{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=94","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=92","results":[{"id":"mp-1211709","created_at":"2022-09-04T14:45:21.491217Z","structure_string":"K2 Rb1 Ho1 V2 O8\n1.0\n3.008032 -5.210064 0.000000\n3.008032 5.210064 0.000000\n0.000000 0.000000 7.813232\nK Rb Ho V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.702589 K\n0.666667 0.333333 0.297411 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ho\n0.333333 0.666667 0.251917 V\n0.666667 0.333333 0.748083 V\n0.333333 0.666667 0.035970 O\n0.666667 0.333333 0.964030 O\n0.173911 0.826089 0.330054 O\n0.826089 0.173911 0.669946 O\n0.173911 0.347823 0.330054 O\n0.826089 0.652177 0.669946 O\n0.652177 0.826089 0.330054 O\n0.347823 0.173911 0.669946 O\n","nsites":14,"nelements":5,"elements":["K","Rb","Ho","V","O"],"chemical_system":"Ho-K-O-Rb-V","density":3.7867356714827394,"density_atomic":0.05716652714235093,"volume":244.89855689743865,"volume_molar":10.53438272540889,"formula_full":"K2 Rb1 Ho1 V2 O8","formula_reduced":"K2RbHoV2O8","formula_anonymous":"ABC2D2E8","energy":-103.88243809,"energy_per_atom":-7.420174149285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.98643809,"band_gap":3.3687,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010849,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.789000Z","spacegroup":164},{"id":"mp-1096273","created_at":"2022-09-04T14:45:21.679525Z","structure_string":"Mn2 Cr1 Fe1\n1.0\n-4.761419 5.151687 6.793831\n4.761419 -5.151687 6.793831\n4.761419 5.151687 -6.793831\nMn Cr Fe\n2 1 1\ndirect\n0.271537 0.000000 0.271537 Mn\n0.728463 0.000000 0.728463 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Fe\n","nsites":4,"nelements":3,"elements":["Mn","Cr","Fe"],"chemical_system":"Cr-Fe-Mn","density":0.5423519646607768,"density_atomic":0.006000665126678229,"volume":666.5927718939831,"volume_molar":100.35788754860346,"formula_full":"Mn2 Cr1 Fe1","formula_reduced":"Mn2CrFe","formula_anonymous":"ABC2","energy":-24.1006382,"energy_per_atom":-6.02515955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.1006382,"band_gap":0.2353999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.273000Z","spacegroup":71},{"id":"mp-15986","created_at":"2022-09-04T14:45:22.085595Z","structure_string":"Hf1 Cu2 P2\n1.0\n1.901535 -3.293555 0.000000\n1.901535 3.293555 0.000000\n0.000000 0.000000 6.135113\nHf Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.637851 Cu\n0.666667 0.333333 0.362149 Cu\n0.666667 0.333333 0.753913 P\n0.333333 0.666667 0.246087 P\n","nsites":5,"nelements":3,"elements":["Hf","Cu","P"],"chemical_system":"Cu-Hf-P","density":7.94181056953066,"density_atomic":0.06506511454505257,"volume":76.84609540705391,"volume_molar":9.255560067953363,"formula_full":"Hf1 Cu2 P2","formula_reduced":"Hf(CuP)2","formula_anonymous":"AB2C2","energy":-32.05723668,"energy_per_atom":-6.411447336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.05723668,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.671000Z","spacegroup":164},{"id":"mp-558543","created_at":"2022-09-04T14:45:21.411160Z","structure_string":"Ca4 C8 O16\n1.0\n7.486570 0.000000 0.000000\n0.000000 6.236674 0.000000\n0.000000 0.148897 9.666904\nCa C O\n4 8 16\ndirect\n0.500000 0.404829 0.180818 Ca\n0.500000 0.595171 0.819182 Ca\n0.000000 0.586287 0.679544 Ca\n0.000000 0.413713 0.320456 Ca\n0.895361 0.500000 0.000000 C\n0.395490 0.500000 0.500000 C\n0.500000 0.931115 0.068420 C\n0.104639 0.500000 0.000000 C\n0.604510 0.500000 0.500000 C\n0.000000 0.064736 0.568697 C\n0.500000 0.068885 0.931580 C\n0.000000 0.935264 0.431303 C\n0.180401 0.548156 0.886477 O\n0.180401 0.451844 0.113523 O\n0.819599 0.451844 0.113523 O\n0.680235 0.548410 0.612545 O\n0.500000 0.728572 0.052114 O\n0.319765 0.548410 0.612545 O\n0.500000 0.026691 0.181904 O\n0.000000 0.037417 0.318292 O\n0.319765 0.451590 0.387455 O\n0.680235 