n1.0\n2.030069 -5.361365 0.000000\n2.030069 5.361365 0.000000\n0.000000 0.000000 14.349473\nDy Ge\n6 8\ndirect\n0.838283 0.161717 0.596617 Dy\n0.161717 0.838283 0.403383 Dy\n0.838283 0.161717 0.903383 Dy\n0.161717 0.838283 0.096617 Dy\n0.555534 0.444466 0.750000 Dy\n0.444466 0.555534 0.250000 Dy\n0.284496 0.715504 0.750000 Ge\n0.715504 0.284496 0.250000 Ge\n0.129328 0.870672 0.609403 Ge\n0.500000 0.500000 0.500000 Ge\n0.129328 0.870672 0.890597 Ge\n0.870672 0.129328 0.390597 Ge\n0.500000 0.500000 0.000000 Ge\n0.870672 0.129328 0.109403 Ge\n","nsites":14,"nelements":2,"elements":["Dy","Ge"],"chemical_system":"Dy-Ge","density":8.272562569495214,"density_atomic":0.04482041922170087,"volume":312.3576317024176,"volume_molar":13.436154468372838,"formula_full":"Dy6 Ge8","formula_reduced":"Dy3Ge4","formula_anonymous":"A3B4","energy":-75.56170371,"energy_per_atom":-5.397264550714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.56170371,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002832,"is_theoretical":false,"updated_at":"2021-11-28T01:36:43.430000Z","spacegroup":63},{"id":"mp-24202","created_at":"2022-09-04T14:44:56.531070Z","structure_string":"Th8 H30\n1.0\n-4.562704 4.562704 4.562704\n4.562704 -4.562704 4.562704\n4.562704 4.562704 -4.562704\nTh H\n8 30\ndirect\n0.915836 0.915836 0.915836 Th\n0.500000 0.000000 0.084164 Th\n0.000000 0.084164 0.500000 Th\n0.084164 0.500000 0.000000 Th\n0.000000 0.584164 0.500000 Th\n0.584164 0.500000 0.000000 Th\n0.500000 0.000000 0.584164 Th\n0.415836 0.415836 0.415836 Th\n0.653037 0.969677 0.373641 H\n0.220604 0.316640 0.846963 H\n0.183360 0.403964 0.530323 H\n0.096036 0.279396 0.126359 H\n0.279396 0.126359 0.096036 H\n0.126359 0.096036 0.279396 H\n0.469677 0.153037 0.873641 H\n0.720604 0.346963 0.816640 H\n0.625000 0.375000 0.250000 H\n0.250000 0.625000 0.375000 H\n0.750000 0.875000 0.125000 H\n0.125000 0.750000 0.875000 H\n0.375000 0.250000 0.625000 H\n0.875000 0.125000 0.750000 H\n0.779396 0.596036 0.626359 H\n0.316640 0.846963 0.220604 H\n0.373641 0.653037 0.969677 H\n0.969677 0.373641 0.653037 H\n0.530323 0.183360 0.403964 H\n0.403964 0.530323 0.183360 H\n0.846963 0.220604 0.316640 H\n0.903964 0.683360 0.030323 H\n0.816640 0.720604 0.346963 H\n0.153037 0.873641 0.469677 H\n0.683360 0.030323 0.903964 H\n0.346963 0.816640 0.720604 H\n0.873641 0.469677 0.153037 H\n0.626359 0.779396 0.596036 H\n0.596036 0.626359 0.779396 H\n0.030323 0.903964 0.683360 H\n","nsites":38,"nelements":2,"elements":["Th","H"],"chemical_system":"H-Th","density":8.244965732021765,"density_atomic":0.1000130609415776,"volume":379.95037490351,"volume_molar":6.021354314430813,"formula_full":"Th8 H30","formula_reduced":"Th4H15","formula_anonymous":"A4B15","energy":-184.00001013,"energy_per_atom":-4.842105529736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.63001013,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0775896,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.098000Z","spacegroup":220},{"id":"mp-568846","created_at":"2022-09-04T14:44:49.764546Z","structure_string":"Ta8 Br40\n1.0\n6.719891 0.000000 0.000000\n0.000000 