{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12131","results":[{"id":"mp-1217770","created_at":"2022-09-04T14:45:35.732030Z","structure_string":"Ta2 Ag1 S4\n1.0\n1.690468 -2.927976 0.000000\n1.690468 2.927976 0.000000\n0.000000 0.000000 14.008840\nTa Ag S\n2 1 4\ndirect\n0.000000 0.000000 0.242740 Ta\n0.000000 0.000000 0.757260 Ta\n0.000000 0.000000 0.500000 Ag\n0.666667 0.333333 0.355272 S\n0.333333 0.666667 0.644728 S\n0.333333 0.666667 0.865208 S\n0.666667 0.333333 0.134792 S\n","nsites":7,"nelements":3,"elements":["Ta","Ag","S"],"chemical_system":"Ag-S-Ta","density":7.160791761729355,"density_atomic":0.05047675208525011,"volume":138.67770232477935,"volume_molar":11.93052348104572,"formula_full":"Ta2 Ag1 S4","formula_reduced":"Ta2AgS4","formula_anonymous":"AB2C4","energy":-50.95924738,"energy_per_atom":-7.279892482857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.94724738,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.021581,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.143000Z","spacegroup":164},{"id":"mp-1214006","created_at":"2022-09-04T14:45:35.470775Z","structure_string":"Ca2 Al4 Si4 H2 O18\n1.0\n2.914255 -4.485957 0.000000\n2.914255 4.485957 0.000000\n0.000000 0.000000 13.032583\nCa Al Si H O\n2 4 4 2 18\ndirect\n0.673731 0.326269 0.750000 Ca\n0.326269 0.673731 0.250000 Ca\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.979182 0.020818 0.130985 Si\n0.020818 0.979182 0.869015 Si\n0.020818 0.979182 0.630985 Si\n0.979182 0.020818 0.369015 Si\n0.331434 0.668566 0.750000 H\n0.668566 0.331434 0.250000 H\n0.890630 0.646345 0.616326 O\n0.109370 0.353655 0.383674 O\n0.109370 0.353655 0.116326 O\n0.353655 0.109370 0.883674 O\n0.890630 0.646345 0.883674 O\n0.646345 0.890630 0.116326 O\n0.646345 0.890630 0.383674 O\n0.353655 0.109370 0.616326 O\n0.349840 0.650160 0.559272 O\n0.650160 0.349840 0.440728 O\n0.650160 0.349840 0.059272 O\n0.349840 0.650160 0.940728 O\n0.952136 0.047864 0.750000 O\n0.047864 0.952136 0.250000 O\n0.863283 0.136717 0.565826 O\n0.136717 0.863283 0.434174 O\n0.136717 0.863283 0.065826 O\n0.863283 0.136717 0.934174 O\n","nsites":30,"nelements":5,"elements":["Ca","Al","Si","H","O"],"chemical_system":"Al-Ca-H-O-Si","density":2.8772248239697875,"density_atomic":0.08803960856566358,"volume":340.7557176679717,"volume_molar":6.840262988571149,"formula_full":"Ca2 Al4 Si4 H2 O18","formula_reduced":"CaAl2Si2HO9","formula_anonymous":"ABC2D2E9","energy":-216.91631972,"energy_per_atom":-7.230543990666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.55031972,"band_gap":0.1492999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0009491,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.758000Z","spacegroup":63},{"id":"mp-1038196","created_at":"2022-09-04T14:45:35.491931Z","structure_string":"Mg30 Nb1 Al1 O32\n1.0\n8.580637 0.000000 0.000000\n0.000000 8.580637 0.000000\n0.000000 0.000000 8.583799\nMg Nb Al O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249351 0.249351 0.000000 Mg\n0.249351 0.750649 0.000000 Mg\n0.750649 0.249351 0.000000 Mg\n0.750649 0.750649 0.000000 Mg\n0.250495 0.250495 0.500000 Mg\n0.250495 0.749505 