{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10245","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10243","results":[{"id":"mp-761069","created_at":"2022-09-04T14:40:13.763503Z","structure_string":"Li16 Cr8 P16 O56\n1.0\n9.869514 0.000000 0.000000\n0.000000 9.914487 0.000000\n0.000000 2.422304 11.156741\nLi Cr P O\n16 8 16 56\ndirect\n0.720007 0.610003 0.554168 Li\n0.423907 0.670373 0.453265 Li\n0.107665 0.584979 0.973681 Li\n0.911959 0.841206 0.041410 Li\n0.411959 0.658794 0.958590 Li\n0.607665 0.915021 0.026319 Li\n0.923907 0.829627 0.546735 Li\n0.220007 0.889997 0.445832 Li\n0.779993 0.110003 0.554168 Li\n0.076093 0.170373 0.453265 Li\n0.392335 0.084979 0.973681 Li\n0.588041 0.341206 0.041410 Li\n0.088041 0.158794 0.958590 Li\n0.892335 0.415021 0.026319 Li\n0.576093 0.329627 0.546735 Li\n0.279993 0.389997 0.445832 Li\n0.925410 0.700627 0.327597 Cr\n0.215615 0.768507 0.172544 Cr\n0.715615 0.731493 0.827456 Cr\n0.425410 0.799373 0.672403 Cr\n0.574590 0.200627 0.327597 Cr\n0.284385 0.268507 0.172544 Cr\n0.784385 0.231493 0.827456 Cr\n0.074590 0.299373 0.672403 Cr\n0.450595 0.528847 0.238010 P\n0.701850 0.618924 0.104652 P\n0.937954 0.559218 0.754940 P\n0.155278 0.625135 0.576073 P\n0.655278 0.874865 0.423927 P\n0.437954 0.940782 0.245060 P\n0.049405 0.028847 0.238010 P\n0.201850 0.881076 0.895348 P\n0.798150 0.118924 0.104652 P\n0.950595 0.971153 0.761990 P\n0.562046 0.059218 0.754940 P\n0.344722 0.125135 0.576073 P\n0.844722 0.374865 0.423927 P\n0.062046 0.440782 0.245060 P\n0.298150 0.381076 0.895348 P\n0.549405 0.471153 0.761990 P\n0.415664 0.524471 0.368250 O\n0.837143 0.521145 0.445861 O\n0.079104 0.583223 0.275897 O\n0.358745 0.621209 0.145388 O\n0.600330 0.594432 0.220561 O\n0.827706 0.682487 0.147189 O\n0.627932 0.722557 0.001416 O\n0.279947 0.519670 0.928479 O\n0.085834 0.617655 0.706060 O\n0.939654 0.559582 0.887019 O\n0.541188 0.619511 0.788913 O\n0.297094 0.686664 0.584716 O\n0.830470 0.663443 0.688298 O\n0.070909 0.728977 0.486421 O\n0.570909 0.771023 0.513579 O\n0.330470 0.836557 0.311702 O\n0.797094 0.813336 0.415284 O\n0.041188 0.880489 0.211087 O\n0.585834 0.882345 0.293940 O\n0.439654 0.940418 0.112981 O\n0.779947 0.980330 0.071521 O\n0.127932 0.777443 0.998584 O\n0.327706 0.817513 0.852811 O\n0.100330 0.905568 0.779439 O\n0.579104 0.916777 0.724103 O\n0.858745 0.878791 0.854612 O\n0.084336 0.024471 0.368250 O\n0.337143 0.978855 0.554139 O\n0.662857 0.021145 0.445861 O\n0.915664 0.975529 0.631750 O\n0.141255 0.121209 0.145388 O\n0.420896 0.083223 0.275897 O\n0.899670 0.094432 0.220561 O\n0.672294 0.182487 0.147189 O\n0.872068 0.222557 0.001416 O\n0.220053 0.019670 0.928479 O\n0.560346 0.059582 0.887019 O\n0.414166 0.117655 0.706060 O\n0.958812 0.119511 0.788913 O\n0.202906 0.186664 0.584716 O\n0.669530 0.163443 0.688298 O\n0.429091 0.228977 0.486421 O\n0.929091 0.271023 0.513579 O\n0.169530 0.336557 0.311702 O\n0.702906 0.313336 0.415284 O\n0.458812 0.380489 0.211087 O\n0.060346 0.440418 0.112981 O\n0.914166 0.382345 0.293940 O\n0.720053 0.480330 0.071521 O\n0.372068 0.277443 0.998584 O\n0.172294 0.317513 0.852811 O\n0.399670 0.405568 0.779439 O\n0.641255 0.378791 0.854612 O\n0.920896 0.416777 0.724103 O\n0.162857 0.478855 0.554139 O\n0.584336 0.475529 0.631750 