{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10126","results":[{"id":"mp-556034","created_at":"2022-09-04T14:44:11.969831Z","structure_string":"C4 O8\n1.0\n4.915284 0.000000 0.000000\n0.000000 5.412887 0.000000\n0.000000 0.000000 7.232385\nC O\n4 8\ndirect\n0.500000 0.750000 0.859992 C\n0.000000 0.750000 0.359992 C\n0.000000 0.250000 0.640008 C\n0.500000 0.250000 0.140008 C\n0.694764 0.124042 0.139156 O\n0.305236 0.375958 0.139156 O\n0.805236 0.124042 0.639156 O\n0.194764 0.875958 0.360844 O\n0.194764 0.375958 0.639156 O\n0.805236 0.624042 0.360844 O\n0.694764 0.624042 0.860844 O\n0.305236 0.875958 0.860844 O\n","nsites":12,"nelements":2,"elements":["C","O"],"chemical_system":"C-O","density":1.5191351397899604,"density_atomic":0.062362301197052404,"volume":192.4239447496076,"volume_molar":9.656700673971667,"formula_full":"C4 O8","formula_reduced":"CO2","formula_anonymous":"AB2","energy":-97.54931858,"energy_per_atom":-8.129109881666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.05331858,"band_gap":6.676,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026178,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.895000Z","spacegroup":60},{"id":"mp-540284","created_at":"2022-09-04T14:44:11.974824Z","structure_string":"Cu1 P1 O4\n1.0\n-2.710501 2.710501 2.625048\n2.710501 -2.710501 2.625048\n2.710501 2.710501 -2.625048\nCu P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 P\n0.393283 0.948484 0.164352 O\n0.771069 0.606717 0.555201 O\n0.784132 0.228931 0.835648 O\n0.051516 0.215868 0.444799 O\n","nsites":6,"nelements":3,"elements":["Cu","P","O"],"chemical_system":"Cu-O-P","density":3.4121612742798355,"density_atomic":0.07777765881557605,"volume":77.14297513411933,"volume_molar":7.742764248380774,"formula_full":"Cu1 P1 O4","formula_reduced":"CuPO4","formula_anonymous":"ABC4","energy":-40.33415053,"energy_per_atom":-6.722358421666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.58615053,"band_gap":0.1258,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007213,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.117000Z","spacegroup":82},{"id":"mp-1220168","created_at":"2022-09-04T14:44:12.297299Z","structure_string":"Nd1 Ga3 Cu1\n1.0\n-2.098995 2.098995 5.310271\n2.098995 -2.098995 5.310271\n2.098995 2.098995 -5.310271\nNd Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.617315 0.617315 0.000000 Ga\n0.382685 0.382685 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n","nsites":5,"nelements":3,"elements":["Nd","Ga","Cu"],"chemical_system":"Cu-Ga-Nd","density":7.398452370329141,"density_atomic":0.053428197147037754,"volume":93.58354327846186,"volume_molar":11.271465408848984,"formula_full":"Nd1 Ga3 Cu1","formula_reduced":"NdGa3Cu","formula_anonymous":"ABC3","energy":-20.474977430000003,"energy_per_atom":-4.094995486,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.474977430000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002023,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.195000Z","spacegroup":119},{"id":"mp-17155","created_at":"2022-09-04T14:44:11.978517Z","structure_string":"La6 Ag2 Sn2 Se14\n1.0\n5.462128 -9.460683 0.000000\n5.462128 9.460683 0.000000\n0.000000 0.000000 6.329839\nLa Ag Sn Se\n6 2 2 14\ndirect\n0.866560 0.223491 0.617473 La\n0.643070 0.866560 0.117473 La\n0.223491 0.356930 0.117473 La\n0.776509 0.643070 0.617473 La\n0.356930 0.133440 0.617473 La\n0.133440 0.776509 0.117473 La\n0.000000 0.000000 0.554021 Ag\n0.000000 0.000000 0.054021 Ag\n0.666667 0.333333 0.199445 Sn\n0.333333 0.666667 0.699445 Sn\n0.666667 0.333333 0.800574 Se\n0.333333 0.666667 0.300574 Se\n0.166261 0.269616 0.592920 Se\n0.896645 0.166261 0.092920 