{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=76","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=74","results":[{"id":"mp-12776","created_at":"2022-09-04T14:47:14.330185Z","structure_string":"Tl1 Fe1 S2\n1.0\n-1.847839 1.847839 6.253389\n1.847839 -1.847839 6.253389\n1.847839 1.847839 -6.253389\nTl Fe S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Fe\n0.665244 0.665244 0.000000 S\n0.334756 0.334756 0.000000 S\n","nsites":4,"nelements":3,"elements":["Tl","Fe","S"],"chemical_system":"Fe-S-Tl","density":6.30623888894674,"density_atomic":0.04683346566873404,"volume":85.40901133162124,"volume_molar":12.858627210286453,"formula_full":"Tl1 Fe1 S2","formula_reduced":"TlFeS2","formula_anonymous":"ABC2","energy":-21.07256181,"energy_per_atom":-5.2681404525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.06656181,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015579,"is_theoretical":false,"updated_at":"2021-11-28T01:37:56.821000Z","spacegroup":119},{"id":"mp-1662514","created_at":"2022-09-04T14:47:14.387653Z","structure_string":"Li8 V6 Sn6 Te4 O32\n1.0\n3.141743 5.412977 0.017349\n-9.504556 5.459381 0.025109\n-0.006172 0.036255 10.132597\nLi V Sn Te O\n8 6 6 4 32\ndirect\n0.502532 0.168353 0.904313 Li\n0.002561 0.668362 0.904283 Li\n0.989316 0.002956 0.988095 Li\n0.489264 0.502936 0.988068 Li\n0.994051 0.999584 0.497956 Li\n0.493885 0.499486 0.497959 Li\n0.500108 0.833235 0.399701 Li\n0.000072 0.333232 0.399675 Li\n0.250707 0.585088 0.212349 V\n0.747561 0.912599 0.714694 V\n0.247422 0.412465 0.714647 V\n0.750588 0.085161 0.212400 V\n0.502760 0.668952 0.712223 V\n0.002897 0.168917 0.712255 V\n0.250793 0.913585 0.713470 Sn\n0.750724 0.413553 0.713511 Sn\n0.499443 0.333013 0.214859 Sn\n0.999497 0.833023 0.214882 Sn\n0.249079 0.085596 0.212894 Sn\n0.749061 0.585573 0.212895 Sn\n0.510103 0.155825 0.497253 Te\n0.010114 0.655787 0.497218 Te\n0.507118 0.832006 0.978387 Te\n0.007003 0.331903 0.978552 Te\n0.264650 0.243078 0.330554 O\n0.764710 0.743057 0.330582 O\n0.497590 0.168639 0.104507 O\n0.997607 0.668606 0.104529 O\n0.000751 0.999776 0.317580 O\n0.500776 0.499752 0.317549 O\n0.994365 0.994316 0.806732 O\n0.494303 0.494230 0.806644 O\n0.226225 0.927212 0.097725 O\n0.726233 0.427201 0.097749 O\n0.751532 0.072374 0.595889 O\n0.251434 0.572214 0.595831 O\n0.504807 0.841758 0.608606 O\n0.004729 0.341679 0.608562 O\n0.727697 0.767629 0.844560 O\n0.227668 0.267547 0.844543 O\n0.501934 0.340117 0.601847 O\n0.001894 0.840348 0.601841 O\n0.249605 0.075270 0.595116 O\n0.749479 0.575111 0.595049 O\n0.732030 0.239049 0.326367 O\n0.231939 0.739016 0.326376 O\n0.502886 0.019472 0.336105 O\n0.002830 0.519528 0.336281 O\n0.499194 0.979911 0.844262 O\n0.999141 0.479843 0.844175 O\n0.280768 0.761974 0.847213 O\n0.780691 0.261917 0.847238 O\n0.769554 0.929361 0.105342 O\n0.269480 0.429368 0.105409 O\n0.493546 0.649865 0.099206 O\n0.993588 0.149897 0.099165 O\n","nsites":56,"nelements":5,"elements":["Li","V","Sn","Te","O"],"chemical_system":"Li-O-Sn-Te-V","density":5.006842789006721,"density_atomic":0.08056554700244085,"volume":695.0862010321036,"volume_molar":7.474833826694617,"formula_full":"Li8 