{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10183","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10181","results":[{"id":"mp-695477","created_at":"2022-09-04T14:45:18.361494Z","structure_string":"Ca12 La8 Ti10 Cr10 O60\n1.0\n5.526776 0.009978 0.000331\n0.009824 5.551980 0.003156\n0.002249 0.022194 38.443013\nCa La Ti Cr O\n12 8 10 10 60\ndirect\n0.488036 0.467686 0.348122 Ca\n0.488244 0.467180 0.151875 Ca\n0.487602 0.466029 0.551127 Ca\n0.487546 0.467415 0.948917 Ca\n0.511318 0.532280 0.250031 Ca\n0.509009 0.536320 0.648249 Ca\n0.509544 0.534291 0.851632 Ca\n0.989363 0.026685 0.050370 Ca\n0.989535 0.028523 0.250031 Ca\n0.988935 0.026741 0.449587 Ca\n0.991867 0.026754 0.649338 Ca\n0.990342 0.026940 0.850557 Ca\n0.005693 0.980478 0.150835 La\n0.006282 0.980549 0.349116 La\n0.006337 0.980106 0.550150 La\n0.005877 0.980321 0.750124 La\n0.007042 0.979950 0.949873 La\n0.491712 0.475907 0.750126 La\n0.506160 0.525371 0.050565 La\n0.506621 0.525177 0.449394 La\n0.000401 0.499388 0.000027 Ti\n0.998043 0.500611 0.201735 Ti\n0.996822 0.499885 0.600478 Ti\n0.995483 0.500168 0.802540 Ti\n0.000292 0.499533 0.101123 Ti\n0.997920 0.500639 0.298379 Ti\n0.000177 0.499363 0.398818 Ti\n0.000481 0.499422 0.499853 Ti\n0.995437 0.500109 0.697562 Ti\n0.996897 0.499919 0.899455 Ti\n0.500750 0.999758 0.100199 Cr\n0.500561 0.999773 0.000125 Cr\n0.499664 0.999830 0.298958 Cr\n0.499445 0.999722 0.201109 Cr\n0.500779 0.999787 0.399811 Cr\n0.500067 0.000056 0.600589 Cr\n0.499527 -0.000041 0.899166 Cr\n0.500257 0.999640 0.499715 Cr\n0.499067 0.999961 0.698499 Cr\n0.499039 0.999764 0.801633 Cr\n0.072106 0.486404 0.049817 O\n0.085628 0.483283 0.249881 O\n0.072151 0.486399 0.450255 O\n0.085399 0.482014 0.649973 O\n0.085552 0.482022 0.849999 O\n0.225858 0.229278 0.191622 O\n0.226021 0.228999 0.591643 O\n0.228072 0.233312 0.391818 O\n0.228332 0.233121 0.108212 O\n0.225056 0.229759 0.308275 O\n0.227164 0.231685 0.791344 O\n0.228470 0.232971 0.991624 O\n0.228327 0.232956 0.508467 O\n0.227243 0.231479 0.708668 O\n0.225707 0.229321 0.908353 O\n0.269801 0.724889 0.191267 O\n0.272997 0.720917 0.391512 O\n0.269273 0.724355 0.308630 O\n0.271567 0.724035 0.591321 O\n0.273138 0.721087 0.108508 O\n0.272762 0.721391 0.991350 O\n0.267224 0.726581 0.791488 O\n0.272661 0.721295 0.508731 O\n0.267335 0.726791 0.708528 O\n0.270989 0.723550 0.908689 O\n0.413628 0.984363 0.049908 O\n0.412044 0.981201 0.249812 O\n0.409900 0.978719 0.649488 O\n0.413886 0.984596 0.450168 O\n0.410789 0.979804 0.850759 O\n0.578015 0.016266 0.349296 O\n0.577987 0.016380 0.150849 O\n0.578820 0.017462 0.550559 O\n0.575482 0.010456 0.749987 O\n0.578312 0.016990 0.949267 O\n0.735007 0.272289 0.091838 O\n0.732426 0.275616 0.291306 O\n0.734754 0.272283 0.008217 O\n0.732154 0.275050 0.891344 O\n0.731819 0.275006 0.208569 O\n0.734931 0.272282 0.491885 O\n0.730397 0.276153 0.691679 O\n0.731669 0.274683 0.608657 O\n0.735125 0.272513 0.408234 O\n0.730542 0.276287 0.808304 O\n0.779238 0.771243 0.091350 O\n0.778829 0.771649 0.008622 O\n0.779648 0.774122 0.208685 O\n0.780319 0.773652 0.291182 O\n0.779150 0.771625 0.491465 O\n0.776967 0.769964 0.691565 O\n0.779402 0.771118 0.408704 O\n0.780301 0.774393 0.608792 O\n0.777171 0.769653 0.808409 O\n0.780737 0.774283 0.891226 O\n0.918767 0.510710 0.150010 O\n0.918693 0.510667 0.350000 O\n0.918194 0.510788 0.550421 O\n0.929684 0.507130 0.749961 O\n0.918204 0.510718 0.949711 