{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume_molar&page=91","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume_molar&page=89","results":[{"id":"mp-505185","created_at":"2022-09-04T14:41:19.236053Z","structure_string":"Na8 H64 O36\n1.0\n12.437709 0.000000 0.000000\n0.000000 6.526528 0.000000\n0.000000 2.789594 11.465974\nNa H O\n8 64 36\ndirect\n0.683351 0.580582 0.899592 Na\n0.183351 0.419418 0.600408 Na\n0.316649 0.419418 0.100408 Na\n0.816649 0.580582 0.399592 Na\n0.708668 0.407166 0.667075 Na\n0.208668 0.592834 0.832925 Na\n0.291332 0.592834 0.332925 Na\n0.791332 0.407166 0.167075 Na\n0.006585 0.133471 0.903306 H\n0.506585 0.866529 0.596694 H\n0.993415 0.866529 0.096694 H\n0.493415 0.133471 0.403306 H\n0.414147 0.014833 0.766586 H\n0.914147 0.985167 0.733414 H\n0.585853 0.985167 0.233414 H\n0.085853 0.014833 0.266586 H\n0.563826 0.424713 0.125998 H\n0.063826 0.575287 0.374002 H\n0.436174 0.575287 0.874002 H\n0.936174 0.424713 0.625998 H\n0.599740 0.219387 0.089690 H\n0.099740 0.780613 0.410310 H\n0.400260 0.780613 0.910310 H\n0.900260 0.219387 0.589690 H\n0.499489 0.571012 0.705239 H\n0.999489 0.428988 0.794761 H\n0.500511 0.428988 0.294761 H\n0.000511 0.571012 0.205239 H\n0.493430 0.336431 0.789714 H\n0.993430 0.663569 0.710286 H\n0.506570 0.663569 0.210286 H\n0.006570 0.336431 0.289714 H\n0.833976 0.224163 0.884996 H\n0.333976 0.775837 0.615004 H\n0.166024 0.775837 0.115004 H\n0.666024 0.224163 0.384996 H\n0.717356 0.112863 0.895254 H\n0.217356 0.887137 0.604746 H\n0.282644 0.887137 0.104746 H\n0.782644 0.112863 0.395254 H\n0.554801 0.965864 0.898182 H\n0.054801 0.034136 0.601818 H\n0.445199 0.034136 0.101818 H\n0.945199 0.965864 0.398182 H\n0.601485 0.903579 0.027025 H\n0.101485 0.096421 0.472975 H\n0.398515 0.096421 0.972975 H\n0.898515 0.903579 0.527025 H\n0.901351 0.479909 0.948674 H\n0.401351 0.520091 0.551326 H\n0.098649 0.520091 0.051326 H\n0.598649 0.479909 0.448674 H\n0.922691 0.663547 0.010166 H\n0.422691 0.336453 0.489834 H\n0.077309 0.336453 0.989834 H\n0.577309 0.663547 0.510166 H\n0.816629 0.796431 0.693217 H\n0.316629 0.203569 0.806783 H\n0.183371 0.203569 0.306783 H\n0.683371 0.796431 0.193217 H\n0.695699 0.870669 0.674847 H\n0.195699 0.129331 0.825153 H\n0.304301 0.129331 0.325153 H\n0.804301 0.870669 0.174847 H\n0.551978 0.103295 0.699803 H\n0.051978 0.896705 0.800197 H\n0.448022 0.896705 0.300197 H\n0.948022 0.103295 0.199803 H\n0.574110 0.155593 0.559025 H\n0.074110 0.844407 0.940975 H\n0.425890 0.844407 0.440975 H\n0.925890 0.155593 0.059025 H\n0.968236 0.248178 0.926318 O\n0.468236 0.751822 0.573682 O\n0.031764 0.751822 0.073682 O\n0.531764 0.248178 0.426318 O\n0.448617 0.082612 0.822370 O\n0.948617 0.917388 0.677630 O\n0.551383 0.917388 0.177630 O\n0.051383 0.082612 0.322370 O\n0.620118 0.367693 0.081276 O\n0.120118 0.632307 0.418724 O\n0.379882 0.632307 0.918724 O\n0.879882 0.367693 0.581276 O\n0.524450 0.481733 0.782083 O\n0.024450 0.518267 0.717917 O\n0.475550 0.518267 0.217917 O\n0.975550 0.481733 0.282083 O\n0.757587 0.243188 0.858561 O\n0.257587 0.756812 0.641439 O\n0.242413 0.756812 0.141439 O\n0.742413 0.243188 0.358561 O\n0.620055 0.905210 0.945266 O\n0.120055 0.094790 0.554734 O\n0.379945 0.094790 0.054734 O\n0.879945 