V6 Sn6 Te4 O32","formula_reduced":"Li4V3Sn3(TeO8)2","formula_anonymous":"A2B3C3D4E16","energy":-382.2737681,"energy_per_atom":-6.826317287499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.0897681,"band_gap":1.0821000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.999999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.830000Z","spacegroup":1},{"id":"mp-862752","created_at":"2022-09-04T14:47:14.402492Z","structure_string":"Sm1 Bi1 Pd2\n1.0\n0.000000 3.512146 3.512146\n3.512146 0.000000 3.512146\n3.512146 3.512146 0.000000\nSm Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n","nsites":4,"nelements":3,"elements":["Sm","Bi","Pd"],"chemical_system":"Bi-Pd-Sm","density":10.965650379990812,"density_atomic":0.04616494387859005,"volume":86.64583261532097,"volume_molar":13.044835006921545,"formula_full":"Sm1 Bi1 Pd2","formula_reduced":"SmBiPd2","formula_anonymous":"ABC2","energy":-21.87005573,"energy_per_atom":-5.4675139325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.87005573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000726,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.503000Z","spacegroup":225},{"id":"mp-764274","created_at":"2022-09-04T14:47:14.491459Z","structure_string":"V4 O4 F12\n1.0\n8.769181 0.000000 0.000000\n0.000000 8.769181 0.000000\n0.000000 0.000000 4.026689\nV O F\n4 4 12\ndirect\n0.872638 0.627362 0.185238 V\n0.372638 0.872638 0.814762 V\n0.627362 0.127362 0.814762 V\n0.127362 0.372638 0.185238 V\n0.880033 0.619967 0.784116 O\n0.380033 0.880033 0.215884 O\n0.619967 0.119967 0.215884 O\n0.119967 0.380033 0.784116 O\n0.094313 0.594313 0.269088 F\n0.677824 0.603983 0.269370 F\n0.396017 0.677824 0.730630 F\n0.896017 0.822176 0.269370 F\n0.177824 0.896017 0.730630 F\n0.594313 0.905687 0.730912 F\n0.405687 0.094313 0.730912 F\n0.822176 0.103983 0.730630 F\n0.103983 0.177824 0.269370 F\n0.603983 0.322176 0.730630 F\n0.322176 0.396017 0.269370 F\n0.905687 0.405687 0.269088 F\n","nsites":20,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":2.658525261845046,"density_atomic":0.06458978500314103,"volume":309.6464866546218,"volume_molar":9.32367364236797,"formula_full":"V4 O4 F12","formula_reduced":"VOF3","formula_anonymous":"ABC3","energy":-133.12053216,"energy_per_atom":-6.656026608,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.02853216,"band_gap":3.4012,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003169,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.298000Z","spacegroup":113},{"id":"mp-1188138","created_at":"2022-09-04T14:47:14.036005Z","structure_string":"Er4 Ge10 Ru6\n1.0\n-2.875558 4.916483 6.229022\n2.875558 -4.916483 6.229022\n2.875558 4.916483 -6.229022\nEr Ge Ru\n4 10 6\ndirect\n0.869501 0.637823 0.231678 Er\n0.130499 0.362177 0.768322 Er\n0.406145 0.137823 0.268322 Er\n0.593855 0.862177 0.731678 Er\n0.500000 0.750000 0.250000 Ge\n0.500000 0.250000 0.750000 Ge\n0.207924 0.957924 