{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=41","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=39","results":[{"id":"mp-14336","created_at":"2022-09-04T14:48:30.279178Z","structure_string":"Cs2 Ni3 Se4\n1.0\n0.000000 5.329607 7.524864\n3.125258 0.000000 7.524864\n3.125258 5.329607 0.000000\nCs Ni Se\n2 3 4\ndirect\n0.344358 0.344358 0.655642 Cs\n0.655642 0.655642 0.344358 Cs\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.933345 0.268100 0.731900 Se\n0.066655 0.731900 0.268100 Se\n0.731900 0.066655 0.933345 Se\n0.268100 0.933345 0.066655 Se\n","nsites":9,"nelements":3,"elements":["Cs","Ni","Se"],"chemical_system":"Cs-Ni-Se","density":5.0194311339302615,"density_atomic":0.035903170153974685,"volume":250.6742430098098,"volume_molar":16.77328418123912,"formula_full":"Cs2 Ni3 Se4","formula_reduced":"Cs2Ni3Se4","formula_anonymous":"A2B3C4","energy":-40.85823481,"energy_per_atom":-4.539803867777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.97023481000001,"band_gap":0.6160000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005275,"is_theoretical":false,"updated_at":"2021-11-28T01:39:57.316000Z","spacegroup":69},{"id":"mp-706252","created_at":"2022-09-04T14:48:31.718071Z","structure_string":"Li8 Fe40 O64\n1.0\n8.414081 -0.004909 -0.017322\n-0.004942 8.376634 -0.015388\n-0.033808 -0.029779 16.765603\nLi Fe O\n8 40 64\ndirect\n0.127107 0.622543 0.062820 Li\n0.122800 0.630441 0.564794 Li\n0.124449 0.871190 0.684456 Li\n0.132134 0.122189 0.316076 Li\n0.368794 0.123349 0.436287 Li\n0.372981 0.124608 0.934871 Li\n0.623705 0.627092 0.313924 Li\n0.621944 0.624796 0.811843 Li\n0.006789 0.506791 0.254218 Fe\n0.004236 0.498732 0.749605 Fe\n0.126074 0.371345 0.439246 Fe\n0.126767 0.871527 0.189932 Fe\n0.129685 0.373899 0.936268 Fe\n0.127090 0.125830 0.811666 Fe\n0.246127 0.742148 0.373704 Fe\n0.248526 0.744671 0.873279 Fe\n0.249031 0.250053 0.125318 Fe\n0.247126 0.246978 0.624454 Fe\n0.368030 0.871841 0.058993 Fe\n0.364740 0.877904 0.561301 Fe\n0.374234 0.624407 0.188184 Fe\n0.372429 0.626923 0.688573 Fe\n0.376998 0.370673 0.318187 Fe\n0.376984 0.372977 0.812600 Fe\n0.494680 0.506556 0.998541 Fe\n0.504492 0.504348 0.501497 Fe\n0.502790 0.003015 0.252324 Fe\n0.500411 0.006497 0.750890 Fe\n0.621983 0.873597 0.935361 Fe\n0.620937 0.877066 0.435570 Fe\n0.619160 0.127275 0.059345 Fe\n0.626129 0.127367 0.563399 Fe\n0.623572 0.382275 0.191126 Fe\n0.626758 0.373966 0.688037 Fe\n0.744614 0.745649 0.124244 Fe\n0.747945 0.745741 0.625050 Fe\n0.746796 0.243204 0.376528 Fe\n0.746349 0.245284 0.872003 Fe\n0.874767 0.625807 0.936263 Fe\n0.874965 0.622266 0.438039 Fe\n0.882648 0.377958 0.062361 Fe\n0.873166 0.374820 0.563432 Fe\n0.875198 0.873581 0.313179 Fe\n0.876263 0.872230 0.807971 Fe\n0.879236 0.124933 0.192580 Fe\n0.876767 0.125877 0.686305 Fe\n0.003792 0.007170 0.499364 Fe\n0.003006 0.005391 0.997756 Fe\n0.113592 0.606520 0.438043 O\n0.115063 0.608205 0.937093 O\n0.131659 0.875086 0.064994 O\n0.133487 0.880578 0.562613 O\n0.118847 0.371856 0.053790 O\n0.106711 0.368441 0.557351 O\n0.108210 0.874497 0.309300 O\n0.141972 0.631345 0.186464 O\n0.134116 0.622488 0.687926 O\n0.115615 0.892842 