0.905210 0.445266 O\n0.863301 0.587766 0.979065 O\n0.363301 0.412234 0.520935 O\n0.136699 0.412234 0.020935 O\n0.636699 0.587766 0.479065 O\n0.741255 0.744935 0.704783 O\n0.241255 0.255065 0.795217 O\n0.258745 0.255065 0.295217 O\n0.758745 0.744935 0.204783 O\n0.606394 0.095046 0.639592 O\n0.106394 0.904954 0.860408 O\n0.393606 0.904954 0.360408 O\n0.893606 0.095046 0.139592 O\n","nsites":108,"nelements":3,"elements":["Na","H","O"],"chemical_system":"H-Na-O","density":1.4708081044236212,"density_atomic":0.11603532037993432,"volume":930.7510820530829,"volume_molar":5.18992039689442,"formula_full":"Na8 H64 O36","formula_reduced":"Na2H16O9","formula_anonymous":"A2B9C16","energy":-551.19569006,"energy_per_atom":-5.103663796851851,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-526.46369006,"band_gap":4.533799999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.507000Z","spacegroup":14},{"id":"mp-1283454","created_at":"2022-09-04T14:39:13.274282Z","structure_string":"Li8 Ni4 O8 F4\n1.0\n-1.407235 2.472394 -0.012602\n-2.901437 -0.049809 -0.034820\n0.345097 0.056211 28.558830\nLi Ni O F\n8 4 8 4\ndirect\n0.666831 0.666534 0.333319 Li\n0.675295 0.660203 0.833195 Li\n0.663775 0.669552 0.083749 Li\n0.667162 0.667114 0.583029 Li\n0.332490 0.339132 0.165682 Li\n0.333108 0.339292 0.665107 Li\n0.991537 0.000961 0.001737 Li\n0.001162 0.994644 0.501021 Li\n0.333492 0.329239 0.917393 Ni\n0.000228 0.001994 0.249581 Ni\n0.334105 0.330589 0.417040 Ni\n0.003148 0.999683 0.749216 Ni\n0.690967 0.622066 0.454705 O\n0.620589 0.684183 0.955074 O\n0.643092 0.710561 0.211913 O\n0.644336 0.709562 0.711488 O\n0.356733 0.293337 0.287284 O\n0.362281 0.289753 0.787010 O\n0.977300 0.039229 0.379322 O\n0.046512 0.973367 0.879659 O\n0.325719 0.336858 0.042673 F\n0.336510 0.327435 0.541969 F\n0.995916 0.007993 0.124747 F\n0.997713 0.006720 0.624087 F\n","nsites":24,"nelements":4,"elements":["Li","Ni","O","F"],"chemical_system":"F-Li-Ni-O","density":3.9682717574392217,"density_atomic":0.11603295788863027,"volume":206.83778502859047,"volume_molar":5.190026066369969,"formula_full":"Li8 Ni4 O8 F4","formula_reduced":"Li2NiO2F","formula_anonymous":"ABC2D2","energy":-134.79839776,"energy_per_atom":-5.616599906666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.29039776000002,"band_gap":0.0552999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998558,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.414000Z","spacegroup":1},{"id":"mp-1979024","created_at":"2022-09-04T14:45:16.791972Z","structure_string":"Li14 Co10 O24\n1.0\n4.913611 -0.038711 -0.627247\n-0.776658 6.439943 7.243109\n0.797189 -6.516341 5.755145\nLi Co O\n14 10 24\ndirect\n0.500080 0.499968 0.333413 Li\n0.499260 0.999995 0.833830 Li\n0.251310 0.246070 0.832656 Li\n0.257795 0.752702 0.331321 Li\n0.749493 0.753290 0.832922 Li\n0.742871 0.247264 0.333321 Li\n0.249155 0.754141 0.998635 Li\n0.248175 0.255168 0.498711 Li\n0.249629 0.254688 0.167072 Li\n0.250579 0.754569 0.668988 Li\n0.750764 0.245513 0.998185 Li\n0.750264 0.744329 0.499207 Li\n0.750818 0.745306 0.168734 Li\n0.748220 0.246131 0.668388 Li\n0.000082 0.500049 0.833233 Co\n0.005794 0.001396 0.993873 Co\n0.994186 0.999308 0.673008 Co\n0.500412 0.998847 0.509953 Co\n0.500050 