O\n","nsites":100,"nelements":5,"elements":["Ca","La","Ti","Cr","O"],"chemical_system":"Ca-Cr-La-O-Ti","density":4.998464114177964,"density_atomic":0.08477432820827766,"volume":1179.6023880521375,"volume_molar":7.1037316216821145,"formula_full":"Ca12 La8 Ti10 Cr10 O60","formula_reduced":"Ca6La4Ti5Cr5O30","formula_anonymous":"A4B5C5D6E30","energy":-866.3448395099999,"energy_per_atom":-8.6634483951,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-805.13483951,"band_gap":0.3288999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.7512198,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.913000Z","spacegroup":6},{"id":"mp-720201","created_at":"2022-09-04T14:39:23.859682Z","structure_string":"Ba4 La6 Mn5 In5 O30\n1.0\n2.870217 5.014661 0.000000\n-2.870217 5.014661 0.000000\n0.000000 3.567079 23.581870\nBa La Mn In O\n4 6 5 5 30\ndirect\n0.447558 0.447558 0.152689 Ba\n0.147517 0.147517 0.056777 Ba\n0.752928 0.752928 0.247024 Ba\n0.351427 0.351427 0.443511 Ba\n0.047168 0.047168 0.338223 La\n0.640917 0.640917 0.544489 La\n0.245107 0.245107 0.756973 La\n0.957697 0.957697 0.636287 La\n0.839527 0.839527 0.966517 La\n0.555952 0.555952 0.858117 La\n0.797459 0.797459 0.104681 Mn\n0.505562 0.505562 0.005888 Mn\n0.405595 0.405595 0.297923 Mn\n0.097021 0.097021 0.198813 Mn\n0.002895 0.002895 0.493867 Mn\n0.700641 0.700641 0.397217 In\n0.601878 0.601878 0.700399 In\n0.296543 0.296543 0.596842 In\n0.193087 0.193087 0.906056 In\n0.901772 0.901772 0.801626 In\n0.637493 0.637493 0.057534 O\n0.453134 0.955335 0.152074 O\n0.650543 0.131324 0.046886 O\n0.246746 0.246746 0.260619 O\n0.080493 0.582712 0.347440 O\n0.243276 0.764106 0.250008 O\n0.955335 0.453134 0.152074 O\n0.131324 0.650543 0.046886 O\n0.822973 0.822973 0.466022 O\n0.947925 0.947925 0.148640 O\n0.688791 0.175125 0.551637 O\n0.846812 0.302867 0.439285 O\n0.582712 0.080493 0.347440 O\n0.764106 0.243276 0.250008 O\n0.399981 0.399981 0.670293 O\n0.561415 0.561415 0.338241 O\n0.305356 0.790953 0.768581 O\n0.412094 0.895247 0.630670 O\n0.175125 0.688791 0.551637 O\n0.302867 0.846812 0.439285 O\n0.992672 0.992672 0.880515 O\n0.159213 0.159213 0.530504 O\n0.841860 0.398006 0.961310 O\n0.011041 0.505263 0.840266 O\n0.790953 0.305356 0.768581 O\n0.895247 0.412094 0.630670 O\n0.808496 0.808496 0.722816 O\n0.398006 0.841860 0.961310 O\n0.505263 0.011041 0.840266 O\n0.381032 0.381032 0.944701 O\n","nsites":50,"nelements":5,"elements":["Ba","La","Mn","In","O"],"chemical_system":"Ba-In-La-Mn-O","density":6.632765538799784,"density_atomic":0.07365554648774726,"volume":678.8355036958092,"volume_molar":8.176085912283327,"formula_full":"Ba4 La6 Mn5 In5 O30","formula_reduced":"Ba4La6Mn5In5O30","formula_anonymous":"A4B5C5D6E30","energy":-380.12481204,"energy_per_atom":-7.6024962408,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.17481204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9990181,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.792000Z","spacegroup":8},{"id":"mp-1200833","created_at":"2022-09-04T14:42:25.733385Z","structure_string":"Dy5 Mg5 Al12 Fe4 Si6\n1.0\n11.883426 0.000000 0.000000\n0.000000 11.883426 0.000000\n0.000000 0.000000 3.993075\nDy Mg Al Fe Si\n5 5 12 4 6\ndirect\n0.251648 0.500000 0.000000 Dy\n0.748352 0.500000 0.000000 Dy\n0.500000 0.748352 0.000000 Dy\n0.500000 0.251648 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.202188 0.202188 0.000000 Mg\n0.797812 0.797812 0.000000 Mg\n0.202188 0.797812 0.000000 