{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=53","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=51","results":[{"id":"mp-1217220","created_at":"2022-09-04T14:40:58.601003Z","structure_string":"Ti6 V6 Si10\n1.0\n0.000000 0.000000 -5.108156\n0.000000 -8.051628 0.000000\n-7.741730 -4.025814 -2.554078\nTi V Si\n6 6 10\ndirect\n0.350254 0.350254 0.299493 Ti\n0.649746 0.649746 0.700507 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.083715 0.804960 0.832571 V\n0.083715 0.362469 0.832571 V\n0.916285 0.637531 0.167429 V\n0.916285 0.195040 0.167429 V\n0.757740 0.000000 0.000000 V\n0.242260 0.000000 0.000000 V\n0.199439 0.699439 0.601121 Si\n0.800561 0.300561 0.398879 Si\n0.740237 0.500000 0.000000 Si\n0.259763 0.500000 0.000000 Si\n0.158973 0.158973 0.682055 Si\n0.841027 0.841027 0.317945 Si\n0.398096 0.086663 0.203809 Si\n0.398096 0.709529 0.203809 Si\n0.601904 0.290471 0.796191 Si\n0.601904 0.913337 0.796191 Si\n","nsites":22,"nelements":3,"elements":["Ti","V","Si"],"chemical_system":"Si-Ti-V","density":4.55647027513534,"density_atomic":0.0690934385539618,"volume":318.4093954568212,"volume_molar":8.715937267034008,"formula_full":"Ti6 V6 Si10","formula_reduced":"Ti3V3Si5","formula_anonymous":"A3B3C5","energy":-165.6488844,"energy_per_atom":-7.529494745454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.3588844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029503,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.174000Z","spacegroup":71},{"id":"mp-705853","created_at":"2022-09-04T14:40:58.614751Z","structure_string":"Na1 Ca8 Sm1 Ti10 Si10 O50\n1.0\n5.501109 0.000000 0.000000\n2.265922 7.169682 0.000000\n1.050051 3.260810 24.050813\nNa Ca Sm Ti Si O\n1 8 1 10 10 50\ndirect\n0.611854 0.216205 0.017051 Na\n0.787435 0.383112 0.183495 Ca\n0.188200 0.981918 0.383850 Ca\n0.588465 0.581929 0.583879 Ca\n0.988603 0.182166 0.783561 Ca\n0.013055 0.817379 0.215774 Ca\n0.412624 0.417746 0.415856 Ca\n0.812279 0.017878 0.615786 Ca\n0.211425 0.619597 0.815349 Ca\n0.385237 0.782526 0.985332 Sm\n0.399050 0.101943 0.199858 Ti\n0.704258 0.803731 0.099879 Ti\n0.800164 0.700062 0.399927 Ti\n0.099572 0.400273 0.299996 Ti\n0.200124 0.300164 0.599879 Ti\n0.499826 0.000000 0.499878 Ti\n0.598268 0.902479 0.799686 Ti\n0.899470 0.600505 0.699962 Ti\n0.000555 0.485544 0.002304 Ti\n0.303346 0.204938 0.899730 Ti\n0.106184 0.072706 0.086358 Si\n0.504454 0.677706 0.286359 Si\n0.295081 0.523870 0.114260 Si\n0.904425 0.277558 0.486399 Si\n0.695261 0.122783 0.313525 Si\n0.304263 0.877661 0.686215 Si\n0.095333 0.722854 0.513597 Si\n0.704221 0.480607 0.886812 Si\n0.495060 0.323409 0.713463 Si\n0.896559 0.920859 0.913091 Si\n0.475961 0.644538 0.132159 O\n0.752063 0.676916 0.035838 O\n0.872564 0.246362 0.331976 O\n0.966819 0.291957 0.059565 O\n0.115504 0.070043 0.154492 O\n0.004731 0.603610 0.140015 O\n0.150676 0.277140 0.236294 O\n0.272758 0.846346 0.531904 O\n0.357443 0.893354 0.258032 O\n0.391967 0.984930 0.059288 O\n0.512935 0.673009 0.354649 O\n0.278710 0.537185 0.045764 O\n0.405009 0.203536 0.339273 O\n0.439181 0.307291 0.142525 O\n0.551877 0.877921 0.436112 O\n0.672581 0.446241 0.731967 O\n0.648116 0.923958 0.163297 O\n0.756798 0.493743 0.458193 O\n0.795045 0.596621 0.260891 O\n0.912814 0.273036 0.554627 O\n0.686704 0.127379 0.245378 O\n0.805172 0.803620 0.539250 O\n0.842598 0.906535 0.341914 O\n0.951966 0.477787 0.636176 O\n0.075187 0.044226 0.931519 O\n0.934072 0.946830 0.067909 