{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=54","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=52","results":[{"id":"mp-1105258","created_at":"2022-09-04T14:39:09.121016Z","structure_string":"Ca2 Cl4 O8\n1.0\n3.682283 -5.595285 0.917890\n-7.036768 1.734194 0.307324\n-0.096225 0.049843 -8.123046\nCa Cl O\n2 4 8\ndirect\n0.129115 0.203107 0.267449 Ca\n0.870885 0.796893 0.732551 Ca\n0.663669 0.336083 0.972946 Cl\n0.336331 0.663917 0.027054 Cl\n0.740359 0.689974 0.376799 Cl\n0.259641 0.310026 0.623201 Cl\n0.877010 0.878896 0.020401 O\n0.122990 0.121104 0.979599 O\n0.420389 0.057147 0.308030 O\n0.579611 0.942853 0.691970 O\n0.152316 0.525526 0.169155 O\n0.847684 0.474474 0.830845 O\n0.674727 0.171290 0.353936 O\n0.325273 0.828710 0.646064 O\n","nsites":14,"nelements":3,"elements":["Ca","Cl","O"],"chemical_system":"Ca-Cl-O","density":2.169239235133901,"density_atomic":0.0522593507798756,"volume":267.8946406925365,"volume_molar":11.52356596500056,"formula_full":"Ca2 Cl4 O8","formula_reduced":"Ca(ClO2)2","formula_anonymous":"AB2C4","energy":-63.45185517,"energy_per_atom":-4.532275369285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.16385516999999,"band_gap":0.3517,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9982543,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.229000Z","spacegroup":2},{"id":"mp-1235847","created_at":"2022-09-04T14:39:09.124004Z","structure_string":"Li1 V1 Fe1 P4 O14\n1.0\n4.899496 -0.028325 0.139964\n-0.059584 8.173564 -0.030802\n-2.098159 0.007979 6.623551\nLi V Fe P O\n1 1 1 4 14\ndirect\n0.653077 0.413229 0.254085 Li\n0.193733 0.503758 0.724054 V\n0.769134 0.999893 0.264466 Fe\n0.365589 0.189560 0.497790 P\n0.213156 0.769630 0.100693 P\n0.733035 0.270050 0.889122 P\n0.600736 0.692178 0.491617 P\n0.975027 0.339944 0.810494 O\n0.129469 0.661903 0.912520 O\n0.139632 0.058238 0.451336 O\n0.247159 0.362703 0.509470 O\n0.423461 0.663176 0.641558 O\n0.538446 0.409300 0.924973 O\n0.553094 0.147194 0.723501 O\n0.403551 0.641367 0.270042 O\n0.403256 0.914372 0.085841 O\n0.564189 0.197023 0.361571 O\n0.694653 0.868010 0.492119 O\n0.836481 0.564020 0.515251 O\n0.846598 0.173919 0.078539 O\n0.952687 0.810433 0.167479 O\n","nsites":21,"nelements":5,"elements":["Li","V","Fe","P","O"],"chemical_system":"Fe-Li-O-P-V","density":2.8640549743030075,"density_atomic":0.07846435987430313,"volume":267.63743480022254,"volume_molar":7.6750014524393455,"formula_full":"Li1 V1 Fe1 P4 O14","formula_reduced":"LiVFe(P2O7)2","formula_anonymous":"ABCD4E14","energy":-164.14045282,"energy_per_atom":-7.8162120390476195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.56645282,"band_gap":1.5870000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0023611,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.920000Z","spacegroup":1},{"id":"mp-541101","created_at":"2022-09-04T14:39:09.126978Z","structure_string":"Ho2 H36 C6 S6 O36 F18\n1.0\n6.853739 -11.871025 0.000000\n6.853739 11.871025 0.000000\n0.000000 0.000000 7.525894\nHo H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n0.099184 0.449165 0.355755 H\n0.650019 0.099184 0.855755 H\n0.449165 0.349981 0.855755 H\n0.550835 0.650019 0.355755 H\n0.349981 0.900816 0.355755 H\n0.900816 0.550835 0.855755 H\n0.900816 0.550835 