Mg\n0.797812 0.202188 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.112298 0.372898 0.500000 Al\n0.887702 0.627102 0.500000 Al\n0.112298 0.627102 0.500000 Al\n0.887702 0.372898 0.500000 Al\n0.372898 0.887702 0.500000 Al\n0.627102 0.112298 0.500000 Al\n0.372898 0.112298 0.500000 Al\n0.627102 0.887702 0.500000 Al\n0.331785 0.331785 0.500000 Al\n0.668215 0.668215 0.500000 Al\n0.331785 0.668215 0.500000 Al\n0.668215 0.331785 0.500000 Al\n0.305147 0.000000 0.000000 Fe\n0.694853 0.000000 0.000000 Fe\n0.000000 0.694853 0.000000 Fe\n0.000000 0.305147 0.000000 Fe\n0.187793 0.000000 0.500000 Si\n0.812207 0.000000 0.500000 Si\n0.000000 0.812207 0.500000 Si\n0.000000 0.187793 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n","nsites":32,"nelements":5,"elements":["Dy","Mg","Al","Fe","Si"],"chemical_system":"Al-Dy-Fe-Mg-Si","density":4.858054036277909,"density_atomic":0.056749126184365416,"volume":563.885334481434,"volume_molar":10.611865177333991,"formula_full":"Dy5 Mg5 Al12 Fe4 Si6","formula_reduced":"Dy5Mg5Al12(Fe2Si3)2","formula_anonymous":"A4B5C5D6E12","energy":-153.89478103000002,"energy_per_atom":-4.809211907187501,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.32078103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0462169,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.458000Z","spacegroup":123},{"id":"mp-1200402","created_at":"2022-09-04T14:44:11.926522Z","structure_string":"Y5 Mg5 Al12 Fe4 Si6\n1.0\n11.911207 0.000000 0.000000\n0.000000 11.911207 0.000000\n0.000000 0.000000 3.998593\nY Mg Al Fe Si\n5 5 12 4 6\ndirect\n0.251706 0.500000 0.000000 Y\n0.748294 0.500000 0.000000 Y\n0.500000 0.748294 0.000000 Y\n0.500000 0.251706 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.202103 0.202103 0.000000 Mg\n0.797897 0.797897 0.000000 Mg\n0.202103 0.797897 0.000000 Mg\n0.797897 0.202103 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.112224 0.372801 0.500000 Al\n0.887776 0.627199 0.500000 Al\n0.112224 0.627199 0.500000 Al\n0.887776 0.372801 0.500000 Al\n0.372801 0.887776 0.500000 Al\n0.627199 0.112224 0.500000 Al\n0.372801 0.112224 0.500000 Al\n0.627199 0.887776 0.500000 Al\n0.331529 0.331529 0.500000 Al\n0.668471 0.668471 0.500000 Al\n0.331529 0.668471 0.500000 Al\n0.668471 0.331529 0.500000 Al\n0.305983 0.000000 0.000000 Fe\n0.694017 0.000000 0.000000 Fe\n0.000000 0.694017 0.000000 Fe\n0.000000 0.305983 0.000000 Fe\n0.189214 0.000000 0.500000 Si\n0.810786 0.000000 0.500000 Si\n0.000000 0.810786 0.500000 Si\n0.000000 0.189214 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n","nsites":32,"nelements":5,"elements":["Y","Mg","Al","Fe","Si"],"chemical_system":"Al-Fe-Mg-Si-Y","density":3.751677068855824,"density_atomic":0.056406770140834374,"volume":567.307788056355,"volume_molar":10.676272980998801,"formula_full":"Y5 Mg5 Al12 Fe4 Si6","formula_reduced":"Y5Mg5Al12(Fe2Si3)2","formula_anonymous":"A4B5C5D6E12","energy":-163.33681294000002,"energy_per_atom":-5.1042754043750005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.76281294,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013153,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.781000Z","spacegroup":123},{"id":"mp-686434","created_at":"2022-09-04T14:41:22.122498Z","structure_string":"Ca20 Mg20 P20 O84 F16\n1.0\n4.424246 3.284938 0.000000\n-4.424246 3.284938 0.000000\n0.000000 0.735898 65.318276\nCa Mg P O F\n20 20 20 84 16\ndirect\n0.137764 0.059775 0.899727 