0.815734 O\n0.125461 0.144205 0.436912 O\n0.124627 0.140461 0.929553 O\n0.115008 0.114815 0.187725 O\n0.106810 0.133436 0.694806 O\n0.133408 0.373840 0.318680 O\n0.139241 0.362517 0.818108 O\n0.375426 0.633789 0.071599 O\n0.374403 0.633300 0.568185 O\n0.383974 0.873249 0.440139 O\n0.388473 0.869851 0.940683 O\n0.367699 0.862420 0.184688 O\n0.379415 0.866840 0.685512 O\n0.384459 0.115225 0.062884 O\n0.378928 0.379988 0.432891 O\n0.394892 0.119935 0.565595 O\n0.362952 0.378157 0.930126 O\n0.375116 0.615376 0.303991 O\n0.376757 0.605661 0.809359 O\n0.377767 0.138771 0.310942 O\n0.359803 0.140406 0.810334 O\n0.381262 0.387370 0.190622 O\n0.390697 0.376988 0.692856 O\n0.616945 0.882038 0.055343 O\n0.622014 0.892159 0.559624 O\n0.634232 0.639243 0.937825 O\n0.638609 0.635717 0.438007 O\n0.624544 0.110578 0.939779 O\n0.629297 0.115726 0.447721 O\n0.610159 0.616473 0.186530 O\n0.620485 0.605628 0.688211 O\n0.642589 0.876554 0.316459 O\n0.633885 0.882368 0.819915 O\n0.631641 0.368862 0.065147 O\n0.637117 0.363638 0.569867 O\n0.619082 0.374850 0.307972 O\n0.611673 0.367647 0.805177 O\n0.635409 0.136246 0.181853 O\n0.640323 0.137874 0.681930 O\n0.872527 0.867004 0.431154 O\n0.861211 0.869049 0.933820 O\n0.875285 0.614382 0.058625 O\n0.873594 0.607156 0.559762 O\n0.871703 0.640127 0.315876 O\n0.874660 0.634206 0.815955 O\n0.865088 0.133664 0.066239 O\n0.862096 0.139571 0.568942 O\n0.884773 0.379494 0.939152 O\n0.867962 0.382080 0.444240 O\n0.880764 0.878157 0.192866 O\n0.869424 0.893223 0.690515 O\n0.868620 0.371060 0.184474 O\n0.863133 0.361553 0.682355 O\n0.871419 0.109876 0.308231 O\n0.888684 0.120561 0.805172 O\n","nsites":112,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.6560373902083905,"density_atomic":0.09478202588819733,"volume":1181.6586420310598,"volume_molar":6.353673814804905,"formula_full":"Li8 Fe40 O64","formula_reduced":"LiFe5O8","formula_anonymous":"AB5C8","energy":-858.47511694,"energy_per_atom":-7.66495640125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-724.26711694,"band_gap":1.0368000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":200.0011661,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.241000Z","spacegroup":1},{"id":"mp-1078969","created_at":"2022-09-04T14:48:19.146792Z","structure_string":"Ba8 Nb4 V4 O24\n1.0\n8.249945 0.004188 -0.011531\n4.115041 -8.171927 4.120480\n0.011564 0.003592 -8.245345\nBa Nb V O\n8 4 4 24\ndirect\n0.376093 0.749534 0.124283 Ba\n0.125831 0.249513 0.875571 Ba\n0.874557 0.749566 0.625439 Ba\n0.624636 0.249623 0.374101 Ba\n0.625555 0.250466 0.874271 Ba\n0.373856 0.750507 0.624335 Ba\n0.123794 0.250450 0.376021 Ba\n0.875647 0.750398 0.126016 Ba\n0.000005 0.999989 0.499999 Nb\n0.749986 0.500016 0.250007 Nb\n0.500005 0.999993 0.999994 Nb\n0.250001 0.500000 0.750006 Nb\n0.500021 0.999957 0.499972 V\n0.250173 0.499659 0.249819 V\n0.749994 0.500017 0.750007 V\n0.999941 0.000112 0.000053 V\n0.000459 0.999827 0.252826 O\n0.750377 0.500151 0.004239 O\n0.500278 0.000134 0.752854 O\n0.249445 0.499776 0.504064 O\n0.875112 0.249798 0.624940 O\n0.625139 0.749827 0.374956 O\n0.375122 0.249698 0.124839 O\n0.125261 0.749620 0.874844 O\n0.754636 