0.500000 Mg\n0.749505 0.250495 0.500000 Mg\n0.749505 0.749505 0.500000 Mg\n0.000000 0.250865 0.251006 Mg\n0.000000 0.749135 0.251006 Mg\n0.500000 0.248861 0.252319 Mg\n0.500000 0.751139 0.252319 Mg\n0.000000 0.250865 0.748994 Mg\n0.000000 0.749135 0.748994 Mg\n0.500000 0.248861 0.747681 Mg\n0.500000 0.751139 0.747681 Mg\n0.250865 0.000000 0.251006 Mg\n0.248861 0.500000 0.252319 Mg\n0.749135 0.000000 0.251006 Mg\n0.751139 0.500000 0.252319 Mg\n0.250865 0.000000 0.748994 Mg\n0.248861 0.500000 0.747681 Mg\n0.749135 0.000000 0.748994 Mg\n0.751139 0.500000 0.747681 Mg\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.235206 O\n0.000000 0.500000 0.249531 O\n0.500000 0.000000 0.249531 O\n0.500000 0.500000 0.262152 O\n0.000000 0.000000 0.764794 O\n0.000000 0.500000 0.750469 O\n0.500000 0.000000 0.750469 O\n0.500000 0.500000 0.737848 O\n0.249829 0.249829 0.249468 O\n0.249829 0.750171 0.249468 O\n0.750171 0.249829 0.249468 O\n0.750171 0.750171 0.249468 O\n0.249829 0.249829 0.750532 O\n0.249829 0.750171 0.750532 O\n0.750171 0.249829 0.750532 O\n0.750171 0.750171 0.750532 O\n0.000000 0.233319 0.000000 O\n0.000000 0.766681 0.000000 O\n0.500000 0.235841 0.000000 O\n0.500000 0.764159 0.000000 O\n0.000000 0.247643 0.500000 O\n0.000000 0.752357 0.500000 O\n0.500000 0.247982 0.500000 O\n0.500000 0.752018 0.500000 O\n0.233319 0.000000 0.000000 O\n0.235841 0.500000 0.000000 O\n0.766681 0.000000 0.000000 O\n0.764159 0.500000 0.000000 O\n0.247643 0.000000 0.500000 O\n0.247982 0.500000 0.500000 O\n0.752357 0.000000 0.500000 O\n0.752018 0.500000 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","Nb","Al","O"],"chemical_system":"Al-Mg-Nb-O","density":3.5759760109967185,"density_atomic":0.10126546819435098,"volume":632.0022130068046,"volume_molar":5.9468848239976255,"formula_full":"Mg30 Nb1 Al1 O32","formula_reduced":"Mg30NbAlO32","formula_anonymous":"ABC30D32","energy":-408.67807628,"energy_per_atom":-6.385594941875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.69407628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1011827,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.873000Z","spacegroup":123},{"id":"mp-1069697","created_at":"2022-09-04T14:45:35.519013Z","structure_string":"V1 Au4\n1.0\n-3.262594 3.262594 2.031688\n3.262594 -3.262594 2.031688\n3.262594 3.262594 -2.031688\nV Au\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.396567 0.205059 0.601625 Au\n0.603433 0.794941 0.398375 Au\n0.794941 0.396567 0.191508 Au\n0.205059 0.603433 0.808492 Au\n","nsites":5,"nelements":2,"elements":["V","Au"],"chemical_system":"Au-V","density":16.10157918508274,"density_atomic":0.05779987925646253,"volume":86.50537102014718,"volume_molar":10.418950415587023,"formula_full":"V1 Au4","formula_reduced":"VAu4","formula_anonymous":"AB4","energy":-22.1449948,"energy_per_atom":-4.4289989599999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.1449948,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9142103,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.171000Z","spacegroup":87},{"id":"mp-1193089","created_at":"2022-09-04T14:45:35.524377Z","structure_string":"Hf6 Ga16 Rh7\n1.0\n0.000000 