Se\n0.269616 0.103355 0.092920 Se\n0.730384 0.896645 0.592920 Se\n0.103355 0.833739 0.592920 Se\n0.833739 0.730384 0.092920 Se\n0.574976 0.088767 0.371015 Se\n0.486208 0.574976 0.871015 Se\n0.425024 0.911233 0.871015 Se\n0.513792 0.425024 0.371015 Se\n0.911233 0.486208 0.371015 Se\n0.088767 0.513792 0.871015 Se\n","nsites":24,"nelements":4,"elements":["La","Ag","Sn","Se"],"chemical_system":"Ag-La-Se-Sn","density":6.071675524819941,"density_atomic":0.03668632576869455,"volume":654.1947032613405,"volume_molar":16.415219114525932,"formula_full":"La6 Ag2 Sn2 Se14","formula_reduced":"La3AgSnSe7","formula_anonymous":"ABC3D7","energy":-132.46204471,"energy_per_atom":-5.519251862916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.85404471,"band_gap":1.3004999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034042,"is_theoretical":false,"updated_at":"2021-11-28T01:36:34.542000Z","spacegroup":173},{"id":"mp-17544","created_at":"2022-09-04T14:44:11.981748Z","structure_string":"Ca4 Co8 O16\n1.0\n2.929712 0.000000 0.000000\n0.000000 8.801129 0.000000\n0.000000 0.000000 10.320131\nCa Co O\n4 8 16\ndirect\n0.750000 0.760841 0.663526 Ca\n0.250000 0.239159 0.336474 Ca\n0.750000 0.260841 0.836474 Ca\n0.250000 0.739159 0.163526 Ca\n0.750000 0.942874 0.888356 Co\n0.250000 0.057126 0.111644 Co\n0.750000 0.442874 0.611644 Co\n0.250000 0.557126 0.388356 Co\n0.750000 0.915844 0.402418 Co\n0.250000 0.084156 0.597582 Co\n0.750000 0.415844 0.097582 Co\n0.250000 0.584156 0.902418 Co\n0.750000 0.698162 0.343944 O\n0.250000 0.301838 0.656056 O\n0.750000 0.198162 0.156056 O\n0.250000 0.801838 0.843944 O\n0.750000 0.614557 0.023178 O\n0.250000 0.385443 0.976822 O\n0.750000 0.114557 0.476822 O\n0.250000 0.885443 0.523178 O\n0.750000 0.531935 0.788191 O\n0.250000 0.468065 0.211809 O\n0.750000 0.031935 0.711809 O\n0.250000 0.968065 0.288191 O\n0.750000 0.920832 0.072288 O\n0.250000 0.079168 0.927712 O\n0.750000 0.420832 0.427712 O\n0.250000 0.579168 0.572288 O\n","nsites":28,"nelements":3,"elements":["Ca","Co","O"],"chemical_system":"Ca-Co-O","density":5.53987592303289,"density_atomic":0.10522271530987762,"volume":266.1022376921264,"volume_molar":5.723232614046295,"formula_full":"Ca4 Co8 O16","formula_reduced":"Ca(CoO2)2","formula_anonymous":"AB2C4","energy":-196.85749379,"energy_per_atom":-7.030624778214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.76149379,"band_gap":1.6139,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003663,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.254000Z","spacegroup":62},{"id":"mp-729639","created_at":"2022-09-04T14:44:11.984841Z","structure_string":"Li2 Ni5 P4 O16\n1.0\n7.837838 0.000000 0.000000\n-2.740333 7.395681 0.000000\n-0.751608 -0.650742 5.100496\nLi Ni P O\n2 5 4 16\ndirect\n0.282533 0.628633 0.041530 Li\n0.717467 0.371367 0.958470 Li\n0.770217 0.101941 0.254939 Ni\n0.000000 0.000000 0.000000 Ni\n0.669995 0.634569 0.405838 Ni\n0.330005 0.365431 0.594162 Ni\n0.229783 0.898059 0.745061 Ni\n0.578975 0.852410 0.794442 P\n0.971395 0.359402 0.696693 P\n0.028605 0.640598 0.303307 P\n0.421025 0.147590 0.205558 P\n0.055016 0.645252 0.793779 O\n0.123827 0.208739 0.658901 O\n0.747023 0.901744 0.982698 O\n0.491344 0.110842 0.767607 O\n0.433362 0.654525 0.824980 O\n0.944984 0.354748 0.206221 O\n0.876173 0.791261 0.341099 O\n0.252977 0.098256 0.017302 O\n0.508656 0.889158 0.232393 O\n0.566638 0.345475 0.175020 O\n0.103937 0.769325 0.174069 O\n0.815237 0.345255 0.507009 O\n0.369297 0.275529 0.362801 O\n0.630703 0.724471 0.637199 O\n0.184763 0.654745 0.492991 O\n0.896063 0.230675 0.825931 