0.001226 0.157635 Co\n0.999176 0.998878 0.333468 Co\n0.002197 0.500118 0.494710 Co\n0.998427 0.499828 0.171928 Co\n0.499286 0.500184 0.998589 Co\n0.501040 0.499741 0.667743 Co\n0.369573 0.604767 0.834468 O\n0.366054 0.109952 0.324011 O\n0.630910 0.395455 0.832172 O\n0.636178 0.887860 0.342821 O\n0.901342 0.624501 0.334667 O\n0.892398 0.109725 0.830364 O\n0.098987 0.375473 0.332278 O\n0.106079 0.890598 0.836560 O\n0.345168 0.116848 0.000249 O\n0.374097 0.610996 0.523029 O\n0.371500 0.612202 0.146077 O\n0.354499 0.111508 0.655644 O\n0.643903 0.889631 0.011032 O\n0.627654 0.387784 0.520571 O\n0.626303 0.389118 0.144009 O\n0.654345 0.883599 0.665160 O\n0.861305 0.610315 0.991950 O\n0.864668 0.109779 0.513948 O\n0.864441 0.609323 0.676709 O\n0.866831 0.110949 0.153599 O\n0.136240 0.390823 0.989718 O\n0.134863 0.889736 0.513961 O\n0.138441 0.389932 0.674685 O\n0.135157 0.890417 0.152796 O\n","nsites":48,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.29705783628978,"density_atomic":0.11603261915903572,"volume":413.676777684477,"volume_molar":5.19004121741489,"formula_full":"Li14 Co10 O24","formula_reduced":"Li7Co5O12","formula_anonymous":"A5B7C12","energy":-297.65835791,"energy_per_atom":-6.201215789791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.79035791,"band_gap":0.1550000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4046311,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.489000Z","spacegroup":2},{"id":"mp-695866","created_at":"2022-09-04T14:46:55.338810Z","structure_string":"Be4 H32 N8 F16\n1.0\n5.855440 0.000000 0.000000\n0.000000 7.989255 0.000000\n0.000000 0.000000 11.054891\nBe H N F\n4 32 8 16\ndirect\n0.250000 0.943682 0.161286 Be\n0.250000 0.443682 0.338714 Be\n0.750000 0.056318 0.838714 Be\n0.750000 0.556318 0.661286 Be\n0.250000 0.546115 0.084812 H\n0.250000 0.046115 0.415188 H\n0.750000 0.453885 0.915188 H\n0.750000 0.953885 0.584812 H\n0.250000 0.240829 0.146905 H\n0.250000 0.740829 0.353095 H\n0.750000 0.759171 0.853095 H\n0.750000 0.259171 0.646905 H\n0.112472 0.158038 0.031494 H\n0.387528 0.658038 0.468506 H\n0.612472 0.841962 0.968506 H\n0.887528 0.341962 0.531494 H\n0.887528 0.841962 0.968506 H\n0.612472 0.341962 0.531494 H\n0.387528 0.158038 0.031494 H\n0.112472 0.658038 0.468506 H\n0.250000 0.502258 0.719545 H\n0.250000 0.002258 0.780455 H\n0.750000 0.497742 0.280455 H\n0.750000 0.997742 0.219545 H\n0.250000 0.488563 0.873319 H\n0.250000 0.988563 0.626681 H\n0.750000 0.511437 0.126681 H\n0.750000 0.011437 0.373319 H\n0.107780 0.344102 0.793799 H\n0.392220 0.844102 0.706201 H\n0.607780 0.655898 0.206201 H\n0.892220 0.155898 0.293799 H\n0.892220 0.655898 0.206201 H\n0.607780 0.155898 0.293799 H\n0.392220 0.344102 0.793799 H\n0.107780 0.844102 0.706201 H\n0.250000 0.141141 0.088522 N\n0.250000 0.641141 0.411478 N\n0.750000 0.858859 0.911478 N\n0.750000 0.358859 0.588522 N\n0.250000 0.420334 0.791540 N\n0.250000 0.920334 0.708460 N\n0.750000 0.579666 0.208460 N\n0.750000 0.079666 0.291540 N\n0.024055 0.349904 0.363739 F\n0.475945 0.849904 0.136261 F\n0.524055 0.650096 0.636261 F\n0.975945 0.150096 0.863739 F\n0.975945 0.650096 0.636261 F\n0.524055 0.150096 0.863739 F\n0.475945 0.349904 0.363739 F\n0.024055 0.849904 0.136261 F\n0.250000 