6.182279 6.182279\n6.182279 0.000000 6.182279\n6.182279 6.182279 0.000000\nHf Ga Rh\n6 16 7\ndirect\n0.690823 0.690823 0.309177 Hf\n0.309177 0.690823 0.309177 Hf\n0.690823 0.309177 0.309177 Hf\n0.309177 0.309177 0.690823 Hf\n0.690823 0.309177 0.690823 Hf\n0.309177 0.690823 0.690823 Hf\n0.878212 0.878212 0.365365 Ga\n0.878212 0.365365 0.878212 Ga\n0.365365 0.878212 0.878212 Ga\n0.878212 0.878212 0.878212 Ga\n0.121788 0.121788 0.634635 Ga\n0.121788 0.634635 0.121788 Ga\n0.634635 0.121788 0.121788 Ga\n0.121788 0.121788 0.121788 Ga\n0.656380 0.656380 0.030860 Ga\n0.656380 0.030860 0.656380 Ga\n0.030860 0.656380 0.656380 Ga\n0.656380 0.656380 0.656380 Ga\n0.343620 0.343620 0.969140 Ga\n0.343620 0.969140 0.343620 Ga\n0.969140 0.343620 0.343620 Ga\n0.343620 0.343620 0.343620 Ga\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n","nsites":29,"nelements":3,"elements":["Hf","Ga","Rh"],"chemical_system":"Ga-Hf-Rh","density":10.213989318390977,"density_atomic":0.06136520662905873,"volume":472.5804994888979,"volume_molar":9.81360789087328,"formula_full":"Hf6 Ga16 Rh7","formula_reduced":"Hf6Ga16Rh7","formula_anonymous":"A6B7C16","energy":-177.03847371,"energy_per_atom":-6.104774955517241,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.03847371,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.5516836,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.513000Z","spacegroup":225},{"id":"mp-17908","created_at":"2022-09-04T14:45:35.539311Z","structure_string":"Ba8 Ti4 S16\n1.0\n6.906657 0.000000 0.000000\n0.000000 9.139390 0.000000\n0.000000 0.000000 12.640348\nBa Ti S\n8 4 16\ndirect\n0.250000 0.132192 0.074796 Ba\n0.750000 0.867808 0.925204 Ba\n0.250000 0.632192 0.425204 Ba\n0.750000 0.367808 0.574796 Ba\n0.250000 0.476588 0.825152 Ba\n0.750000 0.523412 0.174848 Ba\n0.250000 0.976588 0.674848 Ba\n0.750000 0.023412 0.325152 Ba\n0.250000 0.226960 0.427673 Ti\n0.750000 0.773040 0.572327 Ti\n0.250000 0.726960 0.072327 Ti\n0.750000 0.273040 0.927673 Ti\n0.250000 0.306802 0.597458 S\n0.750000 0.693198 0.402542 S\n0.250000 0.806802 0.902542 S\n0.750000 0.193198 0.097458 S\n0.991575 0.831728 0.148224 S\n0.491575 0.168272 0.851776 S\n0.508425 0.331728 0.351776 S\n0.008425 0.668272 0.648224 S\n0.008425 0.168272 0.851776 S\n0.508425 0.831728 0.148224 S\n0.491575 0.668272 0.648224 S\n0.991575 0.331728 0.351776 S\n0.750000 0.019078 0.588666 S\n0.250000 0.980922 0.411334 S\n0.750000 0.519078 0.911334 S\n0.250000 0.480922 0.088666 S\n","nsites":28,"nelements":3,"elements":["Ba","Ti","S"],"chemical_system":"Ba-S-Ti","density":3.7525852068070056,"density_atomic":0.035092467153599115,"volume":797.8920341349751,"volume_molar":17.160779074441237,"formula_full":"Ba8 Ti4 S16","formula_reduced":"Ba2TiS4","formula_anonymous":"AB2C4","energy":-171.90985852,"energy_per_atom":-6.139637804285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.86185852,"band_gap":2.2356,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.441000Z","spacegroup":62},{"id":"mp-867835","created_at":"2022-09-04T14:45:35.636612Z","structure_string":"Be1 Si1 Ru2\n1.0\n0.000000 2.867139 2.867139\n2.867139 0.000000 2.867139\n2.867139 