0.451590 0.387455 O\n0.000000 0.962583 0.681708 O\n0.500000 0.973309 0.818096 O\n0.500000 0.271428 0.947886 O\n0.000000 0.731833 0.446664 O\n0.000000 0.268167 0.553336 O\n0.819599 0.548156 0.886477 O\n","nsites":28,"nelements":3,"elements":["Ca","C","O"],"chemical_system":"C-Ca-O","density":1.8850579633156492,"density_atomic":0.06203470088946779,"volume":451.3602805934351,"volume_molar":9.707696940024153,"formula_full":"Ca4 C8 O16","formula_reduced":"Ca(CO2)2","formula_anonymous":"AB2C4","energy":-224.12226166,"energy_per_atom":-8.004366487857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.13026166,"band_gap":3.1204,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008478,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.124000Z","spacegroup":10},{"id":"mp-979043","created_at":"2022-09-04T14:45:21.415454Z","structure_string":"Tm2 Co1 Cu1\n1.0\n0.000000 3.352756 3.352756\n3.352756 0.000000 3.352756\n3.352756 3.352756 0.000000\nTm Co Cu\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Tm","Co","Cu"],"chemical_system":"Co-Cu-Tm","density":10.14142899070151,"density_atomic":0.053066952816214576,"volume":75.37647797214018,"volume_molar":11.348194008531687,"formula_full":"Tm2 Co1 Cu1","formula_reduced":"Tm2CoCu","formula_anonymous":"ABC2","energy":-21.15095737,"energy_per_atom":-5.2877393425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.15095737,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2182557,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.171000Z","spacegroup":225},{"id":"mp-1019601","created_at":"2022-09-04T14:45:21.658855Z","structure_string":"Ce1 Zr7 O16\n1.0\n7.352959 0.000000 0.000000\n0.000000 7.352959 0.000000\n0.000000 0.000000 5.332256\nCe Zr O\n1 7 16\ndirect\n0.000000 0.000000 0.000000 Ce\n0.747978 0.252022 0.500000 Zr\n0.500000 0.000000 0.999350 Zr\n0.252022 0.252022 0.500000 Zr\n0.000000 0.500000 0.000650 Zr\n0.747978 0.747978 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.252022 0.747978 0.500000 Zr\n0.000000 0.265346 0.785557 O\n0.751539 0.000000 0.698948 O\n0.734654 0.000000 0.214443 O\n0.000000 0.248461 0.301052 O\n0.500000 0.244868 0.808877 O\n0.248461 0.000000 0.698948 O\n0.265346 0.000000 0.214443 O\n0.500000 0.267502 0.308488 O\n0.000000 0.734654 0.785557 O\n0.732498 0.500000 0.691512 O\n0.755132 0.500000 0.191123 O\n0.000000 0.751539 0.301052 O\n0.500000 0.755132 0.808877 O\n0.267502 0.500000 0.691512 O\n0.244868 0.500000 0.191123 O\n0.500000 0.732498 0.308488 O\n","nsites":24,"nelements":3,"elements":["Ce","Zr","O"],"chemical_system":"Ce-O-Zr","density":5.959605620009455,"density_atomic":0.0832484126720909,"volume":288.29378518644137,"volume_molar":7.233940644274803,"formula_full":"Ce1 Zr7 O16","formula_reduced":"CeZr7O16","formula_anonymous":"AB7C16","energy":-235.72439742999995,"energy_per_atom":-9.821849892916665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-224.73239743,"band_gap":1.7935000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002253,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.316000Z","spacegroup":115},{"id":"mp-1227292","created_at":"2022-09-04T14:45:21.705893Z","structure_string":"Be4 Cu1 Ge1\n1.0\n0.000000 3.123046 3.123046\n3.123046 0.000000 3.123046\n3.123046 3.123046 0.000000\nBe Cu Ge\n4 1 1\ndirect\n0.624313 0.624313 0.127061 Be\n0.624313 0.127061 0.624313 Be\n0.127061 0.624313 0.624313 Be\n0.624313 0.624313 0.624313 Be\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Ge\n","nsites":6,"nelements":3,"elements":["Be","Cu","Ge"],"chemical_system":"Be-Cu-Ge","density":4.69466580594491,"density_atomic":0.09848863342239295,"volume":60.920735637253806,"volume_molar":6.114554086838179,"formula_full":"Be4 Cu1 