0.000027 0.500383 O\n0.503316 0.499913 0.249261 O\n0.254528 0.999861 0.000304 O\n0.003161 0.500036 0.750456 O\n0.999666 0.999949 0.747078 O\n0.749379 0.500321 0.495985 O\n0.499583 0.000174 0.247295 O\n0.250802 0.499734 0.995693 O\n0.124995 0.750073 0.375043 O\n0.874771 0.250322 0.125100 O\n0.624741 0.750466 0.875193 O\n0.374816 0.250255 0.625094 O\n0.245299 0.000116 0.499692 O\n0.996776 0.499893 0.250648 O\n0.745518 0.000016 0.999631 O\n0.496728 0.500214 0.749686 O\n","nsites":40,"nelements":4,"elements":["Ba","Nb","V","O"],"chemical_system":"Ba-Nb-O-V","density":6.147433808495763,"density_atomic":0.07195497664314433,"volume":555.9031753755852,"volume_molar":8.36931792760685,"formula_full":"Ba8 Nb4 V4 O24","formula_reduced":"Ba2NbVO6","formula_anonymous":"ABC2D6","energy":-335.620177,"energy_per_atom":-8.390504425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.332177,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0002321,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.235000Z","spacegroup":225},{"id":"mp-9983","created_at":"2022-09-04T14:48:31.227614Z","structure_string":"Ta4 Se6\n1.0\n3.427364 0.000000 0.000000\n0.000000 6.628628 0.000000\n0.000000 2.314831 9.018551\nTa Se\n4 6\ndirect\n0.250000 0.886335 0.634943 Ta\n0.750000 0.113665 0.365057 Ta\n0.250000 0.678197 0.000800 Ta\n0.750000 0.321803 0.999200 Ta\n0.250000 0.272191 0.513086 Se\n0.750000 0.727809 0.486914 Se\n0.250000 0.027743 0.157269 Se\n0.750000 0.972257 0.842731 Se\n0.750000 0.523490 0.205622 Se\n0.250000 0.476510 0.794378 Se\n","nsites":10,"nelements":2,"elements":["Ta","Se"],"chemical_system":"Se-Ta","density":9.705606075720505,"density_atomic":0.04880669014498739,"volume":204.88994378216475,"volume_molar":12.338760817646829,"formula_full":"Ta4 Se6","formula_reduced":"Ta2Se3","formula_anonymous":"A2B3","energy":-78.55300761,"energy_per_atom":-7.855300761,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.72100761,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002432,"is_theoretical":false,"updated_at":"2021-11-28T01:39:57.234000Z","spacegroup":11},{"id":"mp-1222803","created_at":"2022-09-04T14:48:30.413709Z","structure_string":"Li2 V1 Fe1 S4\n1.0\n1.692750 -2.931928 0.000000\n1.692750 2.931928 0.000000\n0.000000 0.000000 11.984657\nLi V Fe S\n2 1 1 4\ndirect\n0.000000 0.000000 0.758326 Li\n0.000000 0.000000 0.241674 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.900531 S\n0.666667 0.333333 0.383099 S\n0.333333 0.666667 0.616901 S\n0.333333 0.666667 0.099469 S\n","nsites":8,"nelements":4,"elements":["Li","V","Fe","S"],"chemical_system":"Fe-Li-S-V","density":3.474737420736266,"density_atomic":0.06724937597404715,"volume":118.96021166185031,"volume_molar":8.9549392433382,"formula_full":"Li2 V1 Fe1 S4","formula_reduced":"Li2VFeS4","formula_anonymous":"ABC2D4","energy":-47.03373937,"energy_per_atom":-5.87921742125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.02173937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8223658,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.225000Z","spacegroup":164},{"id":"mp-1020010","created_at":"2022-09-04T14:48:31.534367Z","structure_string":"Li4 