Ca\n0.740787 0.659203 0.799998 Ca\n0.338600 0.261258 0.699949 Ca\n0.938613 0.861418 0.599998 Ca\n0.538580 0.461420 0.500000 Ca\n0.262225 0.540224 0.850280 Ca\n0.138582 0.061387 0.400002 Ca\n0.859740 0.137580 0.749672 Ca\n0.738742 0.661400 0.300051 Ca\n0.461385 0.738581 0.649992 Ca\n0.340797 0.259213 0.200002 Ca\n0.061443 0.338600 0.549996 Ca\n0.940225 0.862236 0.100273 Ca\n0.661400 0.938557 0.450004 Ca\n0.539260 0.460740 0.000000 Ca\n0.261419 0.538615 0.350008 Ca\n0.862420 0.140260 0.250328 Ca\n0.459776 0.737775 0.149720 Ca\n0.059282 0.341065 0.050044 Ca\n0.658935 0.940718 0.949956 Ca\n0.699963 0.300025 0.874999 Mg\n0.497596 0.097886 0.825489 Mg\n0.301971 0.902363 0.774472 Mg\n0.099582 0.699183 0.724849 Mg\n0.899872 0.499943 0.674959 Mg\n0.700007 0.299954 0.624993 Mg\n0.499965 0.099979 0.574997 Mg\n0.299988 0.899975 0.524998 Mg\n0.100025 0.700012 0.475002 Mg\n0.900021 0.500035 0.425003 Mg\n0.700046 0.299993 0.375007 Mg\n0.500057 0.100128 0.325041 Mg\n0.300817 0.900418 0.275151 Mg\n0.097637 0.698029 0.225528 Mg\n0.902114 0.502404 0.174511 Mg\n0.699975 0.300037 0.125001 Mg\n0.498040 0.097650 0.075509 Mg\n0.302733 0.902745 0.024618 Mg\n0.097255 0.697267 0.975382 Mg\n0.902350 0.501960 0.924491 Mg\n0.920431 0.878146 0.850307 P\n0.521459 0.479395 0.749628 P\n0.121119 0.078874 0.649988 P\n0.721109 0.678869 0.549969 P\n0.479541 0.721798 0.899687 P\n0.321131 0.278891 0.450031 P\n0.079307 0.320688 0.799994 P\n0.921126 0.878881 0.350012 P\n0.678457 0.920829 0.699908 P\n0.520605 0.478541 0.250372 P\n0.278886 0.521127 0.599980 P\n0.121854 0.079569 0.149693 P\n0.878898 0.121102 0.500000 P\n0.721056 0.679510 0.050055 P\n0.478873 0.721114 0.400020 P\n0.320490 0.278944 0.949945 P\n0.079171 0.321543 0.300092 P\n0.679312 0.920693 0.200006 P\n0.278202 0.520459 0.100313 P\n0.879003 0.120997 0.000000 P\n0.268795 0.723213 0.915766 O\n0.976760 0.136063 0.861753 O\n0.864827 0.319874 0.815802 O\n0.925337 0.666471 0.866115 O\n0.661930 0.822938 0.839135 O\n0.576815 0.737950 0.760813 O\n0.465802 0.922120 0.715777 O\n0.486814 0.913132 0.799987 O\n0.523049 0.268687 0.765711 O\n0.263502 0.422935 0.738208 O\n0.738117 0.777139 0.910857 O\n0.175521 0.335698 0.661571 O\n0.474597 0.933591 0.883891 O\n0.066296 0.522454 0.615846 O\n0.122446 0.866340 0.665840 O\n0.423201 0.464053 0.888254 O\n0.864305 0.024449 0.638407 O\n0.334695 0.378372 0.811702 O\n0.775517 0.935781 0.561592 O\n0.080065 0.535251 0.784196 O\n0.131228 0.876782 0.834244 O\n0.666301 0.122470 0.515843 O\n0.722465 0.466220 0.565851 O\n0.021606 0.065330 0.788279 O\n0.464394 0.624488 0.538420 O\n0.935333 0.975191 0.711540 O\n0.375512 0.535606 0.461580 O\n0.677306 0.133471 0.684110 O\n0.732987 0.474294 0.733821 O\n0.266456 0.722499 0.415837 O\n0.322517 0.066460 0.465834 O\n0.624239 0.664238 0.688364 O\n0.064219 0.224483 0.438408 O\n0.535755 0.575488 0.611590 O\n0.975551 0.135695 0.361593 O\n0.277501 0.733544 0.584163 O\n0.333665 0.077453 0.634151 O\n0.866529 0.322694 0.315890 O\n0.922547 0.666335 0.365849 O\n0.224498 0.264336 0.588416 O\n0.664302 0.824479 0.338429 O\n0.135689 0.175512 0.511587 O\n0.577065 0.736498 0.261792 O\n0.877530 0.333699 0.484157 O\n0.933540 0.677483 0.534166 O\n0.464749 0.919935 0.215804 O\n0.525706 0.267013 0.266179 O\n0.824488 0.864311 0.488413 O\n0.262050 0.423185 0.239187 O\n0.735664 0.775502 0.411584 O\n0.177062 0.338070 0.160865 O\n0.477546 0.933704 0.384154 O\n0.533780 0.277535 0.434149 O\n0.066409 0.525403 0.116109 