Ge1","formula_reduced":"Be4CuGe","formula_anonymous":"ABC4","energy":-22.65811195,"energy_per_atom":-3.7763519916666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.65811195,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007098,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.786000Z","spacegroup":216},{"id":"mp-559902","created_at":"2022-09-04T14:45:21.895855Z","structure_string":"Te4 C16 Br8 F24\n1.0\n9.363847 0.000000 0.000000\n0.260601 11.057069 0.000000\n0.422224 5.197140 10.049063\nTe C Br F\n4 16 8 24\ndirect\n0.917668 0.110857 0.631058 Te\n0.082332 0.889143 0.368942 Te\n0.215038 0.330082 0.208177 Te\n0.784962 0.669918 0.791823 Te\n0.666019 0.116757 0.821270 C\n0.654154 0.526832 0.639065 C\n0.639932 0.549473 0.745363 C\n0.333981 0.883243 0.178730 C\n0.484395 0.797828 0.798786 C\n0.137587 0.220226 0.756737 C\n0.996361 0.767112 0.285428 C\n0.389346 0.243846 0.142950 C\n0.345846 0.473168 0.360935 C\n0.862413 0.779774 0.243263 C\n0.515605 0.202172 0.201214 C\n0.360068 0.450527 0.254637 C\n0.003639 0.232888 0.714572 C\n0.704421 0.126636 0.701909 C\n0.295579 0.873364 0.298091 C\n0.610654 0.756154 0.857050 C\n0.031055 0.125851 0.137791 Br\n0.205086 0.531196 0.966854 Br\n0.135337 0.661774 0.590080 Br\n0.968945 0.874149 0.862209 Br\n0.235431 0.102472 0.463133 Br\n0.864663 0.338226 0.409920 Br\n0.794914 0.468804 0.033146 Br\n0.764569 0.897528 0.536867 Br\n0.399153 0.852465 0.386062 F\n0.531466 0.126838 0.857735 F\n0.751254 0.586138 0.541599 F\n0.446744 0.790283 0.690884 F\n0.920056 0.334791 0.714253 F\n0.243838 0.902966 0.083891 F\n0.571837 0.442146 0.619025 F\n0.365718 0.231750 0.031796 F\n0.382363 0.852791 0.843756 F\n0.464695 0.516743 0.163102 F\n0.634282 0.768250 0.968204 F\n0.553256 0.209717 0.309116 F\n0.805092 0.698514 0.201379 F\n0.468534 0.873162 0.142265 F\n0.756162 0.097034 0.916109 F\n0.248746 0.413862 0.458401 F\n0.771858 0.875829 0.238704 F\n0.079944 0.665209 0.285747 F\n0.228142 0.124171 0.761296 F\n0.194908 0.301486 0.798621 F\n0.535305 0.483257 0.836898 F\n0.428163 0.557854 0.380975 F\n0.600847 0.147535 0.613938 F\n0.617637 0.147209 0.156244 F\n","nsites":52,"nelements":4,"elements":["Te","C","Br","F"],"chemical_system":"Br-C-F-Te","density":2.8692083835160234,"density_atomic":0.04997852629013996,"volume":1040.446845073518,"volume_molar":12.049456450635843,"formula_full":"Te4 C16 Br8 F24","formula_reduced":"TeC4(BrF3)2","formula_anonymous":"AB2C4D6","energy":-271.76491491,"energy_per_atom":-5.226248363653847,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.40491491,"band_gap":2.5133,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.49e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.724000Z","spacegroup":2},{"id":"mp-640578","created_at":"2022-09-04T14:45:21.902856Z","structure_string":"K6 Ti6 I18\n1.0\n7.029040 -12.174654 0.000000\n7.029040 12.174654 0.000000\n0.000000 0.000000 6.965316\nK Ti I\n6 6 18\ndirect\n0.995092 0.678875 0.406307 K\n0.004908 0.321125 0.906307 K\n0.683783 0.004908 0.406307 K\n0.316217 0.995092 0.906307 K\n0.321125 0.316217 0.406307 K\n0.678875 0.683783 0.906307 K\n0.000000 0.000000 0.602459 Ti\n0.333333 0.666667 0.779724 Ti\n0.000000 0.000000 0.102459 Ti\n0.333333 0.666667 0.252015 Ti\n0.666667 0.333333 0.279724 Ti\n0.666667 0.333333 0.752015 Ti\n0.283632 0.796213 0.518964 I\n0.146677 0.614994 0.018840 I\n0.385006 0.531682 0.018840 I\n0.018271 0.844914 0.851823 I\n0.853323 0.385006 0.518840 I\n0.844914 0.826643 0.351823 I\n0.796213 0.512580 0.018964 I\n0.531682 0.146677 0.518840 I\n0.155086 0.173357 0.851823 I\n0.512580 0.716368 0.518964 I\n0.826643 0.981729 0.851823 I\n0.716368 0.203787 0.018964 I\n0.203787 0.487420 0.518964 I\n0.614994 0.468318 0.518840 I\n0.173357 0.018271 0.351823 I\n0.981729 0.155086 0.351823 I\n0.468318 0.853323 0.018840 I\n0.487420 0.283632 0.018964 I\n","nsites":30,"nelements":3,"elements":["K","Ti","I"],"chemical_system":"I-K-Ti","density":3.908629323269728,"density_atomic":0.025165049710653052,"volume":1192.1295743477185,"volume_molar":23.93057366960282,"formula_full":"K6 Ti6 