O\n","nsites":27,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.8598209019272702,"density_atomic":0.09132231236339033,"volume":295.6561140563483,"volume_molar":6.594380501488682,"formula_full":"Li2 Ni5 P4 O16","formula_reduced":"Li2Ni5(PO4)4","formula_anonymous":"A2B4C5D16","energy":-139.63800647,"energy_per_atom":-5.171778017407407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.94100647000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.2649391,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.349000Z","spacegroup":2},{"id":"mp-781683","created_at":"2022-09-04T14:44:11.994505Z","structure_string":"Li4 Fe4 P8 H4 O28\n1.0\n6.607403 -0.122464 0.008753\n-0.991956 -0.160245 10.695280\n0.626399 -7.478392 0.216903\nLi Fe P H O\n4 4 8 4 28\ndirect\n0.116309 0.537240 0.316128 Li\n0.116448 0.037277 0.816221 Li\n0.883625 0.462756 0.683870 Li\n0.883630 0.962728 0.183881 Li\n0.351519 0.692177 0.589071 Fe\n0.648603 0.307996 0.410707 Fe\n0.351493 0.191759 0.089473 Fe\n0.648372 0.807832 0.910728 Fe\n0.159090 0.773781 0.993990 P\n0.159108 0.273772 0.494005 P\n0.840944 0.226265 0.006000 P\n0.840891 0.726227 0.505977 P\n0.389548 0.410152 0.766459 P\n0.389625 0.910160 0.266454 P\n0.610404 0.589837 0.233532 P\n0.610429 0.089849 0.733578 P\n0.164433 0.579527 0.925919 H\n0.164509 0.079523 0.425872 H\n0.835510 0.420510 0.074074 H\n0.835504 0.920485 0.574121 H\n0.086933 0.628826 0.023017 O\n0.086964 0.128813 0.522953 O\n0.913024 0.371233 0.976959 O\n0.913016 0.871189 0.477009 O\n0.016268 0.145529 0.028699 O\n0.016222 0.645497 0.528592 O\n0.983776 0.854531 0.971355 O\n0.983782 0.354511 0.471359 O\n0.238296 0.801872 0.182771 O\n0.238250 0.301828 0.682794 O\n0.761793 0.198142 0.817220 O\n0.761686 0.698158 0.317200 O\n0.276379 0.529541 0.755329 O\n0.276457 0.029556 0.255411 O\n0.723598 0.470466 0.244637 O\n0.723532 0.970434 0.744652 O\n0.331527 0.793453 0.842499 O\n0.331577 0.293483 0.342542 O\n0.668478 0.206571 0.157472 O\n0.668461 0.706524 0.657461 O\n0.393653 0.361516 0.957262 O\n0.393708 0.861490 0.457246 O\n0.606307 0.638465 0.042703 O\n0.606310 0.138501 0.542770 O\n0.407074 0.581103 0.352108 O\n0.407114 0.081135 0.852213 O\n0.592895 0.418893 0.647862 O\n0.592929 0.918886 0.147847 O\n","nsites":48,"nelements":5,"elements":["Li","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P","density":2.9936876567113537,"density_atomic":0.09099999636449368,"volume":527.4725485453822,"volume_molar":6.617737363283803,"formula_full":"Li4 Fe4 P8 H4 O28","formula_reduced":"LiFeP2HO7","formula_anonymous":"ABCD2E7","energy":-350.44380968,"energy_per_atom":-7.300912701666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.18380968,"band_gap":3.9745,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.157000Z","spacegroup":2},{"id":"mp-1190586","created_at":"2022-09-04T14:44:12.012637Z","structure_string":"Na4 B4 H16\n1.0\n6.071878 0.000000 0.000000\n0.000000 6.071878 0.000000\n0.000000 0.000000 6.071878\nNa B H\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.000000 B\n0.500000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.383261 0.383261 0.616739 H\n0.383261 0.616739 0.383261 H\n0.616739 0.383261 0.383261 H\n0.616739 0.616739 0.616739 H\n0.616427 0.116400 0.883600 H\n0.116400 0.116400 0.383573 H\n0.116400 0.616427 0.883600 H\n0.616427 0.883600 0.116400 H\n0.116400 0.883600 0.616427 H\n0.116400 0.383573 0.116400 H\n0.383573 0.116400 0.116400 H\n0.883600 0.116400 0.616427 H\n0.883600 0.616427 0.116400 H\n0.383573 0.883600 0.883600 H\n0.883600 0.883600 0.383573 H\n0.883600 0.383573 0.883600 H\n","nsites":24,"nelements":3,"elements":["Na","B","H"],"chemical_system":"B-H-Na","density":1.1225491234432048,"density_atomic":0.10721168733436198,"volume":223.8561913977811,"volume_molar":5.617056227478912,"formula_full":"Na4 