O\n0.047711 0.521797 0.364099 O\n0.156610 0.093895 0.658151 O\n0.194723 0.196675 0.460780 O\n0.312231 0.873576 0.754515 O\n0.086963 0.727353 0.445367 O\n0.205347 0.403930 0.739290 O\n0.242653 0.506539 0.541874 O\n0.351462 0.080403 0.835376 O\n0.327147 0.553377 0.268363 O\n0.447553 0.122024 0.564033 O\n0.552951 0.695818 0.858108 O\n0.594466 0.796745 0.660740 O\n0.706167 0.486900 0.954459 O\n0.486902 0.327658 0.645306 O\n0.602525 0.994346 0.937185 O\n0.642798 0.106565 0.741541 O\n0.727012 0.153797 0.468242 O\n0.846233 0.721823 0.764118 O\n0.994250 0.398267 0.861237 O\n0.888430 0.927427 0.844769 O\n0.050830 0.707045 0.942047 O\n0.126860 0.753944 0.668249 O\n0.244276 0.322098 0.963399 O\n0.529985 0.353788 0.868631 O\n","nsites":80,"nelements":6,"elements":["Na","Ca","Sm","Ti","Si","O"],"chemical_system":"Ca-Na-O-Si-Sm-Ti","density":3.59465565557701,"density_atomic":0.08433543347897497,"volume":948.5929780623491,"volume_molar":7.140700547298823,"formula_full":"Na1 Ca8 Sm1 Ti10 Si10 O50","formula_reduced":"NaCa8SmTi10(SiO5)10","formula_anonymous":"ABC8D10E10F50","energy":-679.2695856500001,"energy_per_atom":-8.490869820625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-644.91958565,"band_gap":2.9163,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.96e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.611000Z","spacegroup":1},{"id":"mp-1209056","created_at":"2022-09-04T14:40:58.617831Z","structure_string":"Sc4 Ni2 B4 Ir10\n1.0\n9.349408 0.000000 0.000000\n0.000000 9.349408 0.000000\n0.000000 0.000000 3.071122\nSc Ni B Ir\n4 2 4 10\ndirect\n0.675765 0.175765 0.000000 Sc\n0.324235 0.824235 0.000000 Sc\n0.175765 0.324235 0.000000 Sc\n0.824235 0.675765 0.000000 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.125913 0.625913 0.000000 B\n0.874087 0.374087 0.000000 B\n0.625913 0.874087 0.000000 B\n0.374087 0.125913 0.000000 B\n0.213787 0.070483 0.500000 Ir\n0.786213 0.929517 0.500000 Ir\n0.070483 0.786213 0.500000 Ir\n0.713787 0.429517 0.500000 Ir\n0.929517 0.213787 0.500000 Ir\n0.286213 0.570483 0.500000 Ir\n0.570483 0.713787 0.500000 Ir\n0.429517 0.286213 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n","nsites":20,"nelements":4,"elements":["Sc","Ni","B","Ir"],"chemical_system":"B-Ir-Ni-Sc","density":13.995753309314509,"density_atomic":0.07450144594217227,"volume":268.45116557232893,"volume_molar":8.083253531313154,"formula_full":"Sc4 Ni2 B4 Ir10","formula_reduced":"Sc2NiB2Ir5","formula_anonymous":"AB2C2D5","energy":-165.69388962,"energy_per_atom":-8.284694480999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.69388962,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7046553,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.341000Z","spacegroup":127},{"id":"mp-1112280","created_at":"2022-09-04T14:40:58.623561Z","structure_string":"K2 Nb1 Ag1 F6\n1.0\n0.000000 4.518862 4.518862\n4.518862 0.000000 4.518862\n4.518862 4.518862 0.000000\nK Nb Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ag\n0.767309 0.232691 0.232691 F\n0.232691 0.232691 0.767309 F\n0.232691 0.767309 0.767309 F\n0.232691 0.767309 0.232691 F\n0.767309 0.232691 0.767309 F\n0.767309 0.767309 0.232691 F\n","nsites":10,"nelements":4,"elements":["K","Nb","Ag","F"],"chemical_system":"Ag-F-K-Nb","density":3.5357534845733802,"density_atomic":0.054185460430403606,"volume":184.55135234744583,"volume_molar":11.11394221284675,"formula_full":"K2 Nb1 Ag1 