Ca6 N12\n1.0\n4.036527 -7.111053 0.000000\n4.036527 7.111053 0.000000\n0.000000 0.000000 4.859586\nLi Ca N\n4 6 12\ndirect\n0.339328 0.660672 0.500000 Li\n0.339328 0.660672 0.000000 Li\n0.660672 0.339328 0.500000 Li\n0.660672 0.339328 0.000000 Li\n0.318378 0.318378 0.750000 Ca\n0.681622 0.681622 0.250000 Ca\n0.003341 0.678646 0.750000 Ca\n0.321354 0.996659 0.250000 Ca\n0.996659 0.321354 0.250000 Ca\n0.678646 0.003341 0.750000 Ca\n0.461100 0.113706 0.750000 N\n0.886294 0.538900 0.250000 N\n0.538900 0.886294 0.250000 N\n0.113706 0.461100 0.750000 N\n0.931557 0.334828 0.750000 N\n0.665172 0.068443 0.250000 N\n0.068443 0.665172 0.250000 N\n0.334828 0.931557 0.750000 N\n0.657991 0.565350 0.750000 N\n0.434650 0.342009 0.250000 N\n0.342009 0.434650 0.250000 N\n0.565350 0.657991 0.750000 N\n","nsites":22,"nelements":3,"elements":["Li","Ca","N"],"chemical_system":"Ca-Li-N","density":2.597021876848171,"density_atomic":0.07885906719608324,"volume":278.97869937133487,"volume_molar":7.636586348435918,"formula_full":"Li4 Ca6 N12","formula_reduced":"Li2Ca3N6","formula_anonymous":"A2B3C6","energy":-134.12700829,"energy_per_atom":-6.096682195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.79500829,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001163,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.147000Z","spacegroup":63},{"id":"mp-1112622","created_at":"2022-09-04T14:48:29.592412Z","structure_string":"Cs2 Sc1 Ag1 Cl6\n1.0\n0.000000 5.300767 5.300767\n5.300767 0.000000 5.300767\n5.300767 5.300767 0.000000\nCs Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.763047 0.236953 0.236953 Cl\n0.236953 0.236953 0.763047 Cl\n0.236953 0.763047 0.763047 Cl\n0.236953 0.763047 0.236953 Cl\n0.763047 0.236953 0.763047 Cl\n0.763047 0.763047 0.236953 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Sc","Ag","Cl"],"chemical_system":"Ag-Cl-Cs-Sc","density":3.5194533787495295,"density_atomic":0.03357019468031766,"volume":297.88328888849253,"volume_molar":17.93895095738246,"formula_full":"Cs2 Sc1 Ag1 Cl6","formula_reduced":"Cs2ScAgCl6","formula_anonymous":"ABC2D6","energy":-43.55944921,"energy_per_atom":-4.355944921,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.87544921,"band_gap":3.3916,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.144000Z","spacegroup":225},{"id":"mp-1246639","created_at":"2022-09-04T14:48:29.647109Z","structure_string":"Nb6 Pb6 N10\n1.0\n6.352991 -0.515037 0.285524\n-1.311630 7.846851 0.131540\n-1.627555 -2.840737 8.649471\nNb Pb N\n6 6 10\ndirect\n0.918095 0.301005 0.960744 Nb\n0.081905 0.698995 0.039256 Nb\n0.671197 0.984716 0.622186 Nb\n0.328803 0.015284 0.377814 Nb\n0.100599 0.924225 0.712799 Nb\n0.899401 0.075775 0.287201 Nb\n0.746798 0.454401 0.512031 Pb\n0.253202 0.545599 0.487969 Pb\n0.517855 0.792370 0.874603 Pb\n0.482145 0.207630 0.125397 Pb\n0.525839 0.650821 0.220961 Pb\n0.474161 0.349179 0.779039 Pb\n0.965626 0.129189 0.770137 N\n0.034374 0.870811 0.229863 N\n0.817541 0.787424 0.583420 N\n0.182459 0.212576 0.416580 N\n0.800308 0.518355 0.962940 N\n0.199692 0.481645 0.037060 N\n0.323158 0.949903 0.571037 N\n0.676842 0.050097 0.428963 N\n0.147306 