0.644245 H\n0.349981 0.900816 0.144245 H\n0.550835 0.650019 0.144245 H\n0.449165 0.349981 0.644245 H\n0.650019 0.099184 0.644245 H\n0.099184 0.449165 0.144245 H\n0.362591 0.492110 0.448477 H\n0.870480 0.362591 0.948477 H\n0.492110 0.129520 0.948477 H\n0.507890 0.870480 0.448477 H\n0.129520 0.637409 0.448477 H\n0.637409 0.507890 0.948477 H\n0.637409 0.507890 0.551523 H\n0.129520 0.637409 0.051523 H\n0.507890 0.870480 0.051523 H\n0.492110 0.129520 0.551523 H\n0.870480 0.362591 0.551523 H\n0.362591 0.492110 0.051523 H\n0.279778 0.512860 0.567744 H\n0.766918 0.279778 0.067744 H\n0.512860 0.233082 0.067744 H\n0.487140 0.766918 0.567744 H\n0.233082 0.720222 0.567744 H\n0.720222 0.487140 0.067744 H\n0.720222 0.487140 0.432256 H\n0.233082 0.720222 0.932256 H\n0.487140 0.766918 0.932256 H\n0.512860 0.233082 0.432256 H\n0.766918 0.279778 0.432256 H\n0.279778 0.512860 0.932256 H\n0.231616 0.204793 0.250000 C\n0.026823 0.231616 0.750000 C\n0.204793 0.973177 0.750000 C\n0.795207 0.026823 0.250000 C\n0.973177 0.768384 0.250000 C\n0.768384 0.795207 0.750000 C\n0.383590 0.316604 0.250000 S\n0.066986 0.383590 0.750000 S\n0.316604 0.933014 0.750000 S\n0.683396 0.066986 0.250000 S\n0.933014 0.616410 0.250000 S\n0.616410 0.683396 0.750000 S\n0.143571 0.487817 0.250000 O\n0.655754 0.143571 0.750000 O\n0.487817 0.344246 0.750000 O\n0.512183 0.655754 0.250000 O\n0.344246 0.856429 0.250000 O\n0.856429 0.512183 0.750000 O\n0.337220 0.546522 0.473226 O\n0.790698 0.337220 0.973226 O\n0.546522 0.209302 0.973226 O\n0.453478 0.790698 0.473226 O\n0.209302 0.662780 0.473226 O\n0.662780 0.453478 0.973226 O\n0.662780 0.453478 0.526774 O\n0.209302 0.662780 0.026774 O\n0.453478 0.790698 0.026774 O\n0.546522 0.209302 0.526774 O\n0.790698 0.337220 0.526774 O\n0.337220 0.546522 0.026774 O\n0.443692 0.252991 0.250000 O\n0.190701 0.443692 0.750000 O\n0.252991 0.809299 0.750000 O\n0.747009 0.190701 0.250000 O\n0.809299 0.556308 0.250000 O\n0.556308 0.747009 0.750000 O\n0.397415 0.379350 0.414410 O\n0.018065 0.397415 0.914410 O\n0.379350 0.981935 0.914410 O\n0.620650 0.018065 0.414410 O\n0.981935 0.602585 0.414410 O\n0.602585 0.620650 0.914410 O\n0.602585 0.620650 0.585590 O\n0.981935 0.602585 0.085590 O\n0.620650 0.018065 0.085590 O\n0.379350 0.981935 0.585590 O\n0.018065 0.397415 0.585590 O\n0.397415 0.379350 0.085590 O\n0.166634 0.253401 0.250000 F\n0.913232 0.166634 0.750000 F\n0.253401 0.086768 0.750000 F\n0.746599 0.913232 0.250000 F\n0.086768 0.833366 0.250000 F\n0.833366 0.746599 0.750000 F\n0.207601 0.139305 0.395866 F\n0.068297 0.207601 0.895866 F\n0.139305 0.931703 0.895866 F\n0.860695 0.068297 0.395866 F\n0.931703 0.792399 0.395866 F\n0.792399 0.860695 0.895866 F\n0.792399 0.860695 0.604134 F\n0.931703 0.792399 0.104134 F\n0.860695 0.068297 0.104134 F\n0.139305 0.931703 0.604134 F\n0.068297 0.207601 0.604134 F\n0.207601 0.139305 0.104134 F\n","nsites":104,"nelements":6,"elements":["Ho","H","C","S","O","F"],"chemical_system":"C-F-H-Ho-O-S","density":2.099764313662595,"density_atomic":0.08492380903171255,"volume":1224.627123839487,"volume_molar":7.091227806033983,"formula_full":"Ho2 H36 C6 S6 O36 