0.979685 0.303597 F\n0.250000 0.479685 0.196403 F\n0.750000 0.020315 0.696403 F\n0.750000 0.520315 0.803597 F\n0.250000 0.588756 0.998280 F\n0.250000 0.088756 0.501720 F\n0.750000 0.411244 0.001720 F\n0.750000 0.911244 0.498280 F\n","nsites":60,"nelements":4,"elements":["Be","H","N","F"],"chemical_system":"Be-F-H-N","density":1.5551452398627585,"density_atomic":0.1160194940549922,"volume":517.1544703647866,"volume_molar":5.190628358666656,"formula_full":"Be4 H32 N8 F16","formula_reduced":"BeH8(NF2)2","formula_anonymous":"AB2C4D8","energy":-310.84420775,"energy_per_atom":-5.180736795833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.56420775,"band_gap":6.4265,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.519000Z","spacegroup":62},{"id":"mp-1017514","created_at":"2022-09-04T14:40:25.173746Z","structure_string":"Mg1 Si1 N2\n1.0\n4.965017 -1.425763 0.000000\n4.965017 1.425763 0.000000\n4.555593 0.000000 2.435317\nMg Si N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.763337 0.763337 0.763337 N\n0.236663 0.236663 0.236663 N\n","nsites":4,"nelements":3,"elements":["Mg","Si","N"],"chemical_system":"Mg-N-Si","density":3.8723324553577414,"density_atomic":0.11601293531154351,"volume":34.47891383196467,"volume_molar":5.190921808700056,"formula_full":"Mg1 Si1 N2","formula_reduced":"MgSiN2","formula_anonymous":"ABC2","energy":-27.98566892,"energy_per_atom":-6.99641723,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.26366892,"band_gap":4.1797,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.619000Z","spacegroup":166},{"id":"mp-1191245","created_at":"2022-09-04T14:42:45.850328Z","structure_string":"Lu6 H18\n1.0\n3.057289 -5.295379 0.000000\n3.057289 5.295379 0.000000\n0.000000 0.000000 6.389372\nLu H\n6 18\ndirect\n0.663277 0.000000 0.750000 Lu\n0.336723 0.336723 0.750000 Lu\n0.000000 0.663277 0.750000 Lu\n0.663277 0.663277 0.250000 Lu\n0.000000 0.336723 0.250000 Lu\n0.336723 0.000000 0.250000 Lu\n0.320540 0.972140 0.908138 H\n0.651599 0.679460 0.908138 H\n0.027860 0.348401 0.908138 H\n0.320540 0.348401 0.408138 H\n0.027860 0.679460 0.408138 H\n0.651599 0.972140 0.408138 H\n0.679460 0.027860 0.091862 H\n0.348401 0.320540 0.091862 H\n0.972140 0.651599 0.091862 H\n0.679460 0.651599 0.591862 H\n0.972140 0.320540 0.591862 H\n0.348401 0.027860 0.591862 H\n0.000000 0.000000 0.750000 H\n0.000000 0.000000 0.250000 H\n0.666667 0.333333 0.819907 H\n0.666667 0.333333 0.319907 H\n0.333333 0.666667 0.180093 H\n0.333333 0.666667 0.680093 H\n","nsites":24,"nelements":2,"elements":["Lu","H"],"chemical_system":"H-Lu","density":8.571883091866871,"density_atomic":0.11600842464869918,"volume":206.88152668806296,"volume_molar":5.191123643163381,"formula_full":"Lu6 H18","formula_reduced":"LuH3","formula_anonymous":"AB3","energy":-105.64064919999998,"energy_per_atom":-4.401693716666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.4186492,"band_gap":0.0156,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.57e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.338000Z","spacegroup":165},{"id":"mp-754458","created_at":"2022-09-04T14:44:12.027129Z","structure_string":"Li3 Cu1 Ni2 O6\n1.0\n1.468321 6.193944 0.000000\n-1.468321 6.193944 0.000000\n0.000000 1.472318 5.687671\nLi