O\n","nsites":96,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.918258072605526,"density_atomic":0.08793623488772229,"volume":1091.7001407050643,"volume_molar":6.848304078164273,"formula_full":"Li16 Cr8 P16 O56","formula_reduced":"Li2CrP2O7","formula_anonymous":"AB2C2D7","energy":-711.51038191,"energy_per_atom":-7.411566478229166,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-657.04638191,"band_gap":2.3913,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002159,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.478000Z","spacegroup":14},{"id":"mp-736245","created_at":"2022-09-04T14:40:13.766419Z","structure_string":"La2 S8 N10 O32\n1.0\n-8.297029 0.000000 0.000000\n-3.508757 -8.810349 0.000000\n-4.108535 -0.012419 11.572674\nLa S N O\n2 8 10 32\ndirect\n0.577976 0.749861 0.844048 La\n0.422024 0.250139 0.155952 La\n0.394950 0.119062 0.878268 S\n0.605050 0.880938 0.121732 S\n0.386089 0.832563 0.646492 S\n0.613911 0.167437 0.353508 S\n0.726275 0.380491 0.878584 S\n0.273725 0.619509 0.121416 S\n0.965908 0.668087 0.647619 S\n0.034092 0.331913 0.352381 S\n0.196086 0.248529 0.610890 N\n0.803914 0.751471 0.389110 N\n0.169768 0.521080 0.865632 N\n0.830232 0.478920 0.134368 N\n0.962405 0.980780 0.866638 N\n0.037595 0.019220 0.133362 N\n0.603236 0.442208 0.610247 N\n0.396764 0.557792 0.389753 N\n0.787631 0.056662 0.609616 N\n0.212369 0.943338 0.390384 N\n0.593078 0.021068 0.847241 O\n0.406922 0.978932 0.152759 O\n0.341906 0.205497 0.985095 O\n0.658094 0.794503 0.014905 O\n0.361362 0.227435 0.783949 O\n0.638638 0.772565 0.216051 O\n0.291084 0.014467 0.897340 O\n0.708916 0.985533 0.102660 O\n0.349277 0.736676 0.750267 O\n0.650723 0.263324 0.249733 O\n0.215032 0.953165 0.634829 O\n0.784968 0.046835 0.365171 O\n0.451299 0.746549 0.536775 O\n0.548701 0.253451 0.463225 O\n0.521574 0.894215 0.654982 O\n0.478426 0.105785 0.345018 O\n0.559983 0.478539 0.846155 O\n0.440017 0.521461 0.153845 O\n0.671596 0.294579 0.985385 O\n0.328404 0.705421 0.014615 O\n0.810801 0.484895 0.898620 O\n0.189199 0.515105 0.101380 O\n0.854330 0.272379 0.784403 O\n0.145670 0.727621 0.215597 O\n0.899552 0.762431 0.752159 O\n0.100448 0.237569 0.247841 O\n0.009693 0.756055 0.538817 O\n0.990307 0.243945 0.461183 O\n0.148563 0.547484 0.634690 O\n0.851437 0.452516 0.365310 O\n0.822412 0.606392 0.655272 O\n0.177588 0.393608 0.344728 O\n","nsites":52,"nelements":4,"elements":["La","S","N","O"],"chemical_system":"La-N-O-S","density":2.328750779971455,"density_atomic":0.061468682406876564,"volume":845.9592423959734,"volume_molar":9.797087759483675,"formula_full":"La2 S8 N10 O32","formula_reduced":"LaS4N5O16","formula_anonymous":"AB4C5D16","energy":-305.69884762,"energy_per_atom":-5.878823992692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.71484762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9988249,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.894000Z","spacegroup":15},{"id":"mp-567718","created_at":"2022-09-04T14:40:13.767798Z","structure_string":"K6 Ti6 Br18\n1.0\n6.699908 -11.604581 0.000000\n6.699908 11.604581 0.000000\n0.000000 0.000000 5.928911\nK Ti Br\n6 6 18\ndirect\n0.356728 0.999092 0.521713 K\n0.642364 0.643272 0.521713 K\n0.999092 0.642364 0.021713 K\n0.000908 0.357636 0.521713 K\n0.643272 0.000908 0.021713 K\n0.357636 0.356728 0.021713 K\n0.333333 0.666667 0.802233 Ti\n0.333333 0.666667 