{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10227","results":[{"id":"mp-1048321","created_at":"2022-09-04T14:41:59.937217Z","structure_string":"Ba2 Y1 Mn3 O7\n1.0\n3.947109 0.000236 -0.000002\n0.000243 4.072385 0.000006\n-0.000008 0.000019 11.853698\nBa Y Mn O\n2 1 3 7\ndirect\n0.500003 0.500001 0.818998 Ba\n0.500000 0.500001 0.181010 Ba\n0.499999 0.500001 0.499998 Y\n0.000003 0.000002 0.654014 Mn\n0.999998 0.999997 0.345993 Mn\n0.000004 0.999998 0.000002 Mn\n0.999996 0.499998 0.000005 O\n0.500001 0.000001 0.619223 O\n0.499992 0.000000 0.380764 O\n0.000006 0.500003 0.620531 O\n0.999997 0.499999 0.379459 O\n0.000004 0.000001 0.833548 O\n0.999997 0.000000 0.166453 O\n","nsites":13,"nelements":4,"elements":["Ba","Y","Mn","O"],"chemical_system":"Ba-Mn-O-Y","density":5.580821396129449,"density_atomic":0.06822782811369422,"volume":190.53808921393363,"volume_molar":8.826516872213432,"formula_full":"Ba2 Y1 Mn3 O7","formula_reduced":"Ba2YMn3O7","formula_anonymous":"AB2C3D7","energy":-106.77969403,"energy_per_atom":-8.213822617692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.96669403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.3294075,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.892000Z","spacegroup":47},{"id":"mp-1185439","created_at":"2022-09-04T14:41:59.947444Z","structure_string":"Li1 Yb1 Tl2\n1.0\n0.000000 3.682731 3.682731\n3.682731 0.000000 3.682731\n3.682731 3.682731 0.000000\nLi Yb Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n","nsites":4,"nelements":3,"elements":["Li","Yb","Tl"],"chemical_system":"Li-Tl-Yb","density":9.786744689067733,"density_atomic":0.04004239108243719,"volume":99.89413448774845,"volume_molar":15.039413474589793,"formula_full":"Li1 Yb1 Tl2","formula_reduced":"LiYbTl2","formula_anonymous":"ABC2","energy":-9.58414615,"energy_per_atom":-2.3960365375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.58414615,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0075525,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.779000Z","spacegroup":225},{"id":"mp-1219642","created_at":"2022-09-04T14:41:59.912766Z","structure_string":"Sb2 P2 N2 O10 F2\n1.0\n6.523469 0.033604 0.000000\n0.023017 6.540056 0.000000\n3.273243 3.286831 7.951262\nSb P N O F\n2 2 2 10 2\ndirect\n0.797100 0.797100 0.405801 Sb\n0.202900 0.202900 0.594199 Sb\n0.750564 0.250564 0.498871 P\n0.249436 0.749436 0.501129 P\n0.284027 0.533549 0.000000 N\n0.715973 0.466451 0.000000 N\n0.874807 0.487668 0.382063 O\n0.743130 0.130269 0.382063 O\n0.487412 0.740556 0.384714 O\n0.127875 0.874730 0.384714 O\n0.125193 0.512332 0.617937 O\n0.256870 0.869731 0.617937 O\n0.512588 0.259444 0.615286 O\n0.872125 0.125270 0.615286 O\n0.656870 0.631346 0.000000 O\n0.343130 0.368654 0.000000 O\n0.916664 0.916664 0.166671 F\n0.083336 0.083336 0.833329 F\n","nsites":18,"nelements":5,"elements":["Sb","P","N","O","F"],"chemical_system":"F-N-O-P-Sb","density":2.6016028868471723,"density_atomic":0.0530620768929886,"volume":339.2253197382563,"volume_molar":11.349236804554366,"formula_full":"Sb2 