{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=83","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=81","results":[{"id":"mp-1105051","created_at":"2022-09-04T14:40:26.784207Z","structure_string":"Dy1 Mn6 Sn6\n1.0\n2.728226 -4.725426 0.000000\n2.728226 4.725426 0.000000\n0.000000 0.000000 9.014653\nDy Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.751024 Mn\n0.500000 0.000000 0.751024 Mn\n0.000000 0.500000 0.751024 Mn\n0.500000 0.500000 0.248976 Mn\n0.500000 0.000000 0.248976 Mn\n0.000000 0.500000 0.248976 Mn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.666861 Sn\n0.000000 0.000000 0.333139 Sn\n","nsites":13,"nelements":3,"elements":["Dy","Mn","Sn"],"chemical_system":"Dy-Mn-Sn","density":8.604295058810324,"density_atomic":0.05592976989341261,"volume":232.4343551703247,"volume_molar":10.767326186888686,"formula_full":"Dy1 Mn6 Sn6","formula_reduced":"Dy(MnSn)6","formula_anonymous":"AB6C6","energy":-85.44556355,"energy_per_atom":-6.5727356576923075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.44556355,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.8120476,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.046000Z","spacegroup":191},{"id":"mp-1110717","created_at":"2022-09-04T14:40:26.801400Z","structure_string":"K2 Rb1 Mo1 Cl6\n1.0\n0.000000 5.529848 5.529848\n5.529848 0.000000 5.529848\n5.529848 5.529848 0.000000\nK Rb Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mo\n0.778120 0.221880 0.221880 Cl\n0.221880 0.221880 0.778120 Cl\n0.221880 0.778120 0.778120 Cl\n0.221880 0.778120 0.221880 Cl\n0.778120 0.221880 0.778120 Cl\n0.778120 0.778120 0.221880 Cl\n","nsites":10,"nelements":4,"elements":["K","Rb","Mo","Cl"],"chemical_system":"Cl-K-Mo-Rb","density":2.3190924530398607,"density_atomic":0.02956857687140404,"volume":338.19686498578375,"volume_molar":20.366691255351057,"formula_full":"K2 Rb1 Mo1 Cl6","formula_reduced":"K2RbMoCl6","formula_anonymous":"ABC2D6","energy":-43.45400274,"energy_per_atom":-4.345400274,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.77000274,"band_gap":1.6332,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9978671,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.061000Z","spacegroup":225},{"id":"mp-758599","created_at":"2022-09-04T14:40:26.859793Z","structure_string":"Sr5 Re12 O36\n1.0\n8.043670 0.000000 0.000000\n-2.716819 7.643220 0.000000\n-0.011769 -0.013395 13.145248\nSr Re O\n5 12 36\ndirect\n0.183621 0.187752 0.184533 Sr\n0.001335 0.636866 0.000164 Sr\n0.498757 0.860780 0.499779 Sr\n0.854430 0.498162 0.500283 Sr\n0.187128 0.187596 0.815528 Sr\n0.179869 0.816446 0.316359 Re\n0.329922 0.688703 0.181359 Re\n0.567274 0.425238 0.068809 Re\n0.067621 0.934516 0.569152 Re\n0.390588 0.886050 0.755030 Re\n0.114059 0.616356 0.746556 Re\n0.616948 0.112811 0.251877 Re\n0.887632 0.388699 0.250525 Re\n0.434651 0.569053 0.931156 Re\n0.937039 0.066293 0.431533 Re\n0.817242 0.181806 0.681622 Re\n0.684076 0.321184 0.816888 Re\n0.166477 0.834755 0.164031 O\n0.034299 0.968132 0.323171 O\n0.325365 0.671541 0.032611 O\n0.525616 0.888870 0.181929 O\n0.114268 0.477162 0.176710 O\n0.666689 0.657674 0.999472 O\n0.328653 0.328388 0.998673 O\n0.460135 0.525936 