0.241134 Ti\n0.666667 0.333333 0.302233 Ti\n0.000000 0.000000 0.017242 Ti\n0.000000 0.000000 0.517242 Ti\n0.666667 0.333333 0.741134 Ti\n0.332105 0.838050 0.020787 Br\n0.667895 0.161950 0.520787 Br\n0.504284 0.171932 0.022401 Br\n0.495716 0.828068 0.522401 Br\n0.191350 0.096264 0.767429 Br\n0.828068 0.332353 0.022401 Br\n0.494055 0.332105 0.520787 Br\n0.505945 0.667895 0.020787 Br\n0.096264 0.904914 0.267429 Br\n0.171932 0.667647 0.522401 Br\n0.808650 0.903736 0.267429 Br\n0.161950 0.494055 0.020787 Br\n0.095086 0.191350 0.267429 Br\n0.903736 0.095086 0.767429 Br\n0.838050 0.505945 0.520787 Br\n0.904914 0.808650 0.767429 Br\n0.667647 0.495716 0.022401 Br\n0.332353 0.504284 0.522401 Br\n","nsites":30,"nelements":3,"elements":["K","Ti","Br"],"chemical_system":"Br-K-Ti","density":3.5303362740080293,"density_atomic":0.03254003565530471,"volume":921.9412147481581,"volume_molar":18.50686589219599,"formula_full":"K6 Ti6 Br18","formula_reduced":"KTiBr3","formula_anonymous":"ABC3","energy":-133.56120286,"energy_per_atom":-4.4520400953333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.94920286,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.8195294,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.630000Z","spacegroup":173},{"id":"mp-1025834","created_at":"2022-09-04T14:40:13.769389Z","structure_string":"Te2 Mo1 W2 Se4\n1.0\n1.700803 -2.945877 0.000000\n1.700803 2.945877 0.000000\n0.000000 0.000000 31.440090\nTe Mo W Se\n2 1 2 4\ndirect\n0.333333 0.666667 0.518457 Te\n0.333333 0.666667 0.638169 Te\n0.000000 0.000000 0.115656 Mo\n0.000000 0.000000 0.578324 W\n0.333333 0.666667 0.346966 W\n0.000000 0.000000 0.399567 Se\n0.333333 0.666667 0.063166 Se\n0.333333 0.666667 0.168158 Se\n0.000000 0.000000 0.294377 Se\n","nsites":9,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.453362380826355,"density_atomic":0.028566702390714578,"volume":315.05211476300434,"volume_molar":21.080979798205405,"formula_full":"Te2 Mo1 W2 Se4","formula_reduced":"Te2Mo(WSe2)2","formula_anonymous":"AB2C2D4","energy":-63.45443557,"energy_per_atom":-7.050492841111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.72243557,"band_gap":0.6346000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043958,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.778000Z","spacegroup":156},{"id":"mp-24171","created_at":"2022-09-04T14:40:13.771754Z","structure_string":"Sr4 P4 H12 O16\n1.0\n7.157886 0.000000 0.000000\n0.000000 7.688412 0.000000\n0.000000 2.611258 7.815690\nSr P H O\n4 4 12 16\ndirect\n0.359685 0.626466 0.654025 Sr\n0.859685 0.373534 0.845975 Sr\n0.640315 0.373534 0.345975 Sr\n0.140315 0.626466 0.154025 Sr\n0.348823 0.272144 0.005013 P\n0.848823 0.727856 0.494987 P\n0.651177 0.727856 0.994987 P\n0.151177 0.272144 0.505013 P\n0.260944 0.111213 0.995689 H\n0.760944 0.888787 0.504311 H\n0.739056 0.888787 0.004311 H\n0.239056 0.111213 0.495689 H\n0.394003 0.995838 0.298444 H\n0.894003 0.004162 0.201556 H\n0.605997 0.004162 0.701556 H\n0.105997 0.995838 0.798444 H\n0.547000 0.191894 0.727669 H\n0.047000 0.808106 0.772331 H\n0.453000 0.808106 0.272331 H\n0.953000 0.191894 0.227669 H\n0.200392 0.427440 0.957665 O\n0.116267 0.859986 0.850909 O\n0.883733 0.140014 0.149091 O\n0.383733 0.859986 0.350909 O\n0.996624 0.320585 0.366194 O\n0.496624 0.679415 0.133806 O\n0.003376 