O\n0.086868 0.513186 0.200013 O\n0.123218 0.868772 0.165756 O\n0.424512 0.464245 0.388410 O\n0.863937 0.023240 0.138247 O\n0.335762 0.375761 0.311636 O\n0.778721 0.934849 0.061748 O\n0.077880 0.534198 0.284223 O\n0.133660 0.877554 0.334160 O\n0.669235 0.126379 0.016051 O\n0.720087 0.464956 0.065854 O\n0.024809 0.064667 0.288460 O\n0.465778 0.621918 0.038325 O\n0.934670 0.978394 0.211721 O\n0.378082 0.534222 0.961675 O\n0.680126 0.135173 0.184198 O\n0.731313 0.476951 0.234289 O\n0.319703 0.064305 0.965744 O\n0.621628 0.665305 0.188298 O\n0.065151 0.221279 0.938252 O\n0.535947 0.576799 0.111746 O\n0.276787 0.731205 0.084234 O\n0.313093 0.086942 0.050058 O\n0.333529 0.074663 0.133885 O\n0.222861 0.261883 0.089143 O\n0.138699 0.178486 0.011013 O\n0.873621 0.330765 0.983949 O\n0.913058 0.686907 0.949942 O\n0.935695 0.680297 0.034256 O\n0.821514 0.861301 0.988987 O\n0.535044 0.279913 0.934146 O\n0.884926 0.312748 0.899866 F\n0.515057 0.287154 0.850098 F\n0.085348 0.514630 0.699922 F\n0.113113 0.884822 0.749827 F\n0.685166 0.114814 0.599994 F\n0.714768 0.485203 0.649979 F\n0.285208 0.714792 0.500000 F\n0.314794 0.085151 0.549992 F\n0.885186 0.314834 0.400006 F\n0.914849 0.685206 0.450008 F\n0.485370 0.914652 0.300078 F\n0.514797 0.285232 0.350021 F\n0.115178 0.886887 0.250173 F\n0.687252 0.115074 0.100134 F\n0.712846 0.484943 0.149902 F\n0.286560 0.713440 0.000000 F\n","nsites":160,"nelements":5,"elements":["Ca","Mg","P","O","F"],"chemical_system":"Ca-F-Mg-O-P","density":3.1093155052712667,"density_atomic":0.08427307276844648,"volume":1898.5898430406728,"volume_molar":7.145984550185774,"formula_full":"Ca20 Mg20 P20 O84 F16","formula_reduced":"Ca5Mg5P5O21F4","formula_anonymous":"A4B5C5D5E21","energy":-1150.76700894,"energy_per_atom":-7.192293805875001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1085.66700894,"band_gap":0.8222,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0001683,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.984000Z","spacegroup":5},{"id":"mp-775424","created_at":"2022-09-04T14:41:59.497991Z","structure_string":"Na5 Li4 Ti5 O14\n1.0\n5.226516 0.000000 0.000000\n-0.938938 -6.950779 0.000000\n-1.698872 0.048482 -8.011036\nNa Li Ti O\n5 4 5 14\ndirect\n0.511951 0.999958 0.497869 Na\n0.916559 0.856864 0.359693 Na\n0.647006 0.294993 0.795142 Na\n0.072298 0.134775 0.642640 Na\n0.357896 0.723371 0.215714 Na\n0.216978 0.433093 0.934520 Li\n0.861326 0.708329 0.716773 Li\n0.778039 0.574865 0.063951 Li\n0.568394 0.150195 0.139224 Li\n0.002222 0.992831 0.996208 Ti\n0.431194 0.849529 0.859570 Ti\n0.285289 0.572598 0.582038 Ti\n0.711066 0.428138 0.422336 Ti\n0.138813 0.285465 0.269983 Ti\n0.111613 0.744258 0.956046 O\n0.743119 0.981777 0.782057 O\n0.207426 0.830754 0.627704 O\n0.496550 0.583514 0.818157 O\n0.969804 0.445133 0.649150 O\n0.308056 0.101953 0.906616 O\n0.595447 0.675364 0.481217 O\n0.030345 0.547402 0.337387 O\n0.688491 0.862821 0.078143 O\n0.398313 0.313460 0.513571 O\n0.832928 0.182049 0.375557 O\n0.465126 0.417630 0.199391 O\n0.933671 0.277718 0.048066 O\n0.220279 0.030861 0.231676 O\n","nsites":28,"nelements":4,"elements":["Na","Li","Ti","O"],"chemical_system":"Li-Na-O-Ti","density":3.4579247836073193,"density_atomic":0.09621074628518127,"volume":291.02778100280324,"volume_molar":6.259322365247626,"formula_full":"Na5 Li4 Ti5 