14.076645 0.000000\n0.000000 0.000000 19.581963\nTa Br\n8 40\ndirect\n0.992520 0.125028 0.142012 Ta\n0.992520 0.125028 0.357988 Ta\n0.507480 0.625028 0.142012 Ta\n0.492520 0.374972 0.857988 Ta\n0.492520 0.374972 0.642012 Ta\n0.507480 0.625028 0.357988 Ta\n0.007480 0.874972 0.642012 Ta\n0.007480 0.874972 0.857988 Ta\n0.221677 0.731465 0.847416 Br\n0.222525 0.203526 0.436103 Br\n0.739111 0.546518 0.435457 Br\n0.702293 0.303905 0.750000 Br\n0.792369 0.018295 0.847758 Br\n0.721677 0.768535 0.347416 Br\n0.215833 0.946533 0.750000 Br\n0.202293 0.196095 0.250000 Br\n0.278323 0.231465 0.847416 Br\n0.222525 0.203526 0.063897 Br\n0.207631 0.981705 0.152242 Br\n0.239111 0.953482 0.564543 Br\n0.722525 0.296474 0.936103 Br\n0.260889 0.453482 0.564543 Br\n0.277475 0.703526 0.063897 Br\n0.722525 0.296474 0.563897 Br\n0.707631 0.518295 0.847758 Br\n0.777475 0.796474 0.936103 Br\n0.707631 0.518295 0.652242 Br\n0.739111 0.546518 0.064543 Br\n0.297707 0.696095 0.250000 Br\n0.777475 0.796474 0.563897 Br\n0.760889 0.046518 0.435457 Br\n0.797707 0.803905 0.750000 Br\n0.260889 0.453482 0.935457 Br\n0.721677 0.768535 0.152584 Br\n0.760889 0.046518 0.064543 Br\n0.292369 0.481705 0.152242 Br\n0.778323 0.268535 0.347416 Br\n0.239111 0.953482 0.935457 Br\n0.284167 0.446533 0.750000 Br\n0.715833 0.553467 0.250000 Br\n0.278323 0.231465 0.652584 Br\n0.207631 0.981705 0.347758 Br\n0.792369 0.018295 0.652242 Br\n0.292369 0.481705 0.347758 Br\n0.784167 0.053467 0.250000 Br\n0.778323 0.268535 0.152584 Br\n0.277475 0.703526 0.436103 Br\n0.221677 0.731465 0.652584 Br\n","nsites":48,"nelements":2,"elements":["Ta","Br"],"chemical_system":"Br-Ta","density":4.162935338037317,"density_atomic":0.025913353816341213,"volume":1852.3268095745573,"volume_molar":23.23952662662438,"formula_full":"Ta8 Br40","formula_reduced":"TaBr5","formula_anonymous":"AB5","energy":-226.95431794,"energy_per_atom":-4.728214957083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.59431794,"band_gap":1.9727,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0327721,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.611000Z","spacegroup":62},{"id":"mp-1221111","created_at":"2022-09-04T14:44:50.182296Z","structure_string":"Nb13 Fe13\n1.0\n17.971526 -2.463156 0.000000\n17.971526 2.463156 0.000000\n17.633929 0.000000 4.252932\nNb Fe\n13 13\ndirect\n0.825565 0.825565 0.825565 Nb\n0.326149 0.326149 0.326149 Nb\n0.673851 0.673851 0.673851 Nb\n0.174435 0.174435 0.174435 Nb\n0.773545 0.773545 0.773545 Nb\n0.275494 0.275494 0.275494 Nb\n0.724506 0.724506 0.724506 Nb\n0.226455 0.226455 0.226455 Nb\n0.415546 0.415546 0.415546 Nb\n0.917694 0.917694 0.917694 Nb\n0.082306 0.082306 0.082306 Nb\n0.584454 0.584454 0.584454 Nb\n0.500000 0.500000 0.500000 Nb\n0.203568 0.203568 0.703419 Fe\n0.709998 0.709998 0.198479 Fe\n0.703419 0.203568 0.203568 Fe\n0.198479 0.709998 0.709998 Fe\n0.203568 0.703419 0.203568 Fe\n0.709998 0.198479 0.709998 Fe\n0.290002 0.290002 0.801521 Fe\n0.796432 0.796432 0.296581 Fe\n0.801521 0.290002 0.290002 Fe\n0.296581 0.796432 0.796432 Fe\n0.290002 0.801521 0.290002 Fe\n0.796432 0.296581 0.796432 