2.867139 0.000000\nBe Si Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Be","Si","Ru"],"chemical_system":"Be-Ru-Si","density":8.427571445398009,"density_atomic":0.08485623352040718,"volume":47.138552278991206,"volume_molar":7.0968749261675965,"formula_full":"Be1 Si1 Ru2","formula_reduced":"BeSiRu2","formula_anonymous":"ABC2","energy":-29.93211406,"energy_per_atom":-7.483028515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.93211406,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0094561,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.532000Z","spacegroup":225},{"id":"mp-1031596","created_at":"2022-09-04T14:45:35.665710Z","structure_string":"Cs1 Na1 Mg6 O7\n1.0\n9.101870 0.000015 -0.000010\n0.000007 4.611728 -0.000309\n-0.000004 -0.000309 4.611535\nCs Na Mg O\n1 1 6 7\ndirect\n0.013559 0.500000 0.499999 Cs\n0.004881 0.000000 0.000000 Na\n0.496244 0.000002 0.000004 Mg\n0.498454 0.500000 0.500004 Mg\n0.264982 0.000000 0.500014 Mg\n0.721009 -0.000006 0.500006 Mg\n0.265004 0.500011 0.000000 Mg\n0.720990 0.499997 0.000013 Mg\n0.274961 -0.000010 -0.000007 O\n0.724408 0.000001 -0.000006 O\n0.714214 0.500006 0.499981 O\n0.032594 -0.000001 0.499997 O\n0.493068 -0.000001 0.499998 O\n0.032563 0.500003 0.000000 O\n0.493069 0.499996 -0.000004 O\n","nsites":15,"nelements":4,"elements":["Cs","Na","Mg","O"],"chemical_system":"Cs-Mg-Na-O","density":3.5490887963904405,"density_atomic":0.07749103096584999,"volume":193.57078894214797,"volume_molar":7.771403586892444,"formula_full":"Cs1 Na1 Mg6 O7","formula_reduced":"CsNaMg6O7","formula_anonymous":"ABC6D7","energy":-77.51976012,"energy_per_atom":-5.167984008,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.71076012,"band_gap":0.0998999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.8066738,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.037000Z","spacegroup":99},{"id":"mp-23956","created_at":"2022-09-04T14:45:35.668675Z","structure_string":"K2 Mg1 H4\n1.0\n-2.019563 2.019563 6.842501\n2.019563 -2.019563 6.842501\n2.019563 2.019563 -6.842501\nK Mg H\n2 1 4\ndirect\n0.643741 0.643741 0.000000 K\n0.356259 0.356259 0.000000 K\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.853024 0.853024 0.000000 H\n0.146976 0.146976 0.000000 H\n","nsites":7,"nelements":3,"elements":["K","Mg","H"],"chemical_system":"H-K-Mg","density":1.5846926742491134,"density_atomic":0.06270589460688042,"volume":111.6322483537604,"volume_molar":9.603787327737479,"formula_full":"K2 Mg1 H4","formula_reduced":"K2MgH4","formula_anonymous":"AB2C4","energy":-19.82483366,"energy_per_atom":-2.8321190942857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.10883366,"band_gap":3.4385,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027512,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.621000Z","spacegroup":139},{"id":"mp-1102763","created_at":"2022-09-04T14:45:35.669972Z","structure_string":"La4 Zn4 Pd4\n1.0\n7.271588 0.000000 0.000000\n0.000000 4.442434 0.000000\n0.000000 0.000000 8.212317\nLa Zn Pd\n4 4 4\ndirect\n0.032295 0.250000 0.304398 La\n0.532295 0.250000 0.195602 La\n0.967705 0.750000 0.695602 La\n0.467705 0.750000 0.804398 