Cu Ni O\n3 1 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.168387 0.168387 0.164076 Li\n0.831613 0.831613 0.835924 Li\n0.500000 0.500000 0.000000 Cu\n0.168077 0.168077 0.668133 Ni\n0.831923 0.831923 0.331867 Ni\n0.662471 0.662471 0.904553 O\n0.324801 0.324801 0.576510 O\n0.337529 0.337529 0.095447 O\n0.989240 0.989240 0.243607 O\n0.010760 0.010760 0.756393 O\n0.675199 0.675199 0.423490 O\n","nsites":12,"nelements":4,"elements":["Li","Cu","Ni","O"],"chemical_system":"Cu-Li-Ni-O","density":4.779157346234617,"density_atomic":0.1159921233689985,"volume":103.45530068300542,"volume_molar":5.19185319234319,"formula_full":"Li3 Cu1 Ni2 O6","formula_reduced":"Li3Cu(NiO3)2","formula_anonymous":"AB2C3D6","energy":-68.36446766,"energy_per_atom":-5.697038971666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.16046766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0008976,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.582000Z","spacegroup":12},{"id":"mp-1222534","created_at":"2022-09-04T14:47:01.483625Z","structure_string":"Li4 Al1 Ni3 O8\n1.0\n19.230478 -1.439773 0.000000\n19.230478 1.439773 0.000000\n19.122683 0.000000 2.491429\nLi Al Ni O\n4 1 3 8\ndirect\n0.625285 0.625285 0.625285 Li\n0.875048 0.875048 0.875048 Li\n0.374715 0.374715 0.374715 Li\n0.124952 0.124952 0.124952 Li\n0.000000 0.000000 0.000000 Al\n0.749922 0.749922 0.749922 Ni\n0.500000 0.500000 0.500000 Ni\n0.250078 0.250078 0.250078 Ni\n0.935533 0.935533 0.935533 O\n0.185593 0.185593 0.185593 O\n0.684168 0.684168 0.684168 O\n0.435672 0.435672 0.435672 O\n0.315832 0.315832 0.315832 O\n0.564328 0.564328 0.564328 O\n0.064467 0.064467 0.064467 O\n0.814407 0.814407 0.814407 O\n","nsites":16,"nelements":4,"elements":["Li","Al","Ni","O"],"chemical_system":"Al-Li-Ni-O","density":4.318811608511611,"density_atomic":0.11597312702137573,"volume":137.9629954881784,"volume_molar":5.192703615631595,"formula_full":"Li4 Al1 Ni3 O8","formula_reduced":"Li4AlNi3O8","formula_anonymous":"AB3C4D8","energy":-98.33488714,"energy_per_atom":-6.14593044625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.21588714,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0058655,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.579000Z","spacegroup":166},{"id":"mp-1194536","created_at":"2022-09-04T14:46:24.293264Z","structure_string":"Ga2 Ni18 B16\n1.0\n3.557705 -4.060566 0.000000\n3.557705 4.060566 0.000000\n0.000000 0.000000 10.744282\nGa Ni B\n2 18 16\ndirect\n0.914462 0.085538 0.750000 Ga\n0.085538 0.914462 0.250000 Ga\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.710208 0.289792 0.919131 Ni\n0.289792 0.710208 0.080869 Ni\n0.710208 0.289792 0.580869 Ni\n0.289792 0.710208 0.419131 Ni\n0.397169 0.051790 0.750000 Ni\n0.051790 0.397169 0.250000 Ni\n0.602831 0.948210 0.250000 Ni\n0.948210 0.602831 0.750000 Ni\n0.622085 0.759427 0.885962 Ni\n0.759427 0.622085 0.114038 Ni\n0.622085 0.759427 0.614038 Ni\n0.759427 0.622085 0.385962 Ni\n0.377915 0.240573 0.114038 Ni\n0.240573 0.377915 0.885962 Ni\n0.377915 0.240573 0.385962 Ni\n0.240573 0.377915 0.614038 Ni\n0.564578 0.435422 0.750000 B\n0.435422 0.564578 0.250000 B\n0.351579 0.648421 0.750000 B\n0.648421 0.351579 0.250000 B\n0.779121 0.220879 0.380208 B\n0.220879 