0.170445 O\n0.170668 0.818861 0.467618 O\n0.337311 0.675972 0.333718 O\n0.710795 0.004718 0.355081 O\n0.996620 0.287677 0.352163 O\n0.788261 0.491392 0.146198 O\n0.503693 0.212212 0.148526 O\n0.972247 0.613107 0.322254 O\n0.829451 0.829772 0.499768 O\n0.164363 0.161877 0.499992 O\n0.612259 0.974902 0.678642 O\n0.838946 0.168702 0.170953 O\n0.384307 0.026348 0.319902 O\n0.673107 0.332219 0.336138 O\n0.333258 0.674173 0.665488 O\n0.028478 0.386175 0.678834 O\n0.163636 0.832898 0.835882 O\n0.207651 0.504542 0.856215 O\n0.489667 0.782860 0.853422 O\n0.003424 0.709254 0.644592 O\n0.285578 0.991717 0.649840 O\n0.675691 0.339168 0.665228 O\n0.524668 0.459223 0.827390 O\n0.817912 0.170224 0.530586 O\n0.888891 0.528573 0.821623 O\n0.472695 0.116413 0.820536 O\n0.677200 0.334645 0.966004 O\n0.968257 0.034877 0.674493 O\n0.840118 0.173159 0.830722 O\n","nsites":53,"nelements":3,"elements":["Sr","Re","O"],"chemical_system":"O-Re-Sr","density":6.674840948207059,"density_atomic":0.06558076529464588,"volume":808.1637925674986,"volume_molar":9.18278512448475,"formula_full":"Sr5 Re12 O36","formula_reduced":"Sr5(ReO3)12","formula_anonymous":"A5B12C36","energy":-458.02672335,"energy_per_atom":-8.642013648113208,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-433.29472335,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1821999,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.455000Z","spacegroup":1},{"id":"mp-1221100","created_at":"2022-09-04T14:40:26.897944Z","structure_string":"Na1 Ca1 Nb3 Bi2 O12\n1.0\n-2.796733 -2.796873 0.000000\n-2.796733 2.796873 0.000000\n-2.796733 0.000000 -16.354837\nNa Ca Nb Bi O\n1 1 3 2 12\ndirect\n0.931077 0.931077 0.137845 Na\n0.063609 0.063609 0.872781 Ca\n0.627505 0.627505 0.744990 Nb\n0.370798 0.370798 0.258403 Nb\n0.498155 0.498155 0.003690 Nb\n0.787839 0.787839 0.424321 Bi\n0.213815 0.213815 0.572370 Bi\n0.377387 0.877387 0.245226 O\n0.120168 0.620168 0.759664 O\n0.620168 0.120168 0.759664 O\n0.877387 0.377387 0.245226 O\n0.685496 0.685496 0.629007 O\n0.312996 0.312996 0.374009 O\n0.562582 0.562582 0.874837 O\n0.440132 0.440132 0.119736 O\n0.250639 0.750639 0.498722 O\n0.750639 0.250639 0.498722 O\n0.504804 0.004804 0.990393 O\n0.004804 0.504804 0.990393 O\n","nsites":19,"nelements":5,"elements":["Na","Ca","Nb","Bi","O"],"chemical_system":"Bi-Ca-Na-Nb-O","density":6.17685893397564,"density_atomic":0.07425977548493169,"volume":255.85857048349624,"volume_molar":8.109559611073662,"formula_full":"Na1 Ca1 Nb3 Bi2 O12","formula_reduced":"NaCaNb3(BiO6)2","formula_anonymous":"ABC2D3E12","energy":-151.47027927,"energy_per_atom":-7.972119961578947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.22627927,"band_gap":1.3275,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002599,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.867000Z","spacegroup":107},{"id":"mp-1228939","created_at":"2022-09-04T14:40:26.643429Z","structure_string":"Al6 N2 O6\n1.0\n4.973608 -2.830783 0.000000\n4.973608 2.830783 0.000000\n3.362437 0.000000 4.630781\nAl N O\n6 2 6\ndirect\n0.133336 0.133336 0.133336 Al\n0.866664 0.866664 0.866664 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.736922 0.736922 0.736922 