0.817447 0.879432 N\n0.852694 0.182553 0.120568 N\n","nsites":22,"nelements":3,"elements":["Nb","Pb","N"],"chemical_system":"N-Nb-Pb","density":7.45051665650753,"density_atomic":0.05086281422523899,"volume":432.53603511941003,"volume_molar":11.839967669369956,"formula_full":"Nb6 Pb6 N10","formula_reduced":"Nb3Pb3N5","formula_anonymous":"A3B3C5","energy":-175.41610212,"energy_per_atom":-7.973459187272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.80610212,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027305,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.137000Z","spacegroup":2},{"id":"mp-1094149","created_at":"2022-09-04T14:48:15.689343Z","structure_string":"Na1 Ti2 Bi1 O6\n1.0\n2.746278 5.397791 0.000000\n-2.746278 5.397791 0.000000\n0.000000 2.120511 5.223493\nNa Ti Bi O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.231587 0.231587 0.399649 Ti\n0.768413 0.768413 0.600351 Ti\n0.000000 0.000000 0.000000 Bi\n0.176762 0.176762 0.146652 O\n0.823238 0.823238 0.853348 O\n0.121622 0.622619 0.350917 O\n0.377381 0.878378 0.649083 O\n0.878378 0.377381 0.649083 O\n0.622619 0.121622 0.350917 O\n","nsites":10,"nelements":4,"elements":["Na","Ti","Bi","O"],"chemical_system":"Bi-Na-O-Ti","density":4.543144701710186,"density_atomic":0.06457262245999358,"volume":154.864393283633,"volume_molar":9.326151750660365,"formula_full":"Na1 Ti2 Bi1 O6","formula_reduced":"NaTi2BiO6","formula_anonymous":"ABC2D6","energy":-78.88571879,"energy_per_atom":-7.888571879,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.76371879,"band_gap":2.8275,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002062,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.132000Z","spacegroup":12},{"id":"mp-22235","created_at":"2022-09-04T14:48:30.914758Z","structure_string":"Cs4 Mn2 Sn2 Te8\n1.0\n0.000000 7.845293 13.134420\n3.404676 0.000000 13.134420\n3.404676 7.845293 0.000000\nCs Mn Sn Te\n4 2 2 8\ndirect\n0.815729 0.815729 0.184271 Cs\n0.184271 0.184271 0.815729 Cs\n0.434271 0.434271 0.065729 Cs\n0.065729 0.065729 0.434271 Cs\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Sn\n0.410292 0.709707 0.785405 Te\n0.094596 0.785405 0.709707 Te\n0.785405 0.094596 0.410292 Te\n0.709707 0.410292 0.094596 Te\n0.839708 0.540293 0.464595 Te\n0.155404 0.464595 0.540293 Te\n0.464595 0.155404 0.839708 Te\n0.540293 0.839708 0.155404 Te\n","nsites":16,"nelements":4,"elements":["Cs","Mn","Sn","Te"],"chemical_system":"Cs-Mn-Sn-Te","density":4.4958556549292075,"density_atomic":0.022803112511967608,"volume":701.6585999653698,"volume_molar":26.409292840349927,"formula_full":"Cs4 Mn2 Sn2 Te8","formula_reduced":"Cs2MnSnTe4","formula_anonymous":"ABC2D4","energy":-68.12886125,"energy_per_atom":-4.258053828125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.75286125,"band_gap":0.3822000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9984947,"is_theoretical":false,"updated_at":"2021-11-28T01:39:57.123000Z","spacegroup":70},{"id":"mp-779485","created_at":"2022-09-04T14:48:31.319466Z","structure_string":"Li2 V4 P8 H4 O32\n1.0\n7.891227 0.000000 0.000000\n0.000000 7.757700 0.000000\n0.000000 3.846023 8.966271\nLi V P H O\n2 