F18","formula_reduced":"HoH18C3S3(O2F)9","formula_anonymous":"AB3C3D9E18F18","energy":-596.98466125,"energy_per_atom":-5.740237127403846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-563.93666125,"band_gap":5.9498,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.237000Z","spacegroup":176},{"id":"mp-38089","created_at":"2022-09-04T14:39:09.130246Z","structure_string":"Na20 Mn8 O18\n1.0\n5.642099 6.851851 0.000000\n-5.642099 6.851851 0.000000\n0.000000 2.435758 8.567578\nNa Mn O\n20 8 18\ndirect\n0.737550 0.268926 0.019859 Na\n0.438002 0.122922 0.111247 Na\n0.122922 0.438002 0.111247 Na\n0.730463 0.990943 0.269083 Na\n0.990943 0.730463 0.269083 Na\n0.540142 0.798639 0.186799 Na\n0.798639 0.540142 0.186799 Na\n0.139033 0.139033 0.446245 Na\n0.836610 0.219225 0.388694 Na\n0.219225 0.836610 0.388694 Na\n0.499323 0.499323 0.500559 Na\n0.995733 0.260744 0.735154 Na\n0.144941 0.699499 0.746763 Na\n0.699499 0.144941 0.746763 Na\n0.883930 0.883930 0.564292 Na\n0.281799 0.281799 0.847476 Na\n0.260744 0.995733 0.735154 Na\n0.877817 0.550241 0.864761 Na\n0.550241 0.877817 0.864761 Na\n0.268926 0.737550 0.019859 Na\n0.087571 0.087571 0.092474 Mn\n0.468225 0.468225 0.174320 Mn\n0.474215 0.167069 0.465812 Mn\n0.167069 0.474215 0.465812 Mn\n0.534124 0.828337 0.530738 Mn\n0.828337 0.534124 0.530738 Mn\n0.530103 0.530103 0.839518 Mn\n0.900445 0.900445 0.928679 Mn\n0.012319 0.692184 0.012577 O\n0.692184 0.012319 0.012577 O\n0.615385 0.615385 0.007776 O\n0.302894 0.615006 0.295969 O\n0.615006 0.302894 0.295969 O\n0.993108 0.401757 0.377533 O\n0.401757 0.993108 0.377533 O\n0.697100 0.697100 0.384074 O\n0.001440 0.001440 0.710544 O\n0.990697 0.990697 0.306952 O\n0.276801 0.276801 0.593132 O\n0.624529 0.002839 0.596509 O\n0.002839 0.624529 0.596509 O\n0.717139 0.398290 0.720246 O\n0.398290 0.717139 0.720246 O\n0.388338 0.388338 0.006576 O\n0.999493 0.299712 0.984749 O\n0.299712 0.999493 0.984749 O\n","nsites":46,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":2.976246149444066,"density_atomic":0.06944182987342121,"volume":662.4249401815729,"volume_molar":8.672209201539156,"formula_full":"Na20 Mn8 O18","formula_reduced":"Na10Mn4O9","formula_anonymous":"A4B9C10","energy":-264.73621437,"energy_per_atom":-5.755135095000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.02621437,"band_gap":0.4927000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.550000Z","spacegroup":8},{"id":"mp-7361","created_at":"2022-09-04T14:39:09.131162Z","structure_string":"Sr1 Co2 Ge2\n1.0\n-2.016675 2.016675 5.492057\n2.016675 -2.016675 5.492057\n2.016675 2.016675 -5.492057\nSr Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.640984 0.640984 0.000000 Ge\n0.359016 0.359016 0.000000 Ge\n","nsites":5,"nelements":3,"elements":["Sr","Co","Ge"],"chemical_system":"Co-Ge-Sr","density":6.519288707190946,"density_atomic":0.05596327838500967,"volume":89.3443011969667,"volume_molar":10.760879158239398,"formula_full":"Sr1 Co2 Ge2","formula_reduced":"Sr(CoGe)2","formula_anonymous":"AB2C2","energy":-27.28843535,"energy_per_atom":-5.45768707,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.28843535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0158498,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.835000Z","spacegroup":139},{"id":"mp-246","created_at":"2022-09-04T14:39:09.132435Z","structure_string":"Ti1 F3\n1.0\n3.950482 0.000000 0.000000\n0.000000 