B4 H16","formula_reduced":"NaBH4","formula_anonymous":"ABC4","energy":-96.7738028,"energy_per_atom":-4.032241783333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.9098028,"band_gap":6.6457,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006037,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.126000Z","spacegroup":215},{"id":"mp-1568146","created_at":"2022-09-04T14:44:12.018076Z","structure_string":"Li4 Mn4 Cr2 O12\n1.0\n5.116649 0.076337 0.000106\n-2.505307 4.462034 -0.000173\n0.000205 -0.000294 10.235839\nLi Mn Cr O\n4 4 2 12\ndirect\n0.126230 0.617765 0.747656 Li\n0.382264 0.873793 0.252339 Li\n0.626217 0.117756 0.752335 Li\n0.882338 0.373763 0.247641 Li\n0.164715 0.835294 0.499990 Mn\n0.338010 0.662171 0.999963 Mn\n0.664649 0.335379 0.999937 Mn\n0.837913 0.162060 0.499992 Mn\n0.997467 0.002207 0.000014 Cr\n0.497482 0.502263 0.500142 Cr\n0.001327 0.656656 0.099594 O\n0.955473 0.311594 0.888720 O\n0.188466 0.544463 0.388744 O\n0.455553 0.811542 0.611290 O\n0.165144 0.162454 0.595567 O\n0.337545 0.335047 0.095521 O\n0.665063 0.662490 0.904430 O\n0.343296 0.998660 0.900372 O\n0.837637 0.834904 0.404471 O\n0.501427 0.156587 0.400409 O\n0.843437 0.498601 0.599613 O\n0.688347 0.044552 0.111261 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","Cr","O"],"chemical_system":"Cr-Li-Mn-O","density":3.8298767858477403,"density_atomic":0.09335936608778699,"volume":235.64855806018565,"volume_molar":6.450494484224866,"formula_full":"Li4 Mn4 Cr2 O12","formula_reduced":"Li2Mn2CrO6","formula_anonymous":"AB2C2D6","energy":-169.68659075,"energy_per_atom":-7.713026852272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.77259075,"band_gap":1.2466,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0006101,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.464000Z","spacegroup":41},{"id":"mp-1047248","created_at":"2022-09-04T14:44:12.691518Z","structure_string":"Zn2 Ag4 O8\n1.0\n-3.214607 3.214607 4.357878\n3.214607 -3.214607 4.357878\n3.214607 3.214607 -4.357878\nZn Ag O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.375000 0.625000 0.250000 Ag\n0.375000 0.125000 0.750000 Ag\n0.875000 0.625000 0.250000 Ag\n0.375000 0.625000 0.750000 Ag\n0.671277 0.868472 0.323174 O\n0.131528 0.454702 0.802804 O\n0.651897 0.328723 0.197196 O\n0.204702 0.901897 0.823174 O\n0.098103 0.921277 0.302804 O\n0.618472 0.795298 0.697196 O\n0.545298 0.348103 0.676826 O\n0.078723 0.381528 0.176826 O\n","nsites":14,"nelements":3,"elements":["Zn","Ag","O"],"chemical_system":"Ag-O-Zn","density":6.3633722756300966,"density_atomic":0.07772078963142305,"volume":180.13198355797073,"volume_molar":7.748429716886466,"formula_full":"Zn2 Ag4 O8","formula_reduced":"Zn(AgO2)2","formula_anonymous":"AB2C4","energy":-62.700331600000005,"energy_per_atom":-4.4785951142857146,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.2043316,"band_gap":0.1054999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.75e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.622000Z","spacegroup":88},{"id":"mp-1180838","created_at":"2022-09-04T14:44:12.000969Z","structure_string":"Na16 V8 Co8 F56\n1.0\n3.736139 6.420064 0.000000\n-3.736139 6.420064 0.000000\n0.000000 4.317963 24.580151\nNa V Co F\n16 8 8 56\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.778253 0.221747 0.250000 Na\n0.221747 0.778253 0.750000 Na\n0.786050 0.707370 0.251864 Na\n0.292630 0.213950 0.248136 Na\n0.213950 0.292630 0.748136 Na\n0.707370 0.786050 0.751864 Na\n0.134524 0.117687 0.121708 Na\n0.882313 0.865476 0.378292 Na\n0.865476 0.882313 0.878292 Na\n0.117687 0.134524 0.621708 