4 8 4 32\ndirect\n0.130774 0.401088 0.726146 Li\n0.630774 0.598912 0.273854 Li\n0.504937 0.245271 0.752738 V\n0.993113 0.762591 0.748768 V\n0.493113 0.237409 0.251232 V\n0.004937 0.754729 0.247262 V\n0.154913 0.017366 0.930897 P\n0.349628 0.516290 0.928332 P\n0.641050 0.977232 0.570104 P\n0.141050 0.022768 0.429896 P\n0.843908 0.487874 0.568754 P\n0.343908 0.512126 0.431246 P\n0.654913 0.982634 0.069103 P\n0.849628 0.483710 0.071668 P\n0.488472 0.740588 0.987595 H\n0.493248 0.735510 0.489188 H\n0.993248 0.264490 0.510812 H\n0.988472 0.259412 0.012405 H\n0.056845 0.195801 0.904656 O\n0.671907 0.114128 0.903586 O\n0.329763 0.063056 0.857987 O\n0.055837 0.898190 0.854378 O\n0.444532 0.698547 0.903655 O\n0.837025 0.611211 0.901227 O\n0.172243 0.565195 0.853409 O\n0.442988 0.400715 0.854471 O\n0.558172 0.094825 0.647271 O\n0.825923 0.925466 0.639572 O\n0.159464 0.888545 0.598856 O\n0.548439 0.799945 0.591094 O\n0.947281 0.596704 0.645834 O\n0.669748 0.433174 0.639261 O\n0.048439 0.200055 0.408906 O\n0.659464 0.111455 0.401144 O\n0.324665 0.389347 0.599518 O\n0.952391 0.309959 0.597569 O\n0.325923 0.074534 0.360428 O\n0.058172 0.905175 0.352729 O\n0.452391 0.690041 0.402431 O\n0.824665 0.610653 0.400482 O\n0.169748 0.566826 0.360739 O\n0.447281 0.403296 0.354166 O\n0.555837 0.101810 0.145622 O\n0.829763 0.936944 0.142013 O\n0.171907 0.885872 0.096414 O\n0.556845 0.804199 0.095344 O\n0.942988 0.599285 0.145529 O\n0.672243 0.434805 0.146591 O\n0.337025 0.388789 0.098773 O\n0.944532 0.301453 0.096345 O\n","nsites":50,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.969122996377117,"density_atomic":0.09109208147554124,"volume":548.8951310595015,"volume_molar":6.6110474834379325,"formula_full":"Li2 V4 P8 H4 O32","formula_reduced":"LiV2P4(HO8)2","formula_anonymous":"AB2C2D4E16","energy":-375.44938493,"energy_per_atom":-7.5089876986,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.66538493,"band_gap":0.6496999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995224,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.044000Z","spacegroup":4},{"id":"mp-1977728","created_at":"2022-09-04T14:48:31.118504Z","structure_string":"Na2 Nb2 O6\n1.0\n2.839647 3.944307 2.813119\n2.839647 -3.944307 -2.813119\n2.839647 3.944307 -2.813119\nNa Nb O\n2 2 6\ndirect\n0.005060 0.250000 0.744940 Na\n0.994940 0.750000 0.255060 Na\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.435678 0.750000 0.814322 O\n0.564322 0.250000 0.185678 O\n0.500000 0.716742 0.283258 O\n0.000000 0.783258 0.716742 O\n0.500000 0.283258 0.716742 O\n0.000000 0.216742 0.283258 O\n","nsites":10,"nelements":3,"elements":["Na","Nb","O"],"chemical_system":"Na-Nb-O","density":4.318768370504101,"density_atomic":0.07934450199245886,"volume":126.03267710912635,"volume_molar":7.589865219107889,"formula_full":"Na2 Nb2 O6","formula_reduced":"NaNbO3","formula_anonymous":"ABC3","energy":-80.72796319,"energy_per_atom":-8.072796319,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.60596319,"band_gap":1.6644,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006232,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.043000Z","spacegroup":74}]}