3.950482 0.000000\n0.000000 0.000000 3.950482\nTi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Ti","F"],"chemical_system":"F-Ti","density":2.8243456149520547,"density_atomic":0.06487983390351083,"volume":61.65243896815138,"volume_molar":9.28199164158792,"formula_full":"Ti1 F3","formula_reduced":"TiF3","formula_anonymous":"AB3","energy":-28.31522658,"energy_per_atom":-7.078806645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.92922658,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999492,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.717000Z","spacegroup":221},{"id":"mp-1180113","created_at":"2022-09-04T14:39:09.142345Z","structure_string":"Na1 V1 Cu3 Se4\n1.0\n5.877048 0.000000 0.000000\n0.000000 5.877048 0.000000\n0.000000 0.000000 5.877048\nNa V Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.231256 0.231256 0.231256 Se\n0.768744 0.768744 0.231256 Se\n0.231256 0.768744 0.768744 Se\n0.768744 0.231256 0.768744 Se\n","nsites":9,"nelements":4,"elements":["Na","V","Cu","Se"],"chemical_system":"Cu-Na-Se-V","density":4.747945484334672,"density_atomic":0.04433684607680072,"volume":202.99143480819794,"volume_molar":13.58269992765924,"formula_full":"Na1 V1 Cu3 Se4","formula_reduced":"NaVCu3Se4","formula_anonymous":"ABC3D4","energy":-43.01238142,"energy_per_atom":-4.779153491111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.12438141999999,"band_gap":0.2984,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9996011,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.908000Z","spacegroup":215},{"id":"mp-765203","created_at":"2022-09-04T14:39:09.143265Z","structure_string":"Li11 Cr3 Fe3 O16\n1.0\n2.953316 5.203058 0.000000\n-2.953316 5.203058 0.000000\n0.000000 1.345136 9.956693\nLi Cr Fe O\n11 3 3 16\ndirect\n0.045524 0.045524 0.996566 Li\n0.636242 0.142932 0.442579 Li\n0.302410 0.302410 0.944447 Li\n0.351695 0.351695 0.203575 Li\n0.225290 0.225290 0.443815 Li\n0.142932 0.636242 0.442579 Li\n0.640673 0.640673 0.462877 Li\n0.672798 0.672798 0.710891 Li\n0.544556 0.544556 0.990507 Li\n0.800852 0.800852 0.929776 Li\n0.028510 0.028510 0.512130 Li\n0.850295 0.351375 0.219381 Cr\n0.351375 0.850295 0.219381 Cr\n0.170305 0.170305 0.716300 Cr\n0.669046 0.172885 0.713470 Fe\n0.172885 0.669046 0.713470 Fe\n0.848921 0.848921 0.211581 Fe\n0.184288 0.184288 0.114724 O\n0.488650 0.009859 0.820514 O\n0.715273 0.197444 0.107413 O\n0.988568 0.988568 0.825031 O\n0.341983 0.341983 0.590415 O\n0.009859 0.488650 0.820514 O\n0.476997 0.476997 0.818240 O\n0.855825 0.332309 0.604119 O\n0.197444 0.715273 0.107413 O\n0.504208 0.521180 0.327464 O\n0.332309 0.855825 0.604119 O\n0.987979 0.511480 0.328309 O\n0.692183 0.692183 0.106904 O\n0.511480 0.987979 0.328309 O\n0.861614 0.861614 0.601686 O\n0.002528 0.002528 0.331323 O\n","nsites":33,"nelements":4,"elements":["Li","Cr","Fe","O"],"chemical_system":"Cr-Fe-Li-O","density":3.559177578182536,"density_atomic":0.10784505650493485,"volume":305.99455431218547,"volume_molar":5.5840675086710485,"formula_full":"Li11 Cr3 Fe3 O16","formula_reduced":"Li11Cr3Fe3O16","formula_anonymous":"A3B3C11D16","energy":-221.73856713,"energy_per_atom":-6.719350519090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.98156713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.000119,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.337000Z","spacegroup":1},{"id":"mp-777359","created_at":"2022-09-04T14:39:09.396347Z","structure_string":"Li5 