I18","formula_reduced":"KTiI3","formula_anonymous":"ABC3","energy":-117.53353407,"energy_per_atom":-3.917784469,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.71153407,"band_gap":0.1457000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9978573,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.183000Z","spacegroup":173},{"id":"mp-1175047","created_at":"2022-09-04T14:45:21.924583Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n3.023432 0.000000 0.000000\n0.149242 5.049139 0.000000\n0.860787 0.737830 14.317556\nLi Mn Co O\n7 2 3 12\ndirect\n0.004251 0.335618 0.167694 Li\n0.506719 0.170418 0.334155 Li\n0.999858 0.999873 0.500287 Li\n0.491803 0.829659 0.666611 Li\n0.996294 0.665462 0.832188 Li\n0.500195 0.499963 0.999352 Li\n0.499405 0.499968 0.500697 Li\n0.993177 0.001731 0.998174 Mn\n0.504235 0.828422 0.169459 Mn\n0.010823 0.662251 0.342532 Co\n0.997999 0.334606 0.658916 Co\n0.494545 0.173816 0.829838 Co\n0.529274 0.148358 0.085399 O\n0.026322 0.965834 0.254123 O\n0.529313 0.823352 0.411260 O\n0.001098 0.632972 0.593543 O\n0.533320 0.479831 0.748466 O\n0.989013 0.315559 0.914997 O\n0.475282 0.517226 0.252154 O\n0.998644 0.365576 0.408224 O\n0.475901 0.176075 0.589701 O\n0.008249 0.035057 0.746946 O\n0.462987 0.855636 0.912740 O\n0.971293 0.682734 0.082545 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.005749370179015,"density_atomic":0.10980568339400555,"volume":218.56792160641655,"volume_molar":5.484361623060358,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-156.44432548,"energy_per_atom":-6.5185135616666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.95032548,"band_gap":0.0291000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0002026,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.453000Z","spacegroup":1},{"id":"mp-22158","created_at":"2022-09-04T14:45:22.098919Z","structure_string":"Tb2 Co2 C2\n1.0\n3.625730 0.000000 0.000000\n0.000000 3.625730 0.000000\n0.000000 0.000000 6.990575\nTb Co C\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Tb\n0.000000 0.000000 0.250000 Tb\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n","nsites":6,"nelements":3,"elements":["Tb","Co","C"],"chemical_system":"C-Co-Tb","density":8.307228243080917,"density_atomic":0.06529011459001723,"volume":91.89752595283991,"volume_molar":9.223663946395918,"formula_full":"Tb2 Co2 C2","formula_reduced":"TbCoC","formula_anonymous":"ABC","energy":-43.74234428,"energy_per_atom":-7.290390713333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.74234428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0060388,"is_theoretical":false,"updated_at":"2021-11-28T01:37:03.976000Z","spacegroup":131},{"id":"mp-1216104","created_at":"2022-09-04T14:45:21.494581Z","structure_string":"Y4 Ti2 Sn2 O14\n1.0\n-3.653134 3.664346 5.180698\n3.653134 -3.664346 5.180698\n3.653134 3.664346 -5.180698\nY Ti Sn O\n4 2 2 14\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.623408 0.373408 0.250000 O\n0.376592 0.626592 0.750000 O\n0.340876 0.079492 0.669067 O\n0.340876 0.671809 0.261384 O\n0.319454 0.069454 0.250000 O\n0.910424 0.671809 0.830933 O\n0.910424 0.079492 0.238616 O\n0.904797 0.654797 0.250000 O\n0.659124 0.920508 0.330933 O\n0.659124 0.328191 0.738616 O\n0.680546 0.930546 0.750000 O\n0.089576 0.328191 0.169067 O\n0.089576 0.920508 0.761384 O\n0.095203 0.345203 0.750000 O\n","nsites":22,"nelements":4,"elements":["Y","Ti","Sn","O"],"chemical_system":"O-Sn-Ti-Y","density":5.463860896514355,"density_atomic":0.07930714861167334,"volume":277.4024836994554,"volume_molar":7.5934400182351185,"formula_full":"Y4 Ti2 Sn2 O14","formula_reduced":"Y2TiSnO7","formula_anonymous":"ABC2D7","energy":-193.23999343,"energy_per_atom":-8.783636065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.62199343,"band_gap":2.8833,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.12e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.790000Z","spacegroup":74}]}