0.750000 Ge\n0.792076 0.542076 0.750000 Ge\n0.792076 0.042076 0.250000 Ge\n0.207924 0.457924 0.250000 Ge\n0.086242 0.911322 0.174920 Ge\n0.913758 0.088678 0.825080 Ge\n0.736402 0.411322 0.325080 Ge\n0.263598 0.588678 0.674920 Ge\n0.000000 0.750000 0.750000 Ru\n0.000000 0.250000 0.250000 Ru\n0.260146 0.852738 0.407409 Ru\n0.739854 0.147262 0.592591 Ru\n0.445329 0.352738 0.092591 Ru\n0.554671 0.647262 0.907409 Ru\n","nsites":20,"nelements":3,"elements":["Er","Ge","Ru"],"chemical_system":"Er-Ge-Ru","density":9.43681414607026,"density_atomic":0.05677713395292518,"volume":352.2544835845768,"volume_molar":10.606630417437154,"formula_full":"Er4 Ge10 Ru6","formula_reduced":"Er2Ge5Ru3","formula_anonymous":"A2B3C5","energy":-132.62253962,"energy_per_atom":-6.6311269809999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.62253962,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009694,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.972000Z","spacegroup":72},{"id":"mp-753930","created_at":"2022-09-04T14:47:14.038629Z","structure_string":"Li4 V2 Fe2 O10\n1.0\n6.645914 0.000000 0.000000\n0.000000 6.645914 0.000000\n0.000000 0.000000 4.638261\nLi V Fe O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.500000 0.126998 V\n0.500000 0.000000 0.873002 V\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.272800 0.754865 O\n0.000000 0.500000 0.767239 O\n0.272800 0.500000 0.245135 O\n0.727200 0.500000 0.245135 O\n0.500000 0.727200 0.754865 O\n0.000000 0.772800 0.245135 O\n0.772800 0.000000 0.754865 O\n0.227200 0.000000 0.754865 O\n0.500000 0.000000 0.232761 O\n0.000000 0.227200 0.245135 O\n","nsites":18,"nelements":4,"elements":["Li","V","Fe","O"],"chemical_system":"Fe-Li-O-V","density":3.2530233999934883,"density_atomic":0.08786337629235748,"volume":204.86351378197236,"volume_molar":6.853982869906876,"formula_full":"Li4 V2 Fe2 O10","formula_reduced":"Li2VFeO5","formula_anonymous":"ABC2D5","energy":-131.50517153,"energy_per_atom":-7.305842862777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.72317153,"band_gap":1.6432000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0002521,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.534000Z","spacegroup":129},{"id":"mp-1093579","created_at":"2022-09-04T14:47:14.044244Z","structure_string":"Mg2 Ir1 Pd1\n1.0\n-4.983117 5.466654 7.817026\n4.983117 -5.466654 7.817026\n4.983117 5.466654 -7.817026\nMg Ir Pd\n2 1 1\ndirect\n0.000000 0.248353 0.248353 Mg\n0.000000 0.751647 0.751647 Mg\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Mg","Ir","Pd"],"chemical_system":"Ir-Mg-Pd","density":0.6769605811626516,"density_atomic":0.004696083087994115,"volume":851.7736856543909,"volume_molar":128.23752576686837,"formula_full":"Mg2 Ir1 Pd1","formula_reduced":"Mg2IrPd","formula_anonymous":"ABC2","energy":-9.30966434,"energy_per_atom":-2.327416085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.30966434,"band_gap":0.4329999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3485039,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.832000Z","spacegroup":71},{"id":"mp-1229024","created_at":"2022-09-04T14:47:14.058568Z","structure_string":"B40 