P2 N2 O10 F2","formula_reduced":"SbPNO5F","formula_anonymous":"ABCDE5","energy":-121.32016769,"energy_per_atom":-6.740009316111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.52616769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0133903,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.364000Z","spacegroup":12},{"id":"mp-1200277","created_at":"2022-09-04T14:41:59.913522Z","structure_string":"Cs4 Mg2 Se4 O28\n1.0\n12.716015 0.000000 0.000000\n0.000000 6.583430 0.000000\n0.000000 0.819159 9.546661\nCs Mg Se O\n4 2 4 28\ndirect\n0.153804 0.812356 0.359980 Cs\n0.653804 0.187644 0.140020 Cs\n0.846196 0.187644 0.640020 Cs\n0.346196 0.812356 0.859980 Cs\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.157423 0.270224 0.619535 Se\n0.657423 0.729776 0.880465 Se\n0.842577 0.729776 0.380465 Se\n0.342577 0.270224 0.119535 Se\n0.203542 0.506331 0.646980 O\n0.703542 0.493669 0.853020 O\n0.796458 0.493669 0.353020 O\n0.296458 0.506331 0.146980 O\n0.087356 0.180829 0.760278 O\n0.587356 0.819171 0.739722 O\n0.912644 0.819171 0.239722 O\n0.412644 0.180829 0.260278 O\n0.261045 0.105058 0.603949 O\n0.761045 0.894942 0.896051 O\n0.738955 0.894942 0.396051 O\n0.238955 0.105058 0.103949 O\n0.083167 0.280433 0.477158 O\n0.583167 0.719567 0.022842 O\n0.916833 0.719567 0.522842 O\n0.416833 0.280433 0.977158 O\n0.883476 0.333230 0.097495 O\n0.383476 0.666770 0.402505 O\n0.116524 0.666770 0.902505 O\n0.616524 0.333230 0.597495 O\n0.134513 0.514104 0.113055 O\n0.634513 0.485896 0.386945 O\n0.865487 0.485896 0.886945 O\n0.365487 0.514104 0.613055 O\n0.102556 0.233284 0.009697 O\n0.602556 0.766716 0.490303 O\n0.897444 0.766716 0.990303 O\n0.397444 0.233284 0.509697 O\n","nsites":38,"nelements":4,"elements":["Cs","Mg","Se","O"],"chemical_system":"Cs-Mg-O-Se","density":2.7926170542728865,"density_atomic":0.04754762641501483,"volume":799.1986743632731,"volume_molar":12.665491874265877,"formula_full":"Cs4 Mg2 Se4 O28","formula_reduced":"Cs2Mg(SeO7)2","formula_anonymous":"AB2C2D14","energy":-184.0656451,"energy_per_atom":-4.843832765789474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.8296451,"band_gap":0.6226999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0038545,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.449000Z","spacegroup":14},{"id":"mp-1445202","created_at":"2022-09-04T14:41:59.915634Z","structure_string":"Mg1 Si2\n1.0\n1.590383 5.010243 0.000000\n-1.590383 5.010243 0.000000\n0.000000 1.078571 3.255958\nMg Si\n1 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.302555 0.302555 0.201638 Si\n0.697445 0.697445 0.798362 Si\n","nsites":3,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.575408797685362,"density_atomic":0.05781652032741447,"volume":51.888283539220716,"volume_molar":10.415951575599273,"formula_full":"Mg1 