F6","formula_reduced":"K2NbAgF6","formula_anonymous":"ABC2D6","energy":-52.61891503,"energy_per_atom":-5.261891502999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.84691503,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9837,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.351000Z","spacegroup":225},{"id":"mp-1994","created_at":"2022-09-04T14:40:58.627562Z","structure_string":"Hf1 B2\n1.0\n1.574328 -2.726816 0.000000\n1.574328 2.726816 0.000000\n0.000000 0.000000 3.479920\nHf B\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n","nsites":3,"nelements":2,"elements":["Hf","B"],"chemical_system":"B-Hf","density":11.121719076251619,"density_atomic":0.10040860786985799,"volume":29.877916481905338,"volume_molar":5.997633955651931,"formula_full":"Hf1 B2","formula_reduced":"HfB2","formula_anonymous":"AB2","energy":-26.369622820000004,"energy_per_atom":-8.789874273333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.369622820000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002424,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.464000Z","spacegroup":191},{"id":"mp-1079383","created_at":"2022-09-04T14:40:58.658114Z","structure_string":"Ce4 In2 Cu4\n1.0\n8.380093 0.000000 0.000000\n0.000000 8.380093 0.000000\n0.000000 0.000000 3.154539\nCe In Cu\n4 2 4\ndirect\n0.121415 0.621415 0.000000 Ce\n0.878585 0.378585 0.000000 Ce\n0.621415 0.878585 0.000000 Ce\n0.378585 0.121415 0.000000 Ce\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.668931 0.168931 0.500000 Cu\n0.331069 0.831069 0.500000 Cu\n0.168931 0.331069 0.500000 Cu\n0.831069 0.668931 0.500000 Cu\n","nsites":10,"nelements":3,"elements":["Ce","In","Cu"],"chemical_system":"Ce-Cu-In","density":7.827699477283648,"density_atomic":0.04514050593083008,"volume":221.53052549573215,"volume_molar":13.340880071720678,"formula_full":"Ce4 In2 Cu4","formula_reduced":"Ce2InCu2","formula_anonymous":"AB2C2","energy":-44.85107727,"energy_per_atom":-4.485107727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.85107727,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011561,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.872000Z","spacegroup":127},{"id":"mp-1105652","created_at":"2022-09-04T14:40:58.686763Z","structure_string":"Yb1 Co4 P12\n1.0\n-3.885065 3.885065 3.885065\n3.885065 -3.885065 3.885065\n3.885065 3.885065 -3.885065\nYb Co P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.353440 0.205050 0.851610 P\n0.646560 0.794950 0.148390 P\n0.646560 0.498170 0.851610 P\n0.353440 0.501830 0.148390 P\n0.205050 0.851610 0.353440 P\n0.794950 0.148390 0.646560 P\n0.498170 0.851610 0.646560 P\n0.501830 0.148390 0.353440 P\n0.851610 0.353440 0.205050 P\n0.148390 0.646560 0.794950 P\n0.851610 0.646560 0.498170 P\n0.148390 0.353440 0.501830 P\n","nsites":17,"nelements":3,"elements":["Yb","Co","P"],"chemical_system":"Co-P-Yb","density":5.525145670891629,"density_atomic":0.0724759742895394,"volume":234.56048941247062,"volume_molar":8.309154611625809,"formula_full":"Yb1 Co4 P12","formula_reduced":"Yb(CoP3)4","formula_anonymous":"AB4C12","energy":-104.52546074,"energy_per_atom":-6.148556514117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.52546074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022364,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.901000Z","spacegroup":204},{"id":"mp-1190666","created_at":"2022-09-04T14:40:58.757177Z","structure_string":"Cu3 P4 O14\n1.0\n4.846649 0.000000 0.000000\n2.163477 6.696106 0.000000\n2.100239 