H44 C8\n1.0\n7.530097 0.000000 -0.084352\n0.000000 10.105646 0.000000\n-0.064655 0.000000 12.859486\nB H C\n40 44 8\ndirect\n0.520634 0.216720 0.720773 B\n0.020634 0.283280 0.220773 B\n0.479366 0.783280 0.279227 B\n0.979366 0.716720 0.779227 B\n0.314407 0.280187 0.673272 B\n0.814407 0.219813 0.173272 B\n0.685593 0.719813 0.326728 B\n0.185593 0.780187 0.826728 B\n0.458895 0.382362 0.748815 B\n0.958895 0.117638 0.248815 B\n0.541105 0.617638 0.251185 B\n0.041105 0.882362 0.751185 B\n0.563991 0.284029 0.505554 B\n0.063991 0.215971 0.005554 B\n0.436009 0.715971 0.494446 B\n0.936009 0.784029 0.994446 B\n0.341271 0.321812 0.540120 B\n0.841271 0.178188 0.040120 B\n0.658729 0.678188 0.459880 B\n0.158729 0.821812 0.959880 B\n0.674814 0.219367 0.617444 B\n0.174814 0.280633 0.117444 B\n0.325186 0.780633 0.382556 B\n0.825186 0.719367 0.882556 B\n0.447911 0.179092 0.592033 B\n0.947911 0.320908 0.092033 B\n0.552089 0.820908 0.407967 B\n0.052089 0.679092 0.907967 B\n0.680226 0.344944 0.713906 B\n0.180226 0.155056 0.213906 B\n0.319774 0.655056 0.286094 B\n0.819774 0.844944 0.786094 B\n0.708531 0.385446 0.581494 B\n0.208531 0.114554 0.081494 B\n0.291469 0.614554 0.418506 B\n0.791469 0.885446 0.918506 B\n0.346791 0.446767 0.637788 B\n0.846791 0.053233 0.137788 B\n0.653209 0.553233 0.362212 B\n0.153209 0.946767 0.862212 B\n0.402917 0.071143 0.565454 H\n0.902917 0.428857 0.065454 H\n0.597083 0.928857 0.434546 H\n0.097083 0.571143 0.934546 H\n0.428292 0.431611 0.830594 H\n0.928292 0.068389 0.330594 H\n0.571708 0.568389 0.169406 H\n0.071708 0.931611 0.669406 H\n0.603035 0.262478 0.417874 H\n0.103035 0.237522 0.917874 H\n0.396965 0.737522 0.582126 H\n0.896965 0.762478 0.082126 H\n0.609940 0.575245 0.675913 H\n0.109940 0.924755 0.175913 H\n0.390060 0.424755 0.324087 H\n0.890060 0.075245 0.824087 H\n0.794514 0.143102 0.609454 H\n0.294514 0.356898 0.109454 H\n0.205486 0.856898 0.390546 H\n0.705486 0.643102 0.890546 H\n0.800751 0.368799 0.771528 H\n0.300751 0.131201 0.271528 H\n0.199249 0.631201 0.228472 H\n0.699249 0.868799 0.728472 H\n0.837523 0.438508 0.550826 H\n0.337523 0.061492 0.050826 H\n0.162477 0.561492 0.449174 H\n0.662477 0.938508 0.949174 H\n0.173777 0.246650 0.705206 H\n0.673777 0.253350 0.205206 H\n0.826223 0.753350 0.294794 H\n0.326223 0.746650 0.794794 H\n0.529319 0.136039 0.788202 H\n0.029319 0.363961 0.288202 H\n0.470681 0.863961 0.211798 H\n0.970681 0.636039 0.711798 H\n0.248748 0.538077 0.641246 H\n0.748748 0.961923 0.141246 H\n0.751252 0.461923 0.358754 H\n0.251252 0.038077 0.858754 H\n0.226045 0.325191 0.475763 H\n0.726045 0.174809 0.975763 H\n0.773955 0.674809 0.524237 H\n0.273955 0.825191 0.024237 H\n0.501858 0.442308 0.538890 C\n0.001858 0.057692 0.038890 C\n0.498142 0.557692 0.461110 C\n0.998142 0.942308 0.961110 C\n0.569315 0.474163 0.659711 C\n0.069315 0.025837 0.159711 C\n0.430685 0.525837 0.340289 C\n0.930685 0.974163 0.840289 