0.679415 0.633806 O\n0.503376 0.320585 0.866194 O\n0.077828 0.227746 0.688262 O\n0.577828 0.772254 0.811738 O\n0.922172 0.772254 0.311738 O\n0.422172 0.227746 0.188262 O\n0.799608 0.572560 0.042335 O\n0.299608 0.427440 0.457665 O\n0.616267 0.140014 0.649091 O\n0.700392 0.572560 0.542335 O\n","nsites":36,"nelements":4,"elements":["Sr","P","H","O"],"chemical_system":"H-O-P-Sr","density":2.8663804549709337,"density_atomic":0.08369774364556981,"volume":430.1191218779708,"volume_molar":7.195105265324267,"formula_full":"Sr4 P4 H12 O16","formula_reduced":"SrPH3O4","formula_anonymous":"ABC3D4","energy":-226.75060691,"energy_per_atom":-6.298627969722222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.75860691,"band_gap":5.5192000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014893,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.118000Z","spacegroup":14},{"id":"mp-865492","created_at":"2022-09-04T14:40:13.829753Z","structure_string":"Lu2 Cu2 Pb2 Se6\n1.0\n2.018574 -6.798232 0.000000\n2.018574 6.798232 0.000000\n0.000000 0.000000 10.448599\nLu Cu Pb Se\n2 2 2 6\ndirect\n0.498630 0.501370 0.494462 Lu\n0.501370 0.498630 0.994462 Lu\n0.966392 0.033608 0.244962 Cu\n0.033608 0.966392 0.744962 Cu\n0.254391 0.745609 0.236358 Pb\n0.745609 0.254391 0.736358 Pb\n0.138752 0.861248 0.554020 Se\n0.139385 0.860615 0.934703 Se\n0.422796 0.577204 0.746852 Se\n0.577204 0.422796 0.246852 Se\n0.860615 0.139385 0.434703 Se\n0.861248 0.138752 0.054020 Se\n","nsites":12,"nelements":4,"elements":["Lu","Cu","Pb","Se"],"chemical_system":"Cu-Lu-Pb-Se","density":7.9051881181515595,"density_atomic":0.04184586328741128,"volume":286.76669704673117,"volume_molar":14.391245124130762,"formula_full":"Lu2 Cu2 Pb2 Se6","formula_reduced":"LuCuPbSe3","formula_anonymous":"ABCD3","energy":-60.27282528,"energy_per_atom":-5.02273544,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.44082528,"band_gap":1.1055,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0091285,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.427000Z","spacegroup":36},{"id":"mp-1246662","created_at":"2022-09-04T14:40:13.774434Z","structure_string":"Cu2 Si14 N20\n1.0\n6.698321 0.000000 0.092465\n0.000000 6.910211 0.000000\n-2.457646 0.000000 9.384288\nCu Si N\n2 14 20\ndirect\n0.974062 0.905144 0.684941 Cu\n0.974062 0.094856 0.184941 Cu\n0.544079 0.981469 0.823688 Si\n0.544079 0.018531 0.323688 Si\n0.351381 0.019073 0.021506 Si\n0.351381 0.980927 0.521506 Si\n0.113410 0.400162 0.073922 Si\n0.113410 0.599838 0.573922 Si\n0.657385 0.362355 0.989662 Si\n0.657385 0.637645 0.489662 Si\n0.845774 0.617976 0.809370 Si\n0.845774 0.382024 0.309370 Si\n0.299355 0.620993 0.882210 Si\n0.299355 0.379007 0.382210 Si\n0.484127 0.367419 0.686303 Si\n0.484127 0.632581 0.186303 Si\n0.753900 0.848656 0.808269 N\n0.753900 0.151344 0.308269 N\n0.554221 0.137317 0.968994 N\n0.554221 0.862683 0.468994 N\n0.324617 0.867896 0.869113 N\n0.324617 0.132104 0.369113 N\n0.152806 0.158517 0.046995 N\n0.152806 0.841483 0.546995 N\n0.287471 0.505652 0.723083 N\n0.287471 0.494348 0.223083 N\n0.449975 0.120912 0.671849 N\n0.449975 0.879088 0.171849 N\n0.880310 0.384482 0.129438 N\n0.880310 0.615518 0.629438 N\n0.075510 0.568086 0.934725 N\n0.075510 0.431914 0.434725 N\n0.697962 0.418267 0.823316 N\n0.697962 0.581733 0.323316 