0.779121 0.619792 B\n0.779121 0.220879 0.119792 B\n0.220879 0.779121 0.880208 B\n0.383007 0.039877 0.948871 B\n0.039877 0.383007 0.051129 B\n0.383007 0.039877 0.551129 B\n0.039877 0.383007 0.448871 B\n0.616993 0.960123 0.051129 B\n0.960123 0.616993 0.948871 B\n0.616993 0.960123 0.448871 B\n0.960123 0.616993 0.551129 B\n","nsites":36,"nelements":3,"elements":["Ga","Ni","B"],"chemical_system":"B-Ga-Ni","density":7.322475613360831,"density_atomic":0.11596811515528262,"volume":310.43015532153464,"volume_molar":5.1929280319304025,"formula_full":"Ga2 Ni18 B16","formula_reduced":"GaNi9B8","formula_anonymous":"AB8C9","energy":-226.08629045,"energy_per_atom":-6.280174734722222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.08629045,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0184383,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.604000Z","spacegroup":63},{"id":"mp-770728","created_at":"2022-09-04T14:41:50.350276Z","structure_string":"Li18 Cr6 O24\n1.0\n5.787737 0.000000 0.000000\n0.000000 5.805351 0.000000\n0.000000 2.738098 12.318740\nLi Cr O\n18 6 24\ndirect\n0.498068 0.000000 0.000000 Li\n0.977086 0.000000 0.000000 Li\n0.216268 0.000000 0.500000 Li\n0.712666 0.000000 0.500000 Li\n0.734603 0.165136 0.167913 Li\n0.222889 0.175863 0.158326 Li\n0.959122 0.337862 0.332242 Li\n0.962652 0.154242 0.666337 Li\n0.470078 0.500000 0.000000 Li\n0.466611 0.172172 0.662224 Li\n0.723044 0.334872 0.830494 Li\n0.212584 0.500000 0.500000 Li\n0.723044 0.665128 0.169506 Li\n0.466611 0.827828 0.337776 Li\n0.962652 0.845758 0.333663 Li\n0.959122 0.662138 0.667758 Li\n0.222889 0.824137 0.841674 Li\n0.734603 0.834864 0.832087 Li\n0.458705 0.305736 0.331466 Cr\n0.945784 0.500000 0.000000 Cr\n0.222972 0.304063 0.832320 Cr\n0.735630 0.500000 0.500000 Cr\n0.222972 0.695937 0.167680 Cr\n0.458705 0.694264 0.668534 Cr\n0.694139 0.105121 0.328654 O\n0.742233 0.268731 0.004759 O\n0.234160 0.102670 0.337907 O\n0.461333 0.426913 0.180567 O\n0.989863 0.102791 0.828879 O\n0.940189 0.270213 0.504653 O\n0.992000 0.434805 0.153411 O\n0.448818 0.102056 0.838828 O\n0.470546 0.275111 0.486915 O\n0.210797 0.722553 0.013180 O\n0.688662 0.564573 0.346684 O\n0.221477 0.574490 0.318765 O\n0.221477 0.425510 0.681235 O\n0.688662 0.435427 0.653316 O\n0.210797 0.277447 0.986820 O\n0.470546 0.724889 0.513085 O\n0.448818 0.897944 0.161172 O\n0.992000 0.565195 0.846589 O\n0.940189 0.729787 0.495347 O\n0.989863 0.897209 0.171121 O\n0.461333 0.573087 0.819433 O\n0.234160 0.897330 0.662093 O\n0.742233 0.731269 0.995241 O\n0.694139 0.894879 0.671346 O\n","nsites":48,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":3.2933349173659145,"density_atomic":0.11596786912155808,"volume":413.9077518936402,"volume_molar":5.192939049080537,"formula_full":"Li18 Cr6 O24","formula_reduced":"Li3CrO4","formula_anonymous":"AB3C4","energy":-312.43162782,"energy_per_atom":-6.50899224625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.94962782,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9086425,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.669000Z","spacegroup":3},{"id":"mp-1194835","created_at":"2022-09-04T14:48:02.105289Z","structure_string":"Cr2 H24 N6 O16\n1.0\n-4.972740 -4.911444 0.000000\n-4.972740 4.911444 