Si2","formula_reduced":"MgSi2","formula_anonymous":"AB2","energy":-11.73673058,"energy_per_atom":-3.9122435266666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.87873058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.48e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.060000Z","spacegroup":71},{"id":"mp-1044044","created_at":"2022-09-04T14:41:59.957123Z","structure_string":"Ca4 Sn4 Bi4 O20\n1.0\n11.149902 0.000000 0.000000\n0.000000 5.925646 0.000000\n0.000000 2.797466 8.522429\nCa Sn Bi O\n4 4 4 20\ndirect\n0.096199 0.532331 0.831442 Ca\n0.903801 0.467669 0.168558 Ca\n0.596199 0.467669 0.668558 Ca\n0.403801 0.532331 0.331442 Ca\n0.385209 0.119586 0.060717 Sn\n0.614791 0.880414 0.939283 Sn\n0.885209 0.880414 0.439283 Sn\n0.114791 0.119586 0.560717 Sn\n0.898375 0.030061 0.850904 Bi\n0.101625 0.969939 0.149096 Bi\n0.601625 0.030061 0.350904 Bi\n0.398375 0.969939 0.649096 Bi\n0.961423 0.862833 0.648601 O\n0.029054 0.293752 0.686943 O\n0.787361 0.175624 0.324839 O\n0.462702 0.780823 0.487286 O\n0.722767 0.723162 0.492406 O\n0.777233 0.723162 0.992406 O\n0.470946 0.293752 0.186943 O\n0.529054 0.706248 0.813057 O\n0.537298 0.219177 0.512714 O\n0.461423 0.137167 0.851399 O\n0.277233 0.276838 0.507594 O\n0.038577 0.137167 0.351399 O\n0.538577 0.862833 0.148601 O\n0.222767 0.276838 0.007594 O\n0.962702 0.219177 0.012714 O\n0.037298 0.780823 0.987286 O\n0.212639 0.824376 0.675161 O\n0.970946 0.706248 0.313057 O\n0.287361 0.824376 0.175161 O\n0.712639 0.175624 0.824839 O\n","nsites":32,"nelements":4,"elements":["Ca","Sn","Bi","O"],"chemical_system":"Bi-Ca-O-Sn","density":5.281891493016719,"density_atomic":0.05683028489648464,"volume":563.0800559646575,"volume_molar":10.596710488024517,"formula_full":"Ca4 Sn4 Bi4 O20","formula_reduced":"CaSnBiO5","formula_anonymous":"ABCD5","energy":-206.61394554,"energy_per_atom":-6.456685798125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.87394554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007607,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.382000Z","spacegroup":14},{"id":"mp-1173992","created_at":"2022-09-04T14:41:59.962232Z","structure_string":"Li5 Mn1 Co2 O8\n1.0\n2.954816 5.072119 0.000000\n-2.954816 5.072119 0.000000\n0.000000 1.562927 4.717063\nLi Mn Co O\n5 1 2 8\ndirect\n0.250750 0.250750 0.495944 Li\n0.500000 0.000000 0.000000 Li\n0.749250 0.749250 0.504056 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.260003 0.739997 0.500000 Co\n0.739997 0.260003 0.500000 Co\n0.884336 0.884336 0.758706 O\n0.121172 0.658507 0.249770 O\n0.382336 0.382336 0.723145 O\n0.658507 0.121172 0.249770 O\n0.617664 0.617664 0.276855 O\n0.878828 0.341493 0.750230 O\n0.115664 0.115664 0.241294 O\n0.341493 0.878828 0.750230 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.9402708270805196,"density_atomic":0.11316143187780733,"volume":141.3909291752064,"volume_molar":5.321725485501773,"formula_full":"Li5 Mn1 Co2 