C\n","nsites":92,"nelements":3,"elements":["B","H","C"],"chemical_system":"B-C-H","density":0.9721765398377997,"density_atomic":0.09402081827797992,"volume":978.5066933580049,"volume_molar":6.405114176091372,"formula_full":"B40 H44 C8","formula_reduced":"B10H11C2","formula_anonymous":"A2B10C11","energy":-509.02418801,"energy_per_atom":-5.5328716088043475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-501.14818801,"band_gap":5.749499999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.56e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.970000Z","spacegroup":14},{"id":"mp-1022978","created_at":"2022-09-04T14:47:14.058871Z","structure_string":"Mg12 Mn2 Sn2\n1.0\n4.964773 0.000000 0.000000\n0.000000 6.346632 0.000000\n0.000000 0.000000 10.862485\nMg Mn Sn\n12 2 2\ndirect\n0.000000 0.744703 0.581856 Mg\n0.000000 0.255297 0.581856 Mg\n0.000000 0.000000 0.333519 Mg\n0.500000 0.744672 0.414268 Mg\n0.500000 0.255328 0.414268 Mg\n0.500000 0.000000 0.167858 Mg\n0.000000 0.244703 0.081856 Mg\n0.000000 0.755297 0.081856 Mg\n0.000000 0.500000 0.833519 Mg\n0.500000 0.244672 0.914268 Mg\n0.500000 0.755328 0.914268 Mg\n0.500000 0.500000 0.667858 Mg\n0.000000 0.000000 0.833928 Mn\n0.000000 0.500000 0.333928 Mn\n0.500000 0.000000 0.672448 Sn\n0.500000 0.500000 0.172448 Sn\n","nsites":16,"nelements":3,"elements":["Mg","Mn","Sn"],"chemical_system":"Mg-Mn-Sn","density":3.0999037395143185,"density_atomic":0.04674639014585653,"volume":342.2724182568394,"volume_molar":12.882579256301755,"formula_full":"Mg12 Mn2 Sn2","formula_reduced":"Mg6MnSn","formula_anonymous":"ABC6","energy":-44.75505399,"energy_per_atom":-2.797190874375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.75505399,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.8945507,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.225000Z","spacegroup":38},{"id":"mp-707929","created_at":"2022-09-04T14:47:14.102830Z","structure_string":"Li8 B8 H16 C32 O72\n1.0\n5.655964 0.000000 0.000000\n0.000000 16.077508 0.000000\n0.000000 0.000000 16.267432\nLi B H C O\n8 8 16 32 72\ndirect\n0.376816 0.751761 0.154428 Li\n0.623184 0.748239 0.654428 Li\n0.123184 0.251761 0.845572 Li\n0.876816 0.248239 0.345572 Li\n0.623184 0.248239 0.845572 Li\n0.376816 0.251761 0.345572 Li\n0.876816 0.748239 0.154428 Li\n0.123184 0.751761 0.654428 Li\n0.280843 0.557494 0.910216 B\n0.719157 0.942506 0.410216 B\n0.219157 0.057494 0.089784 B\n0.780843 0.442506 0.589784 B\n0.719157 0.442506 0.089784 B\n0.280843 0.057494 0.589784 B\n0.780843 0.942506 0.910216 B\n0.219157 0.557494 0.410216 B\n0.632907 0.771581 0.290751 H\n0.367093 0.728419 0.790751 H\n0.867093 0.271581 0.709249 H\n0.132907 0.228419 0.209249 H\n0.367093 0.228419 0.709249 H\n0.632907 0.271581 0.209249 H\n0.132907 0.728419 0.290751 H\n0.867093 0.771581 0.790751 H\n0.663549 0.854204 0.238057 H\n0.336451 0.645796 0.738057 H\n0.836451 0.354204 0.761943 H\n0.163549 0.145796 0.261943 H\n0.336451 0.145796 0.761943 H\n0.663549 0.354204 0.261943 H\n0.163549 0.645796 0.238057 H\n0.836451 0.854204 0.738057 H\n0.146923 0.654350 0.003942 