N\n0.263078 0.263078 0.263078 N\n0.740546 0.265882 0.740546 O\n0.265882 0.740546 0.740546 O\n0.740546 0.740546 0.265882 O\n0.259454 0.734118 0.259454 O\n0.734118 0.259454 0.259454 O\n0.259454 0.259454 0.734118 O\n","nsites":14,"nelements":3,"elements":["Al","N","O"],"chemical_system":"Al-N-O","density":3.6408217055570344,"density_atomic":0.10736572610589643,"volume":130.39542978726368,"volume_molar":5.608997375997134,"formula_full":"Al6 N2 O6","formula_reduced":"Al3NO3","formula_anonymous":"AB3C3","energy":-108.76077153,"energy_per_atom":-7.768626537857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.91677153,"band_gap":4.146599999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002585,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.236000Z","spacegroup":166},{"id":"mp-1103605","created_at":"2022-09-04T14:40:26.644627Z","structure_string":"V4 Fe4 P4\n1.0\n0.000000 -3.493418 0.000000\n-5.888274 0.000000 0.000000\n0.000000 0.000000 -6.699729\nV Fe P\n4 4 4\ndirect\n0.750000 0.474377 0.673584 V\n0.750000 0.974377 0.826416 V\n0.250000 0.525623 0.326416 V\n0.250000 0.025623 0.173584 V\n0.750000 0.356697 0.061534 Fe\n0.750000 0.856697 0.438466 Fe\n0.250000 0.643303 0.938466 Fe\n0.250000 0.143303 0.561534 Fe\n0.750000 0.730349 0.124680 P\n0.750000 0.230349 0.375320 P\n0.250000 0.269651 0.875320 P\n0.250000 0.769651 0.624680 P\n","nsites":12,"nelements":3,"elements":["V","Fe","P"],"chemical_system":"Fe-P-V","density":6.639528634336181,"density_atomic":0.08707338847070585,"volume":137.81478142471929,"volume_molar":6.9161667712357735,"formula_full":"V4 Fe4 P4","formula_reduced":"VFeP","formula_anonymous":"ABC","energy":-101.64065976,"energy_per_atom":-8.47005498,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.64065976,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027212,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.791000Z","spacegroup":62},{"id":"mp-1016587","created_at":"2022-09-04T14:40:26.646638Z","structure_string":"Mg12 Nb2 W2\n1.0\n4.987744 0.000000 0.000000\n0.000000 5.738248 0.000000\n0.000000 0.000000 11.030112\nMg Nb W\n12 2 2\ndirect\n0.500000 0.249768 0.423080 Mg\n0.500000 0.750232 0.423080 Mg\n0.000000 0.746374 0.086306 Mg\n0.000000 0.253626 0.086306 Mg\n0.000000 0.000000 0.320534 Mg\n0.000000 0.500000 0.315639 Mg\n0.500000 0.749768 0.923080 Mg\n0.500000 0.250232 0.923080 Mg\n0.000000 0.246374 0.586306 Mg\n0.000000 0.753626 0.586306 Mg\n0.000000 0.500000 0.820534 Mg\n0.000000 0.000000 0.815639 Mg\n0.500000 0.000000 0.172651 Nb\n0.500000 0.500000 0.672651 Nb\n0.500000 0.500000 0.172400 W\n0.500000 0.000000 0.672400 W\n","nsites":16,"nelements":3,"elements":["Mg","Nb","W"],"chemical_system":"Mg-Nb-W","density":4.445503130293289,"density_atomic":0.050682332238064884,"volume":315.69186526075504,"volume_molar":11.882130308670131,"formula_full":"Mg12 Nb2 W2","formula_reduced":"Mg6NbW","formula_anonymous":"ABC6","energy":-59.61763507,"energy_per_atom":-3.726102191875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.61763507,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0053947,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.613000Z","spacegroup":38},{"id":"mp-866287","created_at":"2022-09-04T14:40:26.655605Z","structure_string":"Dy1 