N\n0.495956 0.540109 0.021917 N\n0.495956 0.459891 0.521917 N\n","nsites":36,"nelements":3,"elements":["Cu","Si","N"],"chemical_system":"Cu-N-Si","density":3.0488976455665298,"density_atomic":0.08258034420151059,"volume":435.93908875159997,"volume_molar":7.29246265346741,"formula_full":"Cu2 Si14 N20","formula_reduced":"CuSi7N10","formula_anonymous":"AB7C10","energy":-286.39271841000004,"energy_per_atom":-7.955353289166668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.17271841,"band_gap":0.2718999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003427,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.954000Z","spacegroup":7},{"id":"mp-2546","created_at":"2022-09-04T14:40:13.791837Z","structure_string":"Np1 C1\n1.0\n0.000000 2.478331 2.478331\n2.478331 0.000000 2.478331\n2.478331 2.478331 0.000000\nNp C\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Np","C"],"chemical_system":"C-Np","density":13.58185792614262,"density_atomic":0.06569345031504113,"volume":30.44443533424947,"volume_molar":9.167033747078397,"formula_full":"Np1 C1","formula_reduced":"NpC","formula_anonymous":"AB","energy":-21.8332578,"energy_per_atom":-10.9166289,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.8332578,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8974629,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.940000Z","spacegroup":225},{"id":"mp-1213392","created_at":"2022-09-04T14:40:13.795620Z","structure_string":"Cs2 Gd2 Mo4 O16\n1.0\n5.108648 0.000000 0.000000\n0.000000 8.373658 0.000000\n0.000000 0.000000 9.679500\nCs Gd Mo O\n2 2 4 16\ndirect\n0.000000 0.250000 0.500000 Cs\n0.000000 0.750000 0.500000 Cs\n0.000000 0.250000 0.000000 Gd\n0.000000 0.750000 0.000000 Gd\n0.521850 0.000000 0.196866 Mo\n0.478150 0.000000 0.803134 Mo\n0.478150 0.500000 0.196866 Mo\n0.521850 0.500000 0.803134 Mo\n0.249761 0.000000 0.068829 O\n0.750239 0.000000 0.931171 O\n0.750239 0.500000 0.068829 O\n0.249761 0.500000 0.931171 O\n0.262278 0.328922 0.186718 O\n0.737722 0.671078 0.813282 O\n0.737722 0.328922 0.813282 O\n0.737722 0.171078 0.186718 O\n0.262278 0.671078 0.186718 O\n0.262278 0.828922 0.813282 O\n0.262278 0.171078 0.813282 O\n0.737722 0.828922 0.186718 O\n0.379235 0.000000 0.361806 O\n0.620765 0.000000 0.638194 O\n0.620765 0.500000 0.361806 O\n0.379235 0.500000 0.638194 O\n","nsites":24,"nelements":4,"elements":["Cs","Gd","Mo","O"],"chemical_system":"Cs-Gd-Mo-O","density":4.892790577538453,"density_atomic":0.057961166676885334,"volume":414.0703401260399,"volume_molar":10.38995780325037,"formula_full":"Cs2 Gd2 Mo4 O16","formula_reduced":"CsGd(MoO4)2","formula_anonymous":"ABC2D8","energy":-213.22599039000005,"energy_per_atom":-8.884416266250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.42599039,"band_gap":3.0820000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.0007282,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.189000Z","spacegroup":49},{"id":"mp-625920","created_at":"2022-09-04T14:40:13.796397Z","structure_string":"Ta4 H8 O14\n1.0\n0.000000 5.198864 5.198864\n5.198864 0.000000 5.198864\n5.198864 5.198864 0.000000\nTa H O\n4 8 14\ndirect\n0.625000 0.125000 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.125000 0.125000 0.125000 Ta\n0.324876 0.558375 0.558375 H\n0.558375 0.558375 0.324876 H\n0.558375 0.558375 0.558375 