Mn8 B8 O24\n1.0\n5.335068 0.000000 0.000000\n-0.080040 9.024467 0.000000\n-2.262416 -4.418235 10.395464\nLi Mn B O\n5 8 8 24\ndirect\n0.932210 0.063435 0.165184 Li\n0.872399 0.708003 0.422176 Li\n0.697202 0.849015 0.662910 Li\n0.592601 0.455662 0.922526 Li\n0.353405 0.219663 0.406510 Li\n0.914720 0.711288 0.128412 Mn\n0.847576 0.353027 0.377984 Mn\n0.654204 0.176104 0.625450 Mn\n0.405678 0.233290 0.126966 Mn\n0.604045 0.793666 0.890078 Mn\n0.353105 0.864515 0.383117 Mn\n0.174611 0.624609 0.632719 Mn\n0.084860 0.246523 0.868707 Mn\n0.878425 0.367253 0.112525 B\n0.865865 0.014024 0.377631 B\n0.631146 0.496637 0.617204 B\n0.412767 0.902506 0.146540 B\n0.603830 0.120681 0.863347 B\n0.365732 0.530350 0.386569 B\n0.146653 0.974128 0.623022 B\n0.098441 0.592860 0.870719 B\n0.996386 0.134500 0.363308 O\n0.960727 0.862912 0.351537 O\n0.809772 0.271226 0.174421 O\n0.753079 0.495572 0.109189 O\n0.867645 0.478797 0.583050 O\n0.639443 0.874180 0.099994 O\n0.875329 0.633657 0.918593 O\n0.632747 0.041815 0.418577 O\n0.701545 0.240400 0.827112 O\n0.711653 0.980938 0.842839 O\n0.503497 0.662148 0.393471 O\n0.444083 0.375957 0.335574 O\n0.550712 0.651598 0.665076 O\n0.318521 0.796132 0.196949 O\n0.476526 0.363602 0.594665 O\n0.275826 0.026916 0.142518 O\n0.373025 0.971939 0.573822 O\n0.082272 0.317553 0.051393 O\n0.398519 0.158057 0.922420 O\n0.137849 0.545343 0.434919 O\n0.225654 0.466236 0.876956 O\n0.201461 0.694378 0.818147 O\n0.053460 0.123351 0.680084 O\n0.021327 0.835120 0.610375 O\n","nsites":45,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.134222182222576,"density_atomic":0.08990981717762371,"volume":500.50151821684904,"volume_molar":6.697979096212375,"formula_full":"Li5 Mn8 B8 O24","formula_reduced":"Li5Mn8(BO3)8","formula_anonymous":"A5B8C8D24","energy":-365.30189694,"energy_per_atom":-8.117819932,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.46989694,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9574963,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.129000Z","spacegroup":1},{"id":"mp-540995","created_at":"2022-09-04T14:39:09.134155Z","structure_string":"Rb10 Nb6 O2 F36\n1.0\n-7.911308 7.911308 3.986861\n7.911308 -7.911308 3.986861\n7.911308 7.911308 -3.986861\nRb Nb O F\n10 6 2 36\ndirect\n0.237171 0.737171 0.500000 Rb\n0.737171 0.237171 0.500000 Rb\n0.188258 0.881536 0.139682 Rb\n0.048575 0.188258 0.306722 Rb\n0.881536 0.741853 0.693278 Rb\n0.741853 0.048575 0.860318 Rb\n0.381536 0.688258 0.139682 Rb\n0.548575 0.241853 0.860318 Rb\n0.688258 0.548575 0.306722 Rb\n0.241853 0.381536 0.693278 Rb\n0.344023 0.156362 0.500000 Nb\n0.844023 0.344023 0.187662 Nb\n0.156362 0.656362 0.812338 Nb\n0.656362 0.844023 0.500000 Nb\n0.733625 0.733625 0.000000 Nb\n0.233625 0.233625 0.000000 Nb\n0.007085 0.007085 0.000000 O\n0.507085 0.507085 0.000000 O\n0.607776 0.379071 0.500000 F\n0.107776 0.607776 0.228705 F\n0.379071 0.879071 0.771295 F\n0.879071 0.107776 0.500000 F\n0.011427 0.621771 0.669925 F\n0.341502 0.011427 0.389656 F\n0.621771 0.951846 0.610344 F\n0.951846 0.341502 0.330075 F\n0.121771 0.511427 