La\n0.653832 0.250000 0.570565 Zn\n0.153832 0.250000 0.929435 Zn\n0.346168 0.750000 0.429435 Zn\n0.846168 0.750000 0.070565 Zn\n0.271401 0.250000 0.606758 Pd\n0.771401 0.250000 0.893242 Pd\n0.728599 0.750000 0.393242 Pd\n0.228599 0.750000 0.106758 Pd\n","nsites":12,"nelements":3,"elements":["La","Zn","Pd"],"chemical_system":"La-Pd-Zn","density":7.780053217528775,"density_atomic":0.045234031112583444,"volume":265.2869908970323,"volume_molar":13.313296674823059,"formula_full":"La4 Zn4 Pd4","formula_reduced":"LaZnPd","formula_anonymous":"ABC","energy":-54.06311362999999,"energy_per_atom":-4.505259469166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.06311362999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.067883,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.302000Z","spacegroup":62},{"id":"mp-1074856","created_at":"2022-09-04T14:45:35.518062Z","structure_string":"Mg14 Si8\n1.0\n5.379307 0.000000 0.000000\n-0.389354 6.050589 0.000000\n-2.259112 -2.467374 13.420391\nMg Si\n14 8\ndirect\n0.312062 0.960631 0.202953 Mg\n0.222651 0.503585 0.266807 Mg\n0.925503 0.892154 0.362164 Mg\n0.731520 0.334185 0.333210 Mg\n0.985715 0.500296 0.038333 Mg\n0.230722 0.905323 0.579812 Mg\n0.165759 0.352996 0.837177 Mg\n0.393112 0.432695 0.656894 Mg\n0.481180 0.249030 0.049361 Mg\n0.480907 0.734776 0.010141 Mg\n0.979021 0.976389 0.980854 Mg\n0.317798 0.871418 0.805934 Mg\n0.822191 0.225938 0.548547 Mg\n0.658860 0.684960 0.512116 Mg\n0.672786 0.213853 0.863983 Si\n0.807799 0.019189 0.166376 Si\n0.714132 0.612861 0.189499 Si\n0.909322 0.619951 0.695665 Si\n0.707293 0.598290 0.843314 Si\n0.434183 0.967960 0.402224 Si\n0.268173 0.331862 0.448781 Si\n0.775650 0.004210 0.702125 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.147697108126066,"density_atomic":0.05036554384744494,"volume":436.8065609821876,"volume_molar":11.956866341482991,"formula_full":"Mg14 Si8","formula_reduced":"Mg7Si4","formula_anonymous":"A4B7","energy":-64.09455905,"energy_per_atom":-2.913389047727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.66255905,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010735,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.482000Z","spacegroup":1},{"id":"mp-1077288","created_at":"2022-09-04T14:45:35.544311Z","structure_string":"Na4 Cl2\n1.0\n-1.962941 3.548984 6.877575\n1.962941 -3.548984 6.877575\n1.962941 3.548984 -6.877575\nNa Cl\n4 2\ndirect\n0.157151 0.644113 0.513039 Na\n0.368926 0.355887 0.013039 Na\n0.842849 0.355887 0.486961 Na\n0.631074 0.644113 0.986961 Na\n0.145151 0.895151 0.250000 Cl\n0.854849 0.104849 0.750000 Cl\n","nsites":6,"nelements":2,"elements":["Na","Cl"],"chemical_system":"Cl-Na","density":1.411141137890319,"density_atomic":0.03130722946065613,"volume":191.64902494934003,"volume_molar":19.235623412694626,"formula_full":"Na4 Cl2","formula_reduced":"Na2Cl","formula_anonymous":"AB2","energy":-16.042354420000002,"energy_per_atom":-2.673725736666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.81435442,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0403878,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.786000Z","spacegroup":74}]}