Na\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.246671 0.753329 0.250000 V\n0.753329 0.246671 0.750000 V\n0.635538 0.111987 0.125766 V\n0.888013 0.364462 0.374234 V\n0.364462 0.888013 0.874234 V\n0.111987 0.635538 0.625766 V\n0.630914 0.614229 0.127668 Co\n0.385771 0.369086 0.372332 Co\n0.369086 0.385771 0.872332 Co\n0.614229 0.630914 0.627668 Co\n0.133537 0.613130 0.126206 Co\n0.386870 0.866463 0.373794 Co\n0.866463 0.386870 0.873794 Co\n0.613130 0.133537 0.626206 Co\n0.738516 0.585272 0.046937 F\n0.414728 0.261484 0.453063 F\n0.261484 0.414728 0.953063 F\n0.585272 0.738516 0.546937 F\n0.527040 0.636353 0.209374 F\n0.363647 0.472960 0.290626 F\n0.472960 0.363647 0.790626 F\n0.636353 0.527040 0.709374 F\n0.730302 0.301350 0.142216 F\n0.698650 0.269698 0.357784 F\n0.269698 0.698650 0.857784 F\n0.301350 0.730302 0.642216 F\n0.536350 0.925052 0.110291 F\n0.074948 0.463650 0.389709 F\n0.463650 0.074948 0.889709 F\n0.925052 0.536350 0.610291 F\n0.137912 0.584817 0.045608 F\n0.415183 0.862088 0.454392 F\n0.862088 0.415183 0.954392 F\n0.584817 0.137912 0.545608 F\n0.134166 0.633437 0.206239 F\n0.366563 0.865834 0.293761 F\n0.865834 0.366563 0.793761 F\n0.633437 0.134166 0.706239 F\n0.936545 0.924162 0.109177 F\n0.075838 0.063455 0.390823 F\n0.063455 0.075838 0.890823 F\n0.924162 0.936545 0.609177 F\n0.334205 0.302167 0.141690 F\n0.697833 0.665795 0.358310 F\n0.665795 0.697833 0.858310 F\n0.302167 0.334205 0.641690 F\n0.906493 0.537039 0.153870 F\n0.462961 0.093507 0.346130 F\n0.093507 0.462961 0.846130 F\n0.537039 0.906493 0.653870 F\n0.358000 0.692845 0.099642 F\n0.307155 0.642000 0.400358 F\n0.642000 0.307155 0.900358 F\n0.692845 0.358000 0.599642 F\n0.129828 0.205517 0.032713 F\n0.794483 0.870172 0.467287 F\n0.870172 0.794483 0.967287 F\n0.205517 0.129828 0.532713 F\n0.972570 0.862013 0.291018 F\n0.137987 0.027430 0.208982 F\n0.027430 0.137987 0.708982 F\n0.862013 0.972570 0.791018 F\n0.636909 0.030923 0.205765 F\n0.969077 0.363091 0.294235 F\n0.363091 0.969077 0.794235 F\n0.030923 0.636909 0.705765 F\n0.636288 0.188775 0.045573 F\n0.811225 0.363712 0.454427 F\n0.363712 0.811225 0.954427 F\n0.188775 0.636288 0.545573 F\n","nsites":88,"nelements":4,"elements":["Na","V","Co","F"],"chemical_system":"Co-F-Na-V","density":3.25404901688465,"density_atomic":0.07462867776892414,"volume":1179.1713672387182,"volume_molar":8.069472674628651,"formula_full":"Na16 V8 Co8 F56","formula_reduced":"Na2VCoF7","formula_anonymous":"ABC2D7","energy":-511.4100843,"energy_per_atom":-5.811478230681818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-458.8340843,"band_gap":2.3694,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.835000Z","spacegroup":15},{"id":"mp-1220364","created_at":"2022-09-04T14:44:12.002865Z","structure_string":"Nb6 Si1 Sn1\n1.0\n5.236963 0.000000 0.000000\n0.000000 5.236963 0.000000\n0.000000 0.000000 5.236963\nNb Si Sn\n6 1 1\ndirect\n0.000000 0.500000 0.758745 Nb\n0.500000 0.241255 0.000000 Nb\n0.758745 0.000000 0.500000 Nb\n0.000000 0.500000 0.241255 Nb\n0.500000 0.758745 0.000000 Nb\n0.241255 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Sn\n","nsites":8,"nelements":3,"elements":["Nb","Si","Sn"],"chemical_system":"Nb-Si-Sn","density":8.141931305487384,"density_atomic":0.05569952227720737,"volume":143.62780276974934,"volume_molar":10.811835566611855,"formula_full":"Nb6 Si1 Sn1","formula_reduced":"Nb6SiSn","formula_anonymous":"ABC6","energy":-71.87120737,"energy_per_atom":-8.98390092125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.87120737,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3092932,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.182000Z","spacegroup":200}]}