2.665079 7.774095\nCu P O\n3 4 14\ndirect\n0.035875 0.169096 0.559215 Cu\n0.964125 0.830904 0.440785 Cu\n0.000000 0.000000 0.000000 Cu\n0.376761 0.486890 0.297186 P\n0.623239 0.513110 0.702814 P\n0.350498 0.157561 0.183926 P\n0.649502 0.842439 0.816074 P\n0.307609 0.331145 0.480873 O\n0.692391 0.668855 0.519127 O\n0.183449 0.052382 0.371009 O\n0.816551 0.947618 0.628991 O\n0.697106 0.478779 0.266796 O\n0.302894 0.521221 0.733204 O\n0.296379 0.401612 0.164520 O\n0.703621 0.598388 0.835480 O\n0.217330 0.157317 0.041228 O\n0.782670 0.842683 0.958772 O\n0.826139 0.286693 0.733826 O\n0.173861 0.713307 0.266174 O\n0.679458 0.055380 0.185043 O\n0.320542 0.944620 0.814957 O\n","nsites":21,"nelements":3,"elements":["Cu","P","O"],"chemical_system":"Cu-O-P","density":3.544385497106446,"density_atomic":0.08323491925883617,"volume":252.2979560380922,"volume_molar":7.235113355817539,"formula_full":"Cu3 P4 O14","formula_reduced":"Cu3(P2O7)2","formula_anonymous":"A3B4C14","energy":-144.69193909,"energy_per_atom":-6.8900923376190475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.07393909,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0004699,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.808000Z","spacegroup":2},{"id":"mp-759254","created_at":"2022-09-04T14:40:58.763940Z","structure_string":"Li2 Bi8 P14 O48\n1.0\n11.005291 -0.015006 0.066685\n-2.842308 10.767728 0.075743\n-3.828009 -5.634980 9.418598\nLi Bi P O\n2 8 14 48\ndirect\n0.033105 0.326975 0.617925 Li\n0.966895 0.673025 0.382075 Li\n0.240884 0.824712 0.746785 Bi\n0.079177 0.712056 0.064321 Bi\n0.373314 0.233149 0.888488 Bi\n0.428067 0.598709 0.403634 Bi\n0.571933 0.401291 0.596366 Bi\n0.626686 0.766851 0.111512 Bi\n0.920823 0.287944 0.935679 Bi\n0.759116 0.175288 0.253215 Bi\n0.997676 0.974274 0.772998 P\n0.223183 0.814790 0.425900 P\n0.076220 0.335356 0.298829 P\n0.516133 0.725348 0.763713 P\n0.244442 0.115282 0.504299 P\n0.398729 0.963629 0.140975 P\n0.299301 0.523401 0.037427 P\n0.700699 0.476599 0.962573 P\n0.601271 0.036371 0.859025 P\n0.755558 0.884718 0.495701 P\n0.483867 0.274652 0.236287 P\n0.923780 0.664644 0.701171 P\n0.776817 0.185210 0.574100 P\n0.002324 0.025726 0.227002 P\n0.012036 0.658235 0.828805 O\n0.994894 0.658472 0.605844 O\n0.326106 0.918173 0.986702 O\n0.022471 0.912821 0.124482 O\n0.158100 0.800881 0.522367 O\n0.094556 0.725729 0.276668 O\n0.254731 0.367367 0.922053 O\n0.151428 0.007793 0.799707 O\n0.284406 0.981656 0.466354 O\n0.359138 0.687832 0.726577 O\n0.082179 0.053928 0.385163 O\n0.073408 0.173018 0.233211 O\n0.231459 0.441525 0.382006 O\n0.238481 0.166256 0.641145 O\n0.154503 0.531353 0.021031 O\n0.349439 0.779329 0.445731 O\n0.311259 0.870891 0.181211 O\n0.606631 0.746438 0.906163 O\n0.583374 0.875135 0.766213 O\n0.341339 0.221667 0.486828 O\n0.526141 0.615227 0.641952 O\n0.446515 0.024535 0.807646 O\n0.613106 0.368980 0.991583 O\n0.390998 0.554376 0.186985 O\n0.609002 0.445624 0.813015 O\n0.386894 0.631020 0.008417 O\n0.553485 0.975465 0.192354 O\n0.473859 0.384773 0.358048 O\n0.658661 0.778333 0.513172 O\n0.416626 0.124865 0.233787 O\n0.393369 0.253562 0.093837 O\n0.688741 0.129109 0.818789 O\n0.650561 0.220671 0.554269 O\n0.845497 0.468647 0.978969 O\n0.761519 0.833744 0.358855 O\n0.768541 0.558475 0.617994 O\n0.926592 0.826982 0.766789 O\n0.917821 0.946072 0.614837 O\n0.640862 0.312168 0.273423 O\n0.715594 0.018344 0.533646 O\n0.848572 0.992207 0.200293 O\n0.745269 0.632633 