O14","formula_reduced":"Na5Li4Ti5O14","formula_anonymous":"A4B5C5D14","energy":-202.63097188,"energy_per_atom":-7.236820424285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.01297188,"band_gap":0.0484,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0002584,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.337000Z","spacegroup":1},{"id":"mp-1202424","created_at":"2022-09-04T14:48:15.720594Z","structure_string":"Li10 La10 Si8 N24\n1.0\n11.067108 0.000000 0.000000\n0.000000 11.067108 0.000000\n0.000000 0.000000 5.608358\nLi La Si N\n10 10 8 24\ndirect\n0.289196 0.882885 0.853136 Li\n0.210804 0.382885 0.853136 Li\n0.710804 0.117115 0.853136 Li\n0.789196 0.617115 0.853136 Li\n0.882885 0.710804 0.146864 Li\n0.617115 0.210804 0.146864 Li\n0.117115 0.289196 0.146864 Li\n0.382885 0.789196 0.146864 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.376480 0.616764 0.733020 La\n0.123520 0.116764 0.733020 La\n0.623520 0.383236 0.733020 La\n0.876480 0.883236 0.733020 La\n0.616764 0.623520 0.266980 La\n0.883236 0.123520 0.266980 La\n0.383236 0.376480 0.266980 La\n0.116764 0.876480 0.266980 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.607776 0.768775 0.761789 Si\n0.892224 0.268775 0.761789 Si\n0.392224 0.231225 0.761789 Si\n0.107776 0.731225 0.761789 Si\n0.768775 0.392224 0.238211 Si\n0.731225 0.892224 0.238211 Si\n0.231225 0.607776 0.238211 Si\n0.268775 0.107776 0.238211 Si\n0.465915 0.832371 0.798017 N\n0.034085 0.332371 0.798017 N\n0.534085 0.167629 0.798017 N\n0.965915 0.667629 0.798017 N\n0.832371 0.534085 0.201983 N\n0.667629 0.034085 0.201983 N\n0.167629 0.465915 0.201983 N\n0.332371 0.965915 0.201983 N\n0.604161 0.609058 0.736690 N\n0.895839 0.109058 0.736690 N\n0.395839 0.390942 0.736690 N\n0.104161 0.890942 0.736690 N\n0.609058 0.395839 0.263310 N\n0.890942 0.895839 0.263310 N\n0.390942 0.604161 0.263310 N\n0.109058 0.104161 0.263310 N\n0.209572 0.709572 0.000000 N\n0.290428 0.209572 0.000000 N\n0.790428 0.290428 0.000000 N\n0.709572 0.790428 0.000000 N\n0.672270 0.827730 0.500000 N\n0.827730 0.327730 0.500000 N\n0.327730 0.172270 0.500000 N\n0.172270 0.672270 0.500000 N\n","nsites":52,"nelements":4,"elements":["Li","La","Si","N"],"chemical_system":"La-Li-N-Si","density":4.881440065965761,"density_atomic":0.07570059955362143,"volume":686.9166202992427,"volume_molar":7.955208803510602,"formula_full":"Li10 La10 Si8 N24","formula_reduced":"Li5La5(SiN3)4","formula_anonymous":"A4B5C5D12","energy":-383.46373718,"energy_per_atom":-7.374302638076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.79973718,"band_gap":2.5229,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037789,"is_theoretical":false,"updated_at":"2021-11-28T01:38:40.253000Z","spacegroup":117},{"id":"mp-1205196","created_at":"2022-09-04T14:47:56.005774Z","structure_string":"Li10 Ce10 Si8 N24\n1.0\n10.923721 0.000000 0.000000\n0.000000 10.923721 0.000000\n0.000000 0.000000 5.557899\nLi Ce Si N\n10 10 8 24\ndirect\n0.292594 0.888121 0.852283 Li\n0.207406 0.388121 0.852283 Li\n0.707406 0.111879 0.852283 Li\n0.792594 0.611879 0.852283 Li\n0.888121 0.707406 0.147717 Li\n0.611879 0.207406 0.147717 Li\n0.111879 0.292594 0.147717 Li\n0.388121 0.792594 0.147717 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.379426 0.617226 0.729321 Ce\n0.120574 0.117226 0.729321 Ce\n0.620574 0.382774 0.729321 Ce\n0.879426 0.882774 0.729321 Ce\n0.617226 0.620574 0.270679 Ce\n0.882774 0.120574 0.270679 Ce\n0.382774 0.379426 0.270679 Ce\n0.117226 0.879426 0.270679 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.609707 