H\n0.558375 0.324876 0.558375 H\n0.691625 0.691625 0.691625 H\n0.691625 0.925124 0.691625 H\n0.691625 0.691625 0.925124 H\n0.925124 0.691625 0.691625 H\n0.802795 0.802795 0.197205 O\n0.197205 0.197205 0.802795 O\n0.802795 0.197205 0.802795 O\n0.197205 0.802795 0.197205 O\n0.197205 0.802795 0.802795 O\n0.802795 0.197205 0.197205 O\n0.447205 0.447205 0.052795 O\n0.052795 0.052795 0.447205 O\n0.447205 0.052795 0.447205 O\n0.052795 0.447205 0.052795 O\n0.052795 0.447205 0.447205 O\n0.447205 0.052795 0.052795 O\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n","nsites":26,"nelements":3,"elements":["Ta","H","O"],"chemical_system":"H-O-Ta","density":5.647834341177235,"density_atomic":0.09251624177813822,"volume":281.03173562054326,"volume_molar":6.5092794997462216,"formula_full":"Ta4 H8 O14","formula_reduced":"Ta2H4O7","formula_anonymous":"A2B4C7","energy":-192.36675615,"energy_per_atom":-7.3987213903846145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.74875615,"band_gap":0.1807,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003442,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.037000Z","spacegroup":227},{"id":"mp-1212194","created_at":"2022-09-04T14:40:13.804271Z","structure_string":"K4 U6 H8 O12 F16\n1.0\n4.269608 -7.148492 0.000000\n4.269608 7.148492 0.000000\n0.000000 0.000000 13.350920\nK U H O F\n4 6 8 12 16\ndirect\n0.632409 0.652583 0.250000 K\n0.652583 0.632409 0.750000 K\n0.368115 0.110349 0.250000 K\n0.110349 0.368115 0.750000 K\n0.803718 0.395657 0.023802 U\n0.395657 0.803718 0.976198 U\n0.395657 0.803718 0.523802 U\n0.803718 0.395657 0.476198 U\n0.991353 0.991353 0.000000 U\n0.991353 0.991353 0.500000 U\n0.640551 0.000981 0.250000 H\n0.000981 0.640551 0.750000 H\n0.250072 0.385274 0.250000 H\n0.385274 0.250072 0.750000 H\n0.298198 0.298198 0.000000 H\n0.298198 0.298198 0.500000 H\n0.053759 0.759056 0.250000 H\n0.759056 0.053759 0.750000 H\n0.932457 0.410074 0.134367 O\n0.410074 0.932457 0.865633 O\n0.410074 0.932457 0.634367 O\n0.932457 0.410074 0.365633 O\n0.397527 0.693157 0.093262 O\n0.693157 0.397528 0.906738 O\n0.693157 0.397528 0.593262 O\n0.397527 0.693157 0.406738 O\n0.961338 0.046929 0.126958 O\n0.046929 0.961338 0.873042 O\n0.046929 0.961338 0.626958 O\n0.961338 0.046929 0.373042 O\n0.857709 0.698834 0.054738 F\n0.698834 0.857709 0.945262 F\n0.698834 0.857709 0.554738 F\n0.857709 0.698834 0.445262 F\n0.377728 0.576364 0.618954 F\n0.576364 0.377728 0.381046 F\n0.576364 0.377728 0.118954 F\n0.377728 0.576364 0.881046 F\n0.084295 0.612633 0.547378 F\n0.612633 0.084295 0.452622 F\n0.612633 0.084295 0.047378 F\n0.084295 0.612633 0.952622 F\n0.960138 0.237016 0.554247 F\n0.237016 0.960138 0.445753 F\n0.237016 0.960138 0.054247 F\n0.960138 0.237016 0.945753 F\n","nsites":46,"nelements":5,"elements":["K","U","H","O","F"],"chemical_system":"F-H-K-O-U","density":4.2555942040045585,"density_atomic":0.056443534749156074,"volume":814.9737645672125,"volume_molar":10.669318969414899,"formula_full":"K4 U6 H8 O12 F16","formula_reduced":"K2U3H4(O3F4)2","formula_anonymous":"A2B3C4D6E8","energy":-306.80709382000003,"energy_per_atom":-6.6697194308695655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.17109382,"band_gap":2.1424,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0010719,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.244000Z","spacegroup":40},{"id":"mp-1250398","created_at":"2022-09-04T14:40:13.806138Z","structure_string":"Cs6 