0.077947 O\n0.905444 0.274271 0.723332 O\n0.841900 0.199119 0.477633 O\n0.977529 0.087179 0.875518 O\n0.673894 0.081827 0.013298 O\n0.005106 0.341528 0.394156 O\n0.987964 0.341765 0.171195 O\n","nsites":72,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":4.26468259228348,"density_atomic":0.06404331877476273,"volume":1124.2390522143385,"volume_molar":9.403230306005188,"formula_full":"Li2 Bi8 P14 O48","formula_reduced":"LiBi4P7O24","formula_anonymous":"AB4C7D24","energy":-523.28884745,"energy_per_atom":-7.267900659027778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-490.31284745,"band_gap":3.8273,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0074129,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.152000Z","spacegroup":2},{"id":"mp-1225340","created_at":"2022-09-04T14:40:58.826877Z","structure_string":"Eu2 Cu1 Te4\n1.0\n4.470143 0.000000 0.000000\n0.000000 4.470143 0.000000\n0.000000 0.000000 10.102384\nEu Cu Te\n2 1 4\ndirect\n0.000000 0.500000 0.259403 Eu\n0.500000 0.000000 0.740597 Eu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.358577 Te\n0.000000 0.500000 0.641423 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n","nsites":7,"nelements":3,"elements":["Eu","Cu","Te"],"chemical_system":"Cu-Eu-Te","density":7.221286553265941,"density_atomic":0.03467618687301798,"volume":201.86763976193694,"volume_molar":17.366790593362246,"formula_full":"Eu2 Cu1 Te4","formula_reduced":"Eu2CuTe4","formula_anonymous":"AB2C4","energy":-45.96572357,"energy_per_atom":-6.566531938571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.27772357,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.5923879,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.737000Z","spacegroup":115},{"id":"mp-1245372","created_at":"2022-09-04T14:40:58.608769Z","structure_string":"Si16 Pd16 N32\n1.0\n5.333509 0.000000 0.000000\n0.000000 10.511710 0.000000\n0.000000 0.000000 12.740111\nSi Pd N\n16 16 32\ndirect\n0.745533 0.021421 0.193764 Si\n0.245533 0.478579 0.806236 Si\n0.254467 0.521421 0.306236 Si\n0.754467 0.978579 0.693764 Si\n0.254467 0.978579 0.806236 Si\n0.754467 0.521421 0.193764 Si\n0.745533 0.478579 0.693764 Si\n0.245533 0.021421 0.306236 Si\n0.661263 0.275868 0.070502 Si\n0.161263 0.224132 0.929498 Si\n0.338737 0.775868 0.429498 Si\n0.838737 0.724132 0.570502 Si\n0.338737 0.724132 0.929498 Si\n0.838737 0.775868 0.070502 Si\n0.661263 0.224132 0.570502 Si\n0.161263 0.275868 0.429498 Si\n0.755614 0.031456 0.445072 Pd\n0.255614 0.468544 0.554928 Pd\n0.244386 0.531456 0.054928 Pd\n0.744386 0.968544 0.945072 Pd\n0.244386 0.968544 0.554928 Pd\n0.744386 0.531456 0.445072 Pd\n0.755614 0.468544 0.945072 Pd\n0.255614 0.031456 0.054928 Pd\n0.614353 0.263650 0.330246 Pd\n0.114353 0.236350 0.669755 Pd\n0.385647 0.763650 0.169755 Pd\n0.885647 0.736350 0.830245 Pd\n0.385647 0.736350 0.669755 Pd\n0.885647 0.763650 0.330246 Pd\n0.614353 0.236350 0.830245 Pd\n0.114353 0.263650 0.169755 Pd\n0.573934 0.480643 0.302689 N\n0.073934 0.019357 0.697311 N\n0.426066 0.980643 0.197311 N\n0.926066 0.519357 0.802689 N\n0.426066 0.519357 0.697311 N\n0.926066 0.980643 0.302689 N\n0.573934 0.019357 0.802689 N\n0.073934 0.480643 0.197311 N\n0.456909 0.301312 0.487501 N\n0.956909 0.198688 0.512499 N\n0.543091 0.801312 0.012499 N\n0.043091 0.698688 0.987501 N\n0.543091 0.698688 0.512499 N\n0.043091 0.801312 0.487501 N\n0.456909 0.198688 0.987501 N\n0.956909 0.301312 0.012499 N\n0.592713 0.437523 