0.766730 0.762248 Si\n0.890293 0.266730 0.762248 Si\n0.390293 0.233270 0.762248 Si\n0.109707 0.733270 0.762248 Si\n0.766730 0.390293 0.237752 Si\n0.733270 0.890293 0.237752 Si\n0.233270 0.609707 0.237752 Si\n0.266730 0.109707 0.237752 Si\n0.467439 0.833765 0.795949 N\n0.032561 0.333765 0.795949 N\n0.532561 0.166235 0.795949 N\n0.967439 0.666235 0.795949 N\n0.833765 0.532561 0.204051 N\n0.666235 0.032561 0.204051 N\n0.166235 0.467439 0.204051 N\n0.333765 0.967439 0.204051 N\n0.603564 0.605246 0.736900 N\n0.896436 0.105246 0.736900 N\n0.396436 0.394754 0.736900 N\n0.103564 0.894754 0.736900 N\n0.605246 0.396436 0.263100 N\n0.894754 0.896436 0.263100 N\n0.394754 0.603564 0.263100 N\n0.105246 0.103564 0.263100 N\n0.213883 0.713883 0.000000 N\n0.286117 0.213883 0.000000 N\n0.786117 0.286117 0.000000 N\n0.713883 0.786117 0.000000 N\n0.676028 0.823972 0.500000 N\n0.823972 0.323972 0.500000 N\n0.323972 0.176028 0.500000 N\n0.176028 0.676028 0.500000 N\n","nsites":52,"nelements":4,"elements":["Li","Ce","Si","N"],"chemical_system":"Ce-Li-N-Si","density":5.08622842314427,"density_atomic":0.07840639649953227,"volume":663.2111960445753,"volume_molar":7.680675338823823,"formula_full":"Li10 Ce10 Si8 N24","formula_reduced":"Li5Ce5(SiN3)4","formula_anonymous":"A4B5C5D12","energy":-390.62192522,"energy_per_atom":-7.511960100384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-381.95792522,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.000353,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.667000Z","spacegroup":117},{"id":"mp-1222996","created_at":"2022-09-04T14:41:08.236317Z","structure_string":"Li5 Yb4 Sn5\n1.0\n17.054647 -2.447098 0.000000\n17.054647 2.447098 0.000000\n16.703523 0.000000 4.223929\nLi Yb Sn\n5 4 5\ndirect\n0.960009 0.960009 0.960009 Li\n0.554163 0.554163 0.554163 Li\n0.137670 0.137670 0.137670 Li\n0.682956 0.682956 0.682956 Li\n0.371828 0.371828 0.371828 Li\n0.310118 0.310118 0.310118 Yb\n0.902309 0.902309 0.902309 Yb\n0.500777 0.500777 0.500777 Yb\n0.074139 0.074139 0.074139 Yb\n0.435795 0.435795 0.435795 Sn\n0.199153 0.199153 0.199153 Sn\n0.797224 0.797224 0.797224 Sn\n0.014714 0.014714 0.014714 Sn\n0.609145 0.609145 0.609145 Sn\n","nsites":14,"nelements":3,"elements":["Li","Yb","Sn"],"chemical_system":"Li-Sn-Yb","density":6.218975483705061,"density_atomic":0.0397088521883838,"volume":352.5662221003578,"volume_molar":15.165738690784126,"formula_full":"Li5 Yb4 Sn5","formula_reduced":"Li5Yb4Sn5","formula_anonymous":"A4B5C5","energy":-41.38558475,"energy_per_atom":-2.9561131964285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.38558475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0449016,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.542000Z","spacegroup":160},{"id":"mp-1217622","created_at":"2022-09-04T14:41:24.136951Z","structure_string":"Ti4 Fe5 Sb5\n1.0\n-2.332573 -2.332573 0.000000\n0.000000 2.332573 -2.332573\n16.627096 -14.294523 -14.294523\nTi Fe Sb\n4 5 5\ndirect\n0.090896 0.045448 0.136345 Ti\n0.900609 0.450305 0.350914 Ti\n0.709887 0.854944 0.564831 Ti\n0.519352 0.259676 0.779027 Ti\n0.989530 0.994765 0.984295 Fe\n0.798591 0.399296 0.197887 Fe\n0.608346 0.804173 0.412520 Fe\n0.418331 0.209166 0.627497 Fe\n0.226854 0.613427 0.840281 Fe\n0.608302 0.304151 0.912453 Sb\n0.797083 0.898542 0.695625 Sb\n0.986862 0.493431 0.480294 Sb\n0.367978 0.683989 0.051967 Sb\n0.177377 0.088688 0.266065 