Fe\n0.000000 0.000000 0.000000 Fe\n","nsites":26,"nelements":2,"elements":["Nb","Fe"],"chemical_system":"Fe-Nb","density":8.52821508981952,"density_atomic":0.06905228270177724,"volume":376.52629258164734,"volume_molar":8.7211320529524,"formula_full":"Nb13 Fe13","formula_reduced":"NbFe","formula_anonymous":"AB","energy":-244.24051192,"energy_per_atom":-9.393865843076922,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-244.24051192,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.015133,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.682000Z","spacegroup":166},{"id":"mp-1016316","created_at":"2022-09-04T14:44:48.977776Z","structure_string":"La1 Mg7\n1.0\n3.377941 -5.850766 0.000000\n3.377941 5.850766 0.000000\n0.000000 0.000000 5.218450\nLa Mg\n1 7\ndirect\n0.666667 0.333333 0.500000 La\n0.162397 0.324795 0.500000 Mg\n0.675205 0.837603 0.500000 Mg\n0.162397 0.837603 0.500000 Mg\n0.838935 0.161065 0.000000 Mg\n0.322131 0.161065 0.000000 Mg\n0.838935 0.677869 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n","nsites":8,"nelements":2,"elements":["La","Mg"],"chemical_system":"La-Mg","density":2.487872628289513,"density_atomic":0.03878409624652247,"volume":206.27011518200092,"volume_molar":15.527345852592783,"formula_full":"La1 Mg7","formula_reduced":"LaMg7","formula_anonymous":"AB7","energy":-15.98280612,"energy_per_atom":-1.997850765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.98280612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052215,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.584000Z","spacegroup":187},{"id":"mp-1179651","created_at":"2022-09-04T14:44:49.727895Z","structure_string":"Si10 O16\n1.0\n7.740410 0.014275 0.057535\n-3.888300 5.494447 -0.782049\n-0.184127 -1.583417 12.005696\nSi O\n10 16\ndirect\n0.706960 0.439673 0.610465 Si\n0.472472 0.225005 0.941272 Si\n0.788990 0.161761 0.413602 Si\n0.119076 0.285475 0.849952 Si\n0.480679 0.841744 0.282415 Si\n0.247420 0.769715 0.054669 Si\n0.631506 0.841346 0.589314 Si\n0.263801 0.563967 0.393461 Si\n0.834901 0.712580 0.143510 Si\n0.651513 0.162995 0.722250 Si\n0.863851 0.444726 0.710252 O\n0.640924 0.478808 0.040401 O\n0.491102 0.188978 0.638174 O\n0.188845 0.531484 0.953375 O\n0.382039 0.629309 0.522211 O\n0.441566 0.851412 0.151936 O\n0.295708 0.813661 0.365818 O\n0.414334 0.561877 0.294341 O\n0.599525 0.152958 0.852237 O\n0.759710 0.377451 0.482681 O\n0.709183 0.686925 0.634225 O\n0.325887 0.001392 0.000428 O\n0.018652 0.313452 0.367177 O\n0.314657 0.256451 0.869213 O\n0.783489 0.000162 0.500869 O\n0.041531 0.706704 0.115753 O\n","nsites":26,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.7754862309071726,"density_atomic":0.051783609973216946,"volume":502.089367918681,"volume_molar":11.629434029637405,"formula_full":"Si10 O16","formula_reduced":"Si5O8","formula_anonymous":"A5B8","energy":-204.081077,"energy_per_atom":-7.8492721923076925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.089077,"band_gap":3.4528,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008565,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.878000Z","spacegroup":1}]}