0.092761 N\n0.092713 0.062477 0.907239 N\n0.407287 0.937523 0.407239 N\n0.907287 0.562477 0.592761 N\n0.407287 0.562477 0.907239 N\n0.907287 0.937523 0.092761 N\n0.592713 0.062477 0.592761 N\n0.092713 0.437523 0.407239 N\n0.735501 0.188297 0.182515 N\n0.235501 0.311703 0.817485 N\n0.264499 0.688297 0.317485 N\n0.764499 0.811703 0.682515 N\n0.264499 0.811703 0.817485 N\n0.764499 0.688297 0.182515 N\n0.735501 0.311703 0.682515 N\n0.235501 0.188297 0.317485 N\n","nsites":64,"nelements":3,"elements":["Si","Pd","N"],"chemical_system":"N-Pd-Si","density":6.045237103126338,"density_atomic":0.08960254782719382,"volume":714.2654037408565,"volume_molar":6.720948127071357,"formula_full":"Si16 Pd16 N32","formula_reduced":"SiPdN2","formula_anonymous":"ABC2","energy":-460.5929148,"energy_per_atom":-7.19676429375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-449.0409148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7789564,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.096000Z","spacegroup":61},{"id":"mp-766834","created_at":"2022-09-04T14:40:56.733129Z","structure_string":"Li7 Ti16 O32\n1.0\n5.922419 9.752811 0.000000\n-5.922419 9.752811 0.000000\n0.000000 0.007277 5.085871\nLi Ti O\n7 16 32\ndirect\n0.327861 0.327861 0.570928 Li\n0.926507 0.663467 0.437506 Li\n0.663467 0.926507 0.437506 Li\n0.173508 0.921704 0.063787 Li\n0.670453 0.420942 0.063093 Li\n0.921704 0.173508 0.063787 Li\n0.420942 0.670453 0.063093 Li\n0.740223 0.740223 0.978897 Ti\n0.486144 0.999564 0.973404 Ti\n0.240286 0.240286 0.999177 Ti\n0.999564 0.486144 0.973404 Ti\n0.240187 0.741770 0.521507 Ti\n0.741770 0.240187 0.521507 Ti\n0.490371 0.490371 0.530233 Ti\n0.992583 0.992583 0.515123 Ti\n0.507185 0.757881 0.480923 Ti\n0.258427 0.009245 0.491884 Ti\n0.009245 0.258427 0.491884 Ti\n0.757881 0.507185 0.480923 Ti\n0.003395 0.761093 0.010013 Ti\n0.510808 0.249705 0.030060 Ti\n0.249705 0.510808 0.030060 Ti\n0.761093 0.003395 0.010013 Ti\n0.670934 0.916520 0.805370 O\n0.172071 0.417018 0.803469 O\n0.417018 0.172071 0.803469 O\n0.916520 0.670934 0.805370 O\n0.175584 0.671782 0.804398 O\n0.924539 0.924539 0.793108 O\n0.418193 0.418193 0.789634 O\n0.671782 0.175584 0.804398 O\n0.427493 0.920905 0.698413 O\n0.174636 0.174636 0.701898 O\n0.673080 0.673080 0.700515 O\n0.920905 0.427493 0.698413 O\n0.420338 0.668423 0.695518 O\n0.171899 0.919267 0.696142 O\n0.919267 0.171899 0.696142 O\n0.668423 0.420338 0.695518 O\n0.828663 0.331193 0.291481 O\n0.331193 0.828663 0.291481 O\n0.080334 0.080334 0.292411 O\n0.580974 0.580974 0.288357 O\n0.082038 0.830433 0.282391 O\n0.830433 0.082038 0.282391 O\n0.579251 0.333065 0.287094 O\n0.333065 0.579251 0.287094 O\n0.328382 0.072010 0.199458 O\n0.831548 0.581475 0.209983 O\n0.072010 0.328382 0.199458 O\n0.581475 0.831548 0.209983 O\n0.830597 0.830597 0.214539 O\n0.332017 0.332017 0.202785 O\n0.079066 0.583463 0.201252 O\n0.583463 0.079066 0.201252 O\n","nsites":55,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":3.7489734790374,"density_atomic":0.09361348552900566,"volume":587.5221896631392,"volume_molar":6.43298422868153,"formula_full":"Li7 Ti16 O32","formula_reduced":"Li7Ti16O32","formula_anonymous":"A7B16C32","energy":-476.4314582999999,"energy_per_atom":-8.66239015090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-454.4474583,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9481135,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.128000Z","spacegroup":8}]}