O8","formula_reduced":"Li5Mn(CoO4)2","formula_anonymous":"AB2C5D8","energy":-102.04473166,"energy_per_atom":-6.37779572875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.60473166,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0163211,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.911000Z","spacegroup":12},{"id":"mp-1403610","created_at":"2022-09-04T14:41:59.979811Z","structure_string":"Ca2 Ti4 O10\n1.0\n3.625990 0.000000 0.000000\n0.000000 5.062225 0.000000\n0.000000 0.000000 11.675498\nCa Ti O\n2 4 10\ndirect\n0.500000 0.139655 0.000000 Ca\n0.000000 0.860345 0.500000 Ca\n0.000000 0.602071 0.848760 Ti\n0.500000 0.397929 0.651240 Ti\n0.500000 0.397929 0.348760 Ti\n0.000000 0.602071 0.151240 Ti\n0.500000 0.549064 0.500000 O\n0.000000 0.450936 0.000000 O\n0.500000 0.462831 0.825741 O\n0.000000 0.537169 0.674259 O\n0.500000 0.462831 0.174259 O\n0.000000 0.537169 0.325741 O\n0.000000 0.934623 0.121827 O\n0.500000 0.065377 0.378173 O\n0.500000 0.065377 0.621827 O\n0.000000 0.934623 0.878173 O\n","nsites":16,"nelements":3,"elements":["Ca","Ti","O"],"chemical_system":"Ca-O-Ti","density":3.3442996652946997,"density_atomic":0.07465802940557795,"volume":214.3105052114406,"volume_molar":8.066300179562557,"formula_full":"Ca2 Ti4 O10","formula_reduced":"CaTi2O5","formula_anonymous":"AB2C5","energy":-141.77546654,"energy_per_atom":-8.86096665875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.90546654,"band_gap":2.9078,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000517,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.557000Z","spacegroup":59},{"id":"mp-1227434","created_at":"2022-09-04T14:41:59.998142Z","structure_string":"Bi4 Te3 S3\n1.0\n20.156935 -2.115423 0.000000\n20.156935 2.115423 0.000000\n19.934927 0.000000 3.657287\nBi Te S\n4 3 3\ndirect\n0.803129 0.803129 0.803129 Bi\n0.305959 0.305959 0.305959 Bi\n0.698400 0.698400 0.698400 Bi\n0.195334 0.195334 0.195334 Bi\n0.892187 0.892187 0.892187 Te\n0.106548 0.106548 0.106548 Te\n0.609201 0.609201 0.609201 Te\n0.002238 0.002238 0.002238 S\n0.499750 0.499750 0.499750 S\n0.387254 0.387254 0.387254 S\n","nsites":10,"nelements":3,"elements":["Bi","Te","S"],"chemical_system":"Bi-S-Te","density":7.000620741099635,"density_atomic":0.032061899229842164,"volume":311.89668236160907,"volume_molar":18.78285723758619,"formula_full":"Bi4 Te3 S3","formula_reduced":"Bi4(TeS)3","formula_anonymous":"A3B3C4","energy":-43.05620964,"energy_per_atom":-4.305620964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.28120964,"band_gap":0.5475999999999992,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001334,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.380000Z","spacegroup":160},{"id":"mp-705906","created_at":"2022-09-04T14:42:00.014066Z","structure_string":"Sr2 La6 Mn8 O24\n1.0\n5.542812 -5.598393 0.000000\n5.542812 5.598393 0.000000\n-0.111720 0.000000 7.877327\nSr La Mn O\n2 6 8 24\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.750000 0.248123 0.251877 La\n0.251877 0.750000 0.248123 La\n0.748123 0.250000 0.751877 La\n0.248123 0.251877 0.750000 La\n0.250000 0.751877 0.748123 La\n0.751877 0.748123 0.250000 