Sb\n","nsites":14,"nelements":3,"elements":["Ti","Fe","Sb"],"chemical_system":"Fe-Sb-Ti","density":7.286264546133406,"density_atomic":0.0569067840339929,"volume":246.01636233102172,"volume_molar":10.582465451575533,"formula_full":"Ti4 Fe5 Sb5","formula_reduced":"Ti4(FeSb)5","formula_anonymous":"A4B5C5","energy":-94.60331852,"energy_per_atom":-6.757379894285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.64331852,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2644636,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.223000Z","spacegroup":160},{"id":"mp-31407","created_at":"2022-09-04T14:41:54.528348Z","structure_string":"Ba10 In8 Bi10\n1.0\n10.788583 0.000000 0.000000\n0.000000 10.788583 0.000000\n0.000000 0.000000 9.155393\nBa In Bi\n10 8 10\ndirect\n0.000000 0.000000 0.198468 Ba\n0.500000 0.500000 0.698468 Ba\n0.189990 0.605294 0.374172 Ba\n0.605294 0.810010 0.374172 Ba\n0.394706 0.189990 0.374172 Ba\n0.810010 0.394706 0.374172 Ba\n0.689990 0.894706 0.874172 Ba\n0.310010 0.105294 0.874172 Ba\n0.894706 0.310010 0.874172 Ba\n0.105294 0.689990 0.874172 Ba\n0.684435 0.572142 0.031027 In\n0.315565 0.427858 0.031027 In\n0.427858 0.684435 0.031027 In\n0.572142 0.315565 0.031027 In\n0.927858 0.815565 0.531027 In\n0.815565 0.072142 0.531027 In\n0.184435 0.927858 0.531027 In\n0.072142 0.184435 0.531027 In\n0.000000 0.000000 0.812152 Bi\n0.500000 0.500000 0.312152 Bi\n0.890266 0.690386 0.192591 Bi\n0.109734 0.309614 0.192591 Bi\n0.309614 0.890266 0.192591 Bi\n0.690386 0.109734 0.192591 Bi\n0.809614 0.609734 0.692591 Bi\n0.609734 0.190386 0.692591 Bi\n0.390266 0.809614 0.692591 Bi\n0.190386 0.390266 0.692591 Bi\n","nsites":28,"nelements":3,"elements":["Ba","In","Bi"],"chemical_system":"Ba-Bi-In","density":6.827753035215075,"density_atomic":0.026275574828069692,"volume":1065.6284470735209,"volume_molar":22.919158950489116,"formula_full":"Ba10 In8 Bi10","formula_reduced":"Ba5In4Bi5","formula_anonymous":"A4B5C5","energy":-98.18781824,"energy_per_atom":-3.506707794285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.18781824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0164358,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.896000Z","spacegroup":104},{"id":"mp-1222490","created_at":"2022-09-04T14:45:13.776269Z","structure_string":"Li4 Cd5 Sb5\n1.0\n19.487105 -2.362731 0.000000\n19.487105 2.362731 0.000000\n19.200633 0.000000 4.082331\nLi Cd Sb\n4 5 5\ndirect\n0.749641 0.749641 0.749641 Li\n0.149781 0.149781 0.149781 Li\n0.549956 0.549956 0.549956 Li\n0.950613 0.950613 0.950613 Li\n0.049065 0.049065 0.049065 Cd\n0.449106 0.449106 0.449106 Cd\n0.849934 0.849934 0.849934 Cd\n0.249775 0.249775 0.249775 Cd\n0.651345 0.651345 0.651345 Cd\n0.600115 0.600115 0.600115 Sb\n0.800562 0.800562 0.800562 Sb\n0.200051 0.200051 0.200051 Sb\n0.000215 0.000215 0.000215 Sb\n0.399840 0.399840 0.399840 Sb\n","nsites":14,"nelements":3,"elements":["Li","Cd","Sb"],"chemical_system":"Cd-Li-Sb","density":5.294566895816839,"density_atomic":0.037241590504747096,"volume":375.9237940768253,"volume_molar":16.170471449742116,"formula_full":"Li4 Cd5 Sb5","formula_reduced":"Li4(CdSb)5","formula_anonymous":"A4B5C5","energy":-38.01726443,"energy_per_atom":-2.715518887857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.05726443,"band_gap":0.2604999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.021493,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.030000Z","spacegroup":160}]}