C\n0.853077 0.845650 0.503942 C\n0.353077 0.154350 0.996058 C\n0.646923 0.345650 0.496058 C\n0.853077 0.345650 0.996058 C\n0.146923 0.154350 0.496058 C\n0.646923 0.845650 0.003942 C\n0.353077 0.654350 0.503942 C\n0.019610 0.667248 0.920813 C\n0.980390 0.832752 0.420813 C\n0.480390 0.167248 0.079187 C\n0.519610 0.332752 0.579187 C\n0.980390 0.332752 0.079187 C\n0.019610 0.167248 0.579187 C\n0.519610 0.832752 0.920813 C\n0.480390 0.667248 0.420813 C\n0.375369 0.425879 0.866879 C\n0.624631 0.074121 0.366879 C\n0.124631 0.925879 0.133121 C\n0.875369 0.574121 0.633121 C\n0.624631 0.574121 0.133121 C\n0.375369 0.925879 0.633121 C\n0.875369 0.074121 0.866879 C\n0.124631 0.425879 0.366879 C\n0.568735 0.486897 0.838062 C\n0.431265 0.013103 0.338062 C\n0.931265 0.986897 0.161938 C\n0.068735 0.513103 0.661938 C\n0.431265 0.513103 0.161938 C\n0.568735 0.986897 0.661938 C\n0.068735 0.013103 0.838062 C\n0.931265 0.486897 0.338062 C\n0.511144 0.561956 0.866809 O\n0.488856 0.938044 0.366809 O\n0.988856 0.061956 0.133191 O\n0.011144 0.438044 0.633191 O\n0.488856 0.438044 0.133191 O\n0.511144 0.061956 0.633191 O\n0.011144 0.938044 0.866809 O\n0.988856 0.561956 0.366809 O\n0.122124 0.696025 0.065997 O\n0.877876 0.803975 0.565997 O\n0.377876 0.196025 0.934003 O\n0.622124 0.303975 0.434003 O\n0.877876 0.303975 0.934003 O\n0.122124 0.196025 0.434003 O\n0.622124 0.803975 0.065997 O\n0.377876 0.696025 0.565997 O\n0.370233 0.351286 0.852423 O\n0.629767 0.148714 0.352423 O\n0.129767 0.851286 0.147577 O\n0.870233 0.648714 0.647577 O\n0.629767 0.648714 0.147577 O\n0.370233 0.851286 0.647577 O\n0.870233 0.148714 0.852423 O\n0.129767 0.351286 0.352423 O\n0.295075 0.590692 0.995669 O\n0.704925 0.909308 0.495669 O\n0.204925 0.090692 0.004331 O\n0.795075 0.409308 0.504331 O\n0.704925 0.409308 0.004331 O\n0.295075 0.090692 0.504331 O\n0.795075 0.909308 0.995669 O\n0.204925 0.590692 0.495669 O\n0.879435 0.722154 0.903896 O\n0.120565 0.777846 0.403896 O\n0.620565 0.222154 0.096104 O\n0.379435 0.277846 0.596104 O\n0.120565 0.277846 0.096104 O\n0.879435 0.222154 0.596104 O\n0.379435 0.777846 0.903896 O\n0.620565 0.722154 0.403896 O\n0.741163 0.469521 0.796787 O\n0.258837 0.030479 0.296787 O\n0.758837 0.969521 0.203213 O\n0.241163 0.530479 0.703213 O\n0.258837 0.530479 0.203213 O\n0.741163 0.969521 0.703213 O\n0.241163 0.030479 0.796787 O\n0.758837 0.469521 0.296787 O\n0.215128 0.467777 0.909478 O\n0.784872 0.032223 0.409478 O\n0.284872 0.967777 0.090522 O\n0.715128 0.532223 0.590522 O\n0.784872 0.532223 0.090522 O\n0.215128 0.967777 0.590522 O\n0.715128 0.032223 0.909478 O\n0.284872 0.467777 0.409478 O\n0.099491 0.609580 0.869279 O\n0.900509 0.890420 0.369279 O\n0.400509 0.109580 0.130721 O\n0.599491 0.390420 0.630721 O\n0.900509 0.390420 0.130721 O\n0.099491 0.109580 0.630721 O\n0.599491 0.890420 0.869279 O\n0.400509 0.609580 0.369279 O\n0.627285 0.794464 0.234749 O\n0.372715 0.705536 0.734749 O\n0.872715 0.294464 0.765251 O\n0.127285 0.205536 0.265251 O\n0.372715 0.205536 0.765251 O\n0.627285 0.294464 0.265251 O\n0.127285 