La\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.749964 0.034354 0.974199 O\n0.025801 0.250036 0.965646 O\n0.250000 0.530522 0.969478 O\n0.523475 0.750000 0.976525 O\n0.023475 0.476525 0.250000 O\n0.474199 0.534354 0.249964 O\n0.750036 0.525801 0.465646 O\n0.530522 0.969478 0.250000 O\n0.030522 0.750000 0.469478 O\n0.965646 0.025801 0.250036 O\n0.465646 0.750036 0.525801 O\n0.750000 0.976525 0.523475 O\n0.250000 0.023475 0.476525 O\n0.534354 0.249964 0.474199 O\n0.034354 0.974199 0.749964 O\n0.969478 0.250000 0.530522 O\n0.469478 0.030522 0.750000 O\n0.249964 0.474199 0.534354 O\n0.525801 0.465646 0.750036 O\n0.976525 0.523475 0.750000 O\n0.476525 0.250000 0.023475 O\n0.750000 0.469478 0.030522 O\n0.974199 0.749964 0.034354 O\n0.250036 0.965646 0.025801 O\n","nsites":40,"nelements":4,"elements":["Sr","La","Mn","O"],"chemical_system":"La-Mn-O-Sr","density":6.223156938629218,"density_atomic":0.0818196450185436,"volume":488.88014597147674,"volume_molar":7.3602626345239495,"formula_full":"Sr2 La6 Mn8 O24","formula_reduced":"SrLa3Mn4O12","formula_anonymous":"AB3C4D12","energy":-340.64819872,"energy_per_atom":-8.516204968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.81619872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.9998223,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.986000Z","spacegroup":167},{"id":"mp-40201","created_at":"2022-09-04T14:41:59.963966Z","structure_string":"Na8 Be3 Si9 Cl2 O24\n1.0\n7.614898 0.000000 0.000000\n-2.550428 7.175659 0.000000\n-0.028274 -0.028290 12.420093\nNa Be Si Cl O\n8 3 9 2 24\ndirect\n0.171796 0.195786 0.185621 Na\n0.673218 0.698429 0.314904 Na\n0.692178 0.662627 0.679694 Na\n0.531367 0.156625 0.479396 Na\n0.152828 0.195387 0.819648 Na\n0.123192 0.480891 0.503056 Na\n0.020577 0.633420 0.002258 Na\n0.634800 0.968898 0.010403 Na\n0.370799 0.626200 0.125623 Be\n0.872619 0.125731 0.373710 Be\n0.003638 0.499299 0.749117 Be\n0.619906 0.384007 0.129376 Si\n0.002557 0.494952 0.254804 Si\n0.122567 0.884512 0.372045 Si\n0.503798 0.998662 0.751243 Si\n0.122166 0.871187 0.626844 Si\n0.638876 0.378318 0.878062 Si\n0.873653 0.129114 0.619609 Si\n0.501599 0.996040 0.245470 Si\n0.368052 0.614574 0.875458 Si\n0.498157 0.500522 0.501108 Cl\n0.000498 0.996954 0.997591 Cl\n0.940031 0.350375 0.352856 O\n0.844668 0.445187 0.154751 O\n0.001006 0.701778 0.300769 O\n0.548968 0.555224 0.149332 O\n0.453756 0.844525 0.847230 O\n0.196314 0.507100 0.200000 O\n0.108003 0.810719 0.499028 O\n0.349969 0.954062 0.653671 O\n0.347258 0.947034 0.346401 O\n0.436476 0.850153 0.148453 O\n0.049180 0.053592 0.350966 O\n0.509118 0.197800 0.804043 O\n0.049157 0.049237 0.647335 O\n0.702509 0.999954 0.701846 O\n0.597622 0.303524 0.003099 O\n0.698563 0.010147 0.297050 O\n0.799684 0.085422 0.499049 O\n0.855308 0.447110 0.851251 O\n0.498456 0.203454 0.202070 O\n0.940715 0.343853 0.653667 O\n0.552171 0.545480 0.852370 O\n0.207957 0.506707 0.792066 O\n0.308150 0.595634 0.998669 O\n0.006129 0.699803 0.698997 