0.669925 F\n0.841502 0.451846 0.330075 F\n0.511427 0.841502 0.389656 F\n0.451846 0.121771 0.610344 F\n0.399556 0.608223 0.500000 F\n0.899556 0.399556 0.791333 F\n0.608223 0.108223 0.208667 F\n0.108223 0.899556 0.500000 F\n0.649091 0.719376 0.840146 F\n0.808945 0.649091 0.929715 F\n0.719376 0.879230 0.070285 F\n0.879230 0.808945 0.159854 F\n0.219376 0.149091 0.840146 F\n0.308945 0.379230 0.159854 F\n0.149091 0.308945 0.929715 F\n0.379230 0.219376 0.070285 F\n0.801004 0.459803 0.123201 F\n0.677803 0.801004 0.341201 F\n0.459803 0.336602 0.658799 F\n0.336602 0.677803 0.876799 F\n0.959803 0.301004 0.123201 F\n0.177803 0.836602 0.876799 F\n0.301004 0.177803 0.341201 F\n0.836602 0.959803 0.658799 F\n0.659698 0.678849 0.500000 F\n0.159698 0.659698 0.980849 F\n0.678849 0.178849 0.019151 F\n0.178849 0.159698 0.500000 F\n","nsites":54,"nelements":4,"elements":["Rb","Nb","O","F"],"chemical_system":"F-Nb-O-Rb","density":3.5403386331270754,"density_atomic":0.05410109917511677,"volume":998.1312916621246,"volume_molar":11.131272472870238,"formula_full":"Rb10 Nb6 O2 F36","formula_reduced":"Rb5Nb3OF18","formula_anonymous":"AB3C5D18","energy":-331.02615275000005,"energy_per_atom":-6.130113939814816,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.02015275,"band_gap":3.9847,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028063,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.374000Z","spacegroup":108},{"id":"mp-1229109","created_at":"2022-09-04T14:39:09.138310Z","structure_string":"Cs2 Os1 Br1 Cl1 F4\n1.0\n-3.639443 3.639443 4.363197\n3.639443 -3.639443 4.363197\n3.639443 3.639443 -4.363197\nCs Os Br Cl F\n2 1 1 1 4\ndirect\n0.748664 0.248664 0.500000 Cs\n0.248664 0.748664 0.500000 Cs\n0.999733 0.999733 0.000000 Os\n0.286922 0.286922 0.000000 Br\n0.730116 0.730116 0.000000 Cl\n0.806768 0.806768 0.616785 F\n0.189983 0.189983 0.383215 F\n0.189983 0.806768 0.000000 F\n0.806768 0.189983 0.000000 F\n","nsites":9,"nelements":5,"elements":["Cs","Os","Br","Cl","F"],"chemical_system":"Br-Cl-Cs-F-Os","density":4.6503050685687555,"density_atomic":0.038932101969694426,"volume":231.1716949422816,"volume_molar":15.468316518557778,"formula_full":"Cs2 Os1 Br1 Cl1 F4","formula_reduced":"Cs2OsBrClF4","formula_anonymous":"ABCD2E4","energy":-43.753062400000005,"energy_per_atom":-4.861451377777779,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.7570624,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000225,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.382000Z","spacegroup":107},{"id":"mp-776202","created_at":"2022-09-04T14:39:07.325210Z","structure_string":"Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n","nsites":36,"nelements":5,"elements":["Cr","Fe","Sb","P","O"],"chemical_system":"Cr-Fe-O-P-Sb","density":3.527502698279455,"density_atomic":0.07940401145998474,"volume":453.3775981600378,"volume_molar":7.584176982084624,"formula_full":"Cr2 Fe3 Sb1 P6 O24","formula_reduced":"Cr2Fe3Sb(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-284.18524031000004,"energy_per_atom":-7.894034453055557,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.93124031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9437991,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.452000Z","spacegroup":146}]}