0.705536 0.234749 O\n0.872715 0.794464 0.734749 O\n","nsites":136,"nelements":5,"elements":["Li","B","H","C","O"],"chemical_system":"B-C-H-Li-O","density":1.9020918985418895,"density_atomic":0.09193789108674136,"volume":1479.259513051991,"volume_molar":6.550227211888344,"formula_full":"Li8 B8 H16 C32 O72","formula_reduced":"LiBH2C4O9","formula_anonymous":"ABC2D4E9","energy":-1013.52789491,"energy_per_atom":-7.452410991985294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-961.19989491,"band_gap":3.351,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1581326,"is_theoretical":false,"updated_at":"2021-11-28T01:37:55.865000Z","spacegroup":61},{"id":"mp-1225925","created_at":"2022-09-04T14:47:14.106199Z","structure_string":"Fe8 Te16 Br4 Cl4 O40\n1.0\n0.000000 -6.684309 0.000000\n-12.835725 0.000000 4.167040\n-0.015298 0.000000 -14.492271\nFe Te Br Cl O\n8 16 4 4 40\ndirect\n0.501975 0.881920 0.523303 Fe\n0.001975 0.118080 0.976697 Fe\n0.498025 0.118080 0.476697 Fe\n0.998025 0.881920 0.023303 Fe\n0.792540 0.062836 0.642733 Fe\n0.292540 0.937164 0.857267 Fe\n0.207459 0.937164 0.357267 Fe\n0.707460 0.062836 0.142733 Fe\n0.308280 0.109303 0.714310 Te\n0.808280 0.890697 0.785690 Te\n0.691720 0.890697 0.285690 Te\n0.191720 0.109303 0.214310 Te\n0.796356 0.282610 0.857667 Te\n0.296356 0.717390 0.642333 Te\n0.203644 0.717390 0.142333 Te\n0.703644 0.282610 0.357667 Te\n0.985213 0.800411 0.480711 Te\n0.485212 0.199589 0.019289 Te\n0.014788 0.199589 0.519289 Te\n0.514787 0.800411 0.980711 Te\n0.966300 0.364856 0.140340 Te\n0.466300 0.635144 0.359660 Te\n0.033700 0.635144 0.859660 Te\n0.533700 0.364856 0.640340 Te\n0.220347 0.437353 0.044587 Br\n0.720347 0.562647 0.455413 Br\n0.779653 0.562647 0.955413 Br\n0.279653 0.437353 0.544587 Br\n0.141846 0.382321 0.778909 Cl\n0.641846 0.617679 0.721091 Cl\n0.858154 0.617679 0.221091 Cl\n0.358154 0.382321 0.278909 Cl\n0.053042 0.785322 0.607833 O\n0.553042 0.214678 0.892167 O\n0.946958 0.214678 0.392167 O\n0.446958 0.785322 0.107833 O\n0.215598 0.886998 0.480828 O\n0.715599 0.113002 0.019172 O\n0.784401 0.113002 0.519172 O\n0.284401 0.886998 0.980828 O\n0.486969 0.037088 0.602903 O\n0.986969 0.962912 0.897097 O\n0.513031 0.962912 0.397097 O\n0.013031 0.037088 0.102903 O\n0.987351 0.187303 0.877666 O\n0.487351 0.812697 0.622334 O\n0.012649 0.812697 0.122334 O\n0.512649 0.187303 0.377666 O\n0.800225 0.910242 0.552092 O\n0.300225 0.089758 0.947908 O\n0.199775 0.089758 0.447908 O\n0.699775 0.910242 0.052092 O\n0.730176 0.212814 0.724931 O\n0.230176 0.787186 0.775069 O\n0.269824 0.787186 0.275069 O\n0.769824 0.212814 0.224931 O\n0.091641 0.230395 0.092259 O\n0.591641 0.769605 0.407741 O\n0.908359 0.769605 0.907741 O\n0.408359 0.230395 0.592259 O\n0.253669 0.986994 0.746342 O\n0.753669 0.013006 0.753658 O\n0.746331 0.013006 0.253658 O\n0.246331 0.986994 0.246342 O\n0.760909 0.337376 0.048102 O\n0.260909 0.662624 0.451898 O\n0.239091 0.662624 0.951898 O\n0.739091 0.337376 0.548102 O\n0.075973 0.098950 0.636601 O\n0.575973 0.901050 0.863399 O\n0.924027 