O\n","nsites":46,"nelements":5,"elements":["Na","Be","Si","Cl","O"],"chemical_system":"Be-Cl-Na-O-Si","density":2.2476685983485822,"density_atomic":0.0677808641417341,"volume":678.6576208856096,"volume_molar":8.88472113221708,"formula_full":"Na8 Be3 Si9 Cl2 O24","formula_reduced":"Na8Be3Si9(ClO12)2","formula_anonymous":"A2B3C8D9E24","energy":-327.07940618000003,"energy_per_atom":-7.110421873478262,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.36340618,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.980000Z","spacegroup":1},{"id":"mp-686708","created_at":"2022-09-04T14:41:59.967913Z","structure_string":"Rb16 Yb8 Ti8 P24 O96\n1.0\n10.385891 0.000000 0.000000\n0.000000 10.425338 0.000000\n0.000000 0.003813 20.730470\nYb Rb Ti P O\n8 16 8 24 96\ndirect\n0.913703 0.834266 0.042891 Yb\n0.852694 0.390263 0.421417 Yb\n0.586772 0.666816 0.788969 Yb\n0.587061 0.668464 0.296101 Yb\n0.413703 0.165734 0.957109 Yb\n0.352694 0.609737 0.578583 Yb\n0.087061 0.331536 0.703899 Yb\n0.086772 0.333184 0.211031 Yb\n0.932630 0.670384 0.715198 Rb\n0.925781 0.674758 0.215045 Rb\n0.790354 0.039514 0.853954 Rb\n0.795954 0.041997 0.354008 Rb\n0.708145 0.455449 0.602018 Rb\n0.709009 0.459425 0.103110 Rb\n0.574458 0.825033 0.962151 Rb\n0.569397 0.809004 0.464187 Rb\n0.425781 0.325242 0.784955 Rb\n0.432630 0.329616 0.284802 Rb\n0.295954 0.958003 0.645992 Rb\n0.290354 0.960486 0.146046 Rb\n0.208145 0.544551 0.397982 Rb\n0.209009 0.540575 0.896890 Rb\n0.069397 0.190996 0.535813 Rb\n0.074458 0.174967 0.037849 Rb\n0.919797 0.839586 0.542108 Ti\n0.856654 0.394271 0.928109 Ti\n0.644482 0.099669 0.679430 Ti\n0.642575 0.107009 0.175008 Ti\n0.419797 0.160414 0.457892 Ti\n0.356654 0.605729 0.071891 Ti\n0.142575 0.892991 0.824992 Ti\n0.144482 0.900331 0.320570 Ti\n0.956352 0.006295 0.687538 P\n0.952611 0.013497 0.191848 P\n0.891413 0.721334 0.387046 P\n0.882469 0.704140 0.881570 P\n0.762012 0.361388 0.772687 P\n0.755300 0.361662 0.266099 P\n0.727402 0.116777 0.523666 P\n0.739631 0.135144 0.020905 P\n0.640989 0.797656 0.629748 P\n0.612170 0.795495 0.132145 P\n0.546903 0.490063 0.942181 P\n0.532429 0.467309 0.440065 P\n0.452611 0.986503 0.808152 P\n0.456352 0.993705 0.312462 P\n0.391413 0.278666 0.612954 P\n0.382469 0.295860 0.118430 P\n0.255300 0.638338 0.733901 P\n0.262012 0.638612 0.227313 P\n0.239631 0.864856 0.979095 P\n0.227402 0.883223 0.476334 P\n0.140989 0.202344 0.370252 P\n0.112170 0.204505 0.867855 P\n0.032429 0.532691 0.559935 P\n0.046903 0.509937 0.057819 P\n0.995429 0.679255 0.565838 O\n0.992430 0.641789 0.073715 O\n0.996691 0.805676 0.352931 O\n0.002528 0.780419 0.855450 O\n0.970087 0.918233 0.626192 O\n0.979140 0.917184 0.138114 O\n0.941786 0.466930 0.511967 O\n0.978524 0.454720 0.995720 O\n0.934475 0.581375 0.384698 O\n0.915385 0.556493 0.883392 O\n0.895689 0.387568 0.746755 O\n0.893495 0.395790 0.247523 O\n0.877981 0.770027 0.458306 O\n0.848600 0.753852 0.948366 O\n0.809193 0.991463 0.515590 O\n0.836324 0.027667 0.007315 O\n0.810982 0.014119 0.707191 O\n0.804111 