Sn1 Au2\n1.0\n0.000000 3.525345 3.525345\n3.525345 0.000000 3.525345\n3.525345 3.525345 0.000000\nDy Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Dy","Sn","Au"],"chemical_system":"Au-Dy-Sn","density":12.794110159649449,"density_atomic":0.045648353938824264,"volume":87.6263798112109,"volume_molar":13.192459837808356,"formula_full":"Dy1 Sn1 Au2","formula_reduced":"DySnAu2","formula_anonymous":"ABC2","energy":-17.94008295,"energy_per_atom":-4.4850207375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.94008295,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022283,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.346000Z","spacegroup":225},{"id":"mp-1216665","created_at":"2022-09-04T14:40:26.661086Z","structure_string":"Tm6 Ga4 Ge6\n1.0\n-3.888453 3.888453 5.444596\n3.888453 -3.888453 5.444596\n3.888453 3.888453 -5.444596\nTm Ga Ge\n6 4 6\ndirect\n0.662812 0.162812 0.821339 Tm\n0.341473 0.841473 0.178661 Tm\n0.841473 0.662812 0.500000 Tm\n0.162812 0.341473 0.500000 Tm\n0.745300 0.745300 0.000000 Tm\n0.245300 0.245300 0.000000 Tm\n0.956199 0.456199 0.779316 Ga\n0.676883 0.176883 0.220684 Ga\n0.176883 0.956199 0.500000 Ga\n0.456199 0.676883 0.500000 Ga\n0.494289 0.494289 0.000000 Ge\n0.994289 0.994289 0.000000 Ge\n0.040471 0.540471 0.207898 Ge\n0.332574 0.832574 0.792102 Ge\n0.832574 0.040471 0.500000 Ge\n0.540471 0.332574 0.500000 Ge\n","nsites":16,"nelements":3,"elements":["Tm","Ga","Ge"],"chemical_system":"Ga-Ge-Tm","density":8.715618882593173,"density_atomic":0.048589297891665675,"volume":329.29061942145114,"volume_molar":12.393965381897303,"formula_full":"Tm6 Ga4 Ge6","formula_reduced":"Tm3Ga2Ge3","formula_anonymous":"A2B3C3","energy":-77.64311165,"energy_per_atom":-4.852694478125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.64311165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011393,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.043000Z","spacegroup":108},{"id":"mp-1033880","created_at":"2022-09-04T14:40:26.661700Z","structure_string":"Mg14 Nb1 Cd1 O16\n1.0\n8.686296 0.000000 0.000000\n0.000000 8.686296 0.000000\n0.000000 0.000000 4.349162\nMg Nb Cd O\n14 1 1 16\ndirect\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.255739 0.500000 Mg\n0.000000 0.744261 0.500000 Mg\n0.500000 0.245635 0.500000 Mg\n0.500000 0.754365 0.500000 Mg\n0.255739 -0.000000 0.500000 Mg\n0.245635 0.500000 0.500000 Mg\n0.744261 -0.000000 0.500000 Mg\n0.754365 0.500000 0.500000 Mg\n0.250549 0.250549 -0.000000 Mg\n0.250549 0.749451 0.000000 Mg\n0.749451 0.250549 -0.000000 Mg\n0.749451 0.749451 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 -0.000000 Cd\n0.258194 -0.000000 -0.000000 O\n0.234603 0.500000 -0.000000 O\n0.741806 -0.000000 0.000000 O\n0.765397 0.500000 0.000000 O\n0.249575 0.249575 0.500000 O\n0.249575 0.750425 0.500000 O\n0.750425 0.249575 0.500000 O\n0.750425 0.750425 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.258194 -0.000000 O\n0.000000 0.741806 -0.000000 O\n0.500000 0.234603 -0.000000 O\n0.500000 0.765397 -0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Nb","Cd","O"],"chemical_system":"Cd-Mg-Nb-O","density":4.056205348648625,"density_atomic":0.09751583510997366,"volume":328.1518326117183,"volume_molar":6.1755516457491435,"formula_full":"Mg14 Nb1 Cd1 O16","formula_reduced":"Mg14NbCdO16","formula_anonymous":"ABC14D16","energy":-201.34903423,"energy_per_atom":-6.2921573196875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.35703423,"band_gap":1.0204000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.7808462,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.768000Z","spacegroup":123},{"id":"mp-850976","created_at":"2022-09-04T14:40:26.663604Z","structure_string":"Mn12 O14 F10\n1.0\n4.560443 0.000000 0.000000\n-0.048732 5.678268 0.000000\n-0.039851 -0.011980 15.367891\nMn O F\n12 14 10\ndirect\n0.976425 0.838842 0.409561 Mn\n0.990081 0.153276 0.243647 Mn\n0.971842 0.841697 0.078770 Mn\n0.994478 0.847845 0.739988 Mn\n0.983922 0.152411 0.572577 Mn\n0.991444 0.153202 0.910331 Mn\n0.498730 0.649815 0.586866 Mn\n0.486224 0.652430 0.925621 Mn\n0.498729 0.650788 0.254172 Mn\n0.495751 0.363302 0.094496 Mn\n0.494965 0.367016 0.425976 Mn\n0.490678 0.349812 0.757816 Mn\n0.780829 0.886213 0.300971 O\n0.777560 0.887493 0.632650 O\n0.777494 0.883809 0.969639 O\n0.763289 0.114065 0.136812 O\n0.760683 0.114197 0.467132 O\n0.779642 0.115465 0.801181 O\n0.719508 0.602861 0.147291 O\n0.720425 0.602671 0.479369 O\n0.267411 0.611379 0.032131 O\n0.275202 0.380030 0.197559 O\n0.272307 0.613804 0.361588 O\n0.272246 0.382637 0.527985 O\n0.278178 0.383914 0.866183 O\n0.281638 0.617318 0.696465 O\n0.740889 0.381968 0.320020 F\n0.744915 0.383038 0.652830 F\n0.744873 0.618887 0.821091 F\n0.738286 0.380488 0.987671 F\n0.226781 0.878882 0.182903 F\n0.225982 0.876300 0.513666 F\n0.246042 0.130442 0.356014 F\n0.244824 0.127290 0.023927 F\n0.243670 0.885332 0.847618 F\n0.244052 0.121077 0.677481 F\n","nsites":36,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.478221705732552,"density_atomic":0.09046181790441371,"volume":397.95795434974923,"volume_molar":6.65710782682179,"formula_full":"Mn12 O14 F10","formula_reduced":"Mn6O7F5","formula_anonymous":"A5B6C7","energy":-277.94241676,"energy_per_atom":-7.720622687777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.68841676,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":46.002148,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.204000Z","spacegroup":1},{"id":"mp-1069712","created_at":"2022-09-04T14:40:26.664276Z","structure_string":"Ba1 Cd2 Ge2\n1.0\n-2.384968 2.384968 5.784542\n2.384968 -2.384968 5.784542\n2.384968 2.384968 -5.784542\nBa Cd Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.612172 0.612172 0.000000 Ge\n0.387828 0.387828 0.000000 Ge\n","nsites":5,"nelements":3,"elements":["Ba","Cd","Ge"],"chemical_system":"Ba-Cd-Ge","density":6.402215649807767,"density_atomic":0.03799057979770671,"volume":131.61157388553,"volume_molar":15.851668471676035,"formula_full":"Ba1 Cd2 Ge2","formula_reduced":"Ba(CdGe)2","formula_anonymous":"AB2C2","energy":-14.76859322,"energy_per_atom":-2.953718644,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.76859322,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000557,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.380000Z","spacegroup":139}]}