0.901050 0.363399 O\n0.424027 0.098950 0.136601 O\n","nsites":72,"nelements":5,"elements":["Fe","Te","Br","Cl","O"],"chemical_system":"Br-Cl-Fe-O-Te","density":4.792397384611662,"density_atomic":0.05788557125017639,"volume":1243.833280815737,"volume_molar":10.403526526451355,"formula_full":"Fe8 Te16 Br4 Cl4 O40","formula_reduced":"Fe2Te4BrClO10","formula_anonymous":"ABC2D4E10","energy":-435.99995344,"energy_per_atom":-6.055554908888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.87995344,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0024457,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.687000Z","spacegroup":14},{"id":"mp-24599","created_at":"2022-09-04T14:47:10.758202Z","structure_string":"H16 W6 Se2 N4 O24\n1.0\n3.673768 -6.363153 0.000000\n3.673768 6.363153 0.000000\n0.000000 0.000000 12.594302\nH W Se N O\n16 6 2 4 24\ndirect\n0.666667 0.333333 0.151564 H\n0.255014 0.511666 0.150292 H\n0.743347 0.255014 0.650292 H\n0.511666 0.256653 0.650292 H\n0.333333 0.666667 0.651564 H\n0.666667 0.333333 0.541290 H\n0.333333 0.666667 0.041290 H\n0.400794 0.819313 0.762216 H\n0.581481 0.400794 0.262216 H\n0.488334 0.743347 0.150292 H\n0.819313 0.418519 0.262216 H\n0.418519 0.599206 0.762216 H\n0.599206 0.180687 0.262216 H\n0.744986 0.488334 0.650292 H\n0.256653 0.744986 0.150292 H\n0.180687 0.581481 0.762216 H\n0.661092 0.825771 0.394043 W\n0.825771 0.164680 0.894043 W\n0.835320 0.661092 0.894043 W\n0.164680 0.338908 0.394043 W\n0.338908 0.174229 0.894043 W\n0.174229 0.835320 0.394043 W\n0.000000 0.000000 0.665116 Se\n0.000000 0.000000 0.165116 Se\n0.666667 0.333333 0.233892 N\n0.333333 0.666667 0.733892 N\n0.666667 0.333333 0.622653 N\n0.333333 0.666667 0.122653 N\n0.791900 0.196590 0.029852 O\n0.208100 0.803410 0.529852 O\n0.803410 0.595310 0.029852 O\n0.595310 0.791900 0.529852 O\n0.540033 0.084622 0.848204 O\n0.455411 0.540033 0.348204 O\n0.404690 0.208100 0.029852 O\n0.915378 0.455411 0.848204 O\n0.544589 0.459967 0.848204 O\n0.459967 0.915378 0.348204 O\n0.249097 0.128702 0.723815 O\n0.120394 0.249097 0.223815 O\n0.128702 0.879606 0.223815 O\n0.871298 0.120394 0.723815 O\n0.879606 0.750903 0.723815 O\n0.750903 0.871298 0.223815 O\n0.084622 0.544589 0.348204 O\n0.873403 0.121968 0.404272 O\n0.751435 0.873403 0.904272 O\n0.121968 0.248565 0.904272 O\n0.878032 0.751435 0.404272 O\n0.248565 0.126597 0.404272 O\n0.126597 0.878032 0.904272 O\n0.196590 0.404690 0.529852 O\n","nsites":52,"nelements":5,"elements":["H","W","Se","N","O"],"chemical_system":"H-N-O-Se-W","density":4.84235196150515,"density_atomic":0.08831107107283369,"volume":588.8276449179685,"volume_molar":6.819236463606356,"formula_full":"H16 W6 Se2 N4 O24","formula_reduced":"H8W3Se(NO6)2","formula_anonymous":"AB2C3D8E12","energy":-367.43975049,"energy_per_atom":-7.066149047884616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.87975049,"band_gap":3.1204,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006641,"is_theoretical":false,"updated_at":"2021-11-28T01:37:57.521000Z","spacegroup":173}]}