Ca3 Al12 Si12 O48\n1.0\n12.497408 0.073823 -0.016035\n0.075103 12.363035 -0.057318\n-0.014196 -0.056799 12.273120\nCs Ca Al Si O\n6 3 12 12 48\ndirect\n0.021137 0.518461 0.509046 Cs\n0.458412 0.449061 0.087450 Cs\n0.531048 0.022157 0.486411 Cs\n0.294819 0.738458 0.261937 Cs\n0.607253 0.588460 0.840497 Cs\n0.896435 0.100214 0.101058 Cs\n0.779235 0.189171 0.809833 Ca\n0.774313 0.810529 0.197299 Ca\n0.832705 0.837984 0.814476 Ca\n0.013934 0.813523 0.369205 Al\n0.005367 0.632090 0.818407 Al\n0.187776 0.372116 0.995675 Al\n0.372208 0.816409 0.987532 Al\n0.623102 0.016008 0.189163 Al\n0.629479 0.187013 0.009240 Al\n0.629515 0.985563 0.815328 Al\n0.622855 0.811450 0.998773 Al\n0.823613 0.990447 0.370146 Al\n0.841723 0.011169 0.630924 Al\n0.828872 0.371603 0.982844 Al\n0.832617 0.634881 0.009025 Al\n0.006702 0.365348 0.177678 Si\n0.013193 0.194668 0.620653 Si\n0.013908 0.618236 0.195834 Si\n0.027353 0.825223 0.631280 Si\n0.197989 0.009165 0.616971 Si\n0.191106 0.621102 0.008682 Si\n0.188530 0.006615 0.363511 Si\n0.373494 0.011263 0.175838 Si\n0.377271 0.184291 0.988774 Si\n0.381660 0.998751 0.802008 Si\n0.000316 0.182203 0.365292 Si\n0.006043 0.378489 0.800824 Si\n0.002638 0.228540 0.491869 O\n0.996574 0.490229 0.228056 O\n0.029113 0.308126 0.686154 O\n0.030292 0.683587 0.310095 O\n0.984230 0.502465 0.760284 O\n0.025074 0.722092 0.710591 O\n0.110398 0.111656 0.344234 O\n0.118723 0.345058 0.116996 O\n0.105027 0.365285 0.881943 O\n0.128280 0.892654 0.345993 O\n0.114083 0.110824 0.637551 O\n0.124065 0.633005 0.126649 O\n0.109293 0.634805 0.909322 O\n0.139004 0.894458 0.639611 O\n0.238980 0.013489 0.489062 O\n0.247529 0.501337 0.009947 O\n0.297340 0.286262 0.981256 O\n0.302709 0.018763 0.694087 O\n0.280815 0.713472 0.014855 O\n0.288167 0.011503 0.279488 O\n0.349703 0.117298 0.100775 O\n0.366911 0.105463 0.881220 O\n0.357706 0.901534 0.105092 O\n0.352160 0.890034 0.866376 O\n0.489495 0.015838 0.236243 O\n0.497138 0.234865 0.998473 O\n0.498389 0.751569 0.989065 O\n0.503742 0.994769 0.751219 O\n0.663183 0.138889 0.136886 O\n0.655999 0.092666 0.903813 O\n0.650872 0.908481 0.097962 O\n0.662362 0.854784 0.865652 O\n0.745874 0.006940 0.734174 O\n0.720893 0.284788 0.962875 O\n0.721165 0.716066 0.039844 O\n0.706763 0.969338 0.295028 O\n0.787710 0.993621 0.505516 O\n0.790256 0.505299 0.982228 O\n0.897244 0.108967 0.339669 O\n0.905765 0.337160 0.098683 O\n0.896631 0.328131 0.856610 O\n0.898383 0.876591 0.318237 O\n0.901977 0.139194 0.662793 O\n0.908572 0.664887 0.130315 O\n0.889302 0.685458 0.886325 O\n0.929814 0.906373 0.675165 O\n0.999969 0.288022 0.287158 O\n0.006106 0.784445 0.508152 O\n","nsites":81,"nelements":5,"elements":["Cs","Ca","Al","Si","O"],"chemical_system":"Al-Ca-Cs-O-Si","density":2.0548706130739545,"density_atomic":0.04271796048834526,"volume":1896.1579409227468,"volume_molar":14.097444473368574,"formula_full":"Cs6 Ca3 Al12 Si12 O48","formula_reduced":"Cs2CaAl4(SiO4)4","formula_anonymous":"AB2C4D4E16","energy":-618.26472842,"energy_per_atom":-7.632897881728395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-585.28872842,"band_gap":2.9038,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.908000Z","spacegroup":1}]}