0.017515 0.207205 O\n0.794772 0.260767 0.988545 O\n0.794371 0.221995 0.485817 O\n0.766546 0.335457 0.847790 O\n0.742520 0.308652 0.334595 O\n0.774378 0.729207 0.833186 O\n0.763415 0.745330 0.352726 O\n0.761560 0.782067 0.584516 O\n0.720265 0.770564 0.084042 O\n0.724604 0.154833 0.596894 O\n0.732685 0.160910 0.095563 O\n0.703157 0.238412 0.739084 O\n0.705780 0.253085 0.218996 O\n0.695774 0.483169 0.957021 O\n0.672034 0.478500 0.461673 O\n0.669521 0.472241 0.759300 O\n0.668291 0.478641 0.253909 O\n0.673200 0.743824 0.695941 O\n0.644759 0.742167 0.198527 O\n0.606993 0.104396 0.994219 O\n0.588430 0.092583 0.496811 O\n0.602827 0.942979 0.633880 O\n0.580609 0.943639 0.136362 O\n0.525231 0.037910 0.746657 O\n0.532493 0.058255 0.256022 O\n0.522617 0.585066 0.887020 O\n0.507108 0.531787 0.374433 O\n0.489135 0.726709 0.103715 O\n0.530071 0.726974 0.597349 O\n0.504735 0.853749 0.824305 O\n0.510118 0.862410 0.329027 O\n0.492430 0.358211 0.926285 O\n0.495429 0.320745 0.434162 O\n0.496691 0.194324 0.647069 O\n0.502528 0.219581 0.144550 O\n0.479140 0.082816 0.861886 O\n0.470087 0.081767 0.373808 O\n0.478524 0.545280 0.004280 O\n0.441786 0.533070 0.488033 O\n0.434475 0.418625 0.615302 O\n0.415385 0.443507 0.116608 O\n0.393495 0.604210 0.752477 O\n0.395689 0.612432 0.253245 O\n0.377981 0.229973 0.541694 O\n0.348600 0.246148 0.051634 O\n0.336324 0.972333 0.992685 O\n0.309193 0.008537 0.484410 O\n0.304111 0.982485 0.792795 O\n0.310982 0.985881 0.292809 O\n0.294371 0.778005 0.514183 O\n0.294772 0.739233 0.011455 O\n0.242520 0.691348 0.665405 O\n0.266546 0.664543 0.152210 O\n0.263415 0.254670 0.647274 O\n0.274378 0.270793 0.166815 O\n0.220265 0.229436 0.915958 O\n0.261560 0.217933 0.415484 O\n0.232685 0.839090 0.904437 O\n0.224604 0.845167 0.403106 O\n0.205780 0.746915 0.781004 O\n0.203157 0.761588 0.260916 O\n0.172034 0.521500 0.538327 O\n0.195774 0.516831 0.042979 O\n0.168291 0.521359 0.746091 O\n0.169521 0.527759 0.240700 O\n0.173200 0.256176 0.304059 O\n0.144759 0.257833 0.801473 O\n0.088430 0.907417 0.503189 O\n0.106993 0.895604 0.005781 O\n0.102827 0.057021 0.366120 O\n0.080609 0.056361 0.863638 O\n0.032493 0.941745 0.743978 O\n0.025231 0.962090 0.253343 O\n0.007108 0.468213 0.625567 O\n0.022617 0.414934 0.112980 O\n0.030071 0.273026 0.402651 O\n0.989135 0.273291 0.896285 O\n0.010118 0.137590 0.670973 O\n0.004735 0.146251 0.175695 O\n","nsites":152,"nelements":5,"elements":["Yb","Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti-Yb","density":4.005240384937589,"density_atomic":0.0677174405185347,"volume":2244.6211616399855,"volume_molar":8.893042492283358,"formula_full":"Rb16 Yb8 Ti8 P24 O96","formula_reduced":"Rb2YbTi(PO4)3","formula_anonymous":"ABC2D3E12","energy":-1141.10851527,"energy_per_atom":-7.507292863618421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1075.15651527,"band_gap":0.0033,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9982875,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.971000Z","spacegroup":4}]}