0.000000\n0.000000 0.000000 -8.473707\nCr H N O\n2 24 6 16\ndirect\n0.748592 0.251408 0.823148 Cr\n0.251408 0.748592 0.323148 Cr\n0.631406 0.787716 0.500192 H\n0.212284 0.368594 0.500192 H\n0.368594 0.212284 0.000192 H\n0.787716 0.631406 0.000192 H\n0.747374 0.875868 0.657987 H\n0.124132 0.252626 0.657987 H\n0.252626 0.124132 0.157987 H\n0.875868 0.747374 0.157987 H\n0.872700 0.739259 0.528305 H\n0.260741 0.127300 0.528305 H\n0.127300 0.260741 0.028305 H\n0.739259 0.872700 0.028305 H\n0.702935 0.634510 0.641397 H\n0.365490 0.297065 0.641397 H\n0.297065 0.365490 0.141397 H\n0.634510 0.702935 0.141397 H\n0.179532 0.820468 0.893389 H\n0.820468 0.179532 0.393389 H\n0.234898 0.594811 0.840229 H\n0.405189 0.765102 0.840229 H\n0.765102 0.405189 0.340229 H\n0.594811 0.234898 0.340229 H\n0.232812 0.767188 0.702891 H\n0.767188 0.232812 0.202891 H\n0.737681 0.760176 0.581897 N\n0.239824 0.262319 0.581897 N\n0.262319 0.239824 0.081897 N\n0.760176 0.737681 0.081897 N\n0.262633 0.737367 0.819427 N\n0.737367 0.262633 0.319427 N\n0.550252 0.449748 0.861323 O\n0.449748 0.550252 0.361323 O\n0.948136 0.451073 0.836404 O\n0.548927 0.051864 0.836404 O\n0.051864 0.548927 0.336404 O\n0.451073 0.948136 0.336404 O\n0.943197 0.056803 0.767988 O\n0.056803 0.943197 0.267988 O\n0.908616 0.354548 0.984437 O\n0.645452 0.091384 0.984437 O\n0.091384 0.645452 0.484437 O\n0.354548 0.908616 0.484437 O\n0.851614 0.148386 0.633056 O\n0.148386 0.851614 0.133056 O\n0.586647 0.413353 0.695381 O\n0.413353 0.586647 0.195381 O\n","nsites":48,"nelements":4,"elements":["Cr","H","N","O"],"chemical_system":"Cr-H-N-O","density":1.8783845657535496,"density_atomic":0.11596657995701962,"volume":413.9123531778734,"volume_molar":5.192996777374972,"formula_full":"Cr2 H24 N6 O16","formula_reduced":"CrH12N3O8","formula_anonymous":"AB3C8D12","energy":-257.75633889,"energy_per_atom":-5.369923726875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.01633889,"band_gap":1.8408,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0034097,"is_theoretical":false,"updated_at":"2021-11-28T01:38:24.632000Z","spacegroup":36},{"id":"mp-1101935","created_at":"2022-09-04T14:48:25.398359Z","structure_string":"Li4 Mg1 H3 N3\n1.0\n0.000000 3.689450 0.000000\n0.000000 0.000000 4.803923\n5.352113 -1.844725 -2.401961\nLi Mg H N\n4 1 3 3\ndirect\n0.672069 0.670707 0.344138 Li\n0.327931 0.326569 0.655862 Li\n0.319167 0.818207 0.638334 Li\n0.680833 0.179873 0.361666 Li\n0.000000 0.474915 0.000000 Mg\n0.500000 0.058974 0.000000 H\n0.106720 0.009121 0.213440 H\n0.893280 0.795681 0.786560 H\n0.500000 0.273078 0.000000 N\n0.167248 0.901685 0.334496 N\n0.832752 0.567190 0.665504 N\n","nsites":11,"nelements":4,"elements":["Li","Mg","H","N"],"chemical_system":"H-Li-Mg-N","density":1.699977484016624,"density_atomic":0.11596041053269003,"volume":94.8599608217067,"volume_molar":5.193273059603663,"formula_full":"Li4 Mg1 H3 N3","formula_reduced":"Li4Mg(HN)3","formula_anonymous":"AB3C3D4","energy":-51.6009579,"energy_per_atom":-4.690996172727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.5179579,"band_gap":2.9272,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.84e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:41.551000Z","spacegroup":44}]}