{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10193","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10191","results":[{"id":"mp-628773","created_at":"2022-09-04T14:46:39.587665Z","structure_string":"Sn2 Se2\n1.0\n2.000824 -5.599239 0.000000\n2.000824 5.599239 0.000000\n0.000000 0.000000 6.125123\nSn Se\n2 2\ndirect\n0.161011 0.838989 0.250000 Sn\n0.838989 0.161011 0.750000 Sn\n0.831372 0.168628 0.250000 Se\n0.168628 0.831372 0.750000 Se\n","nsites":4,"nelements":2,"elements":["Sn","Se"],"chemical_system":"Se-Sn","density":4.783404985340077,"density_atomic":0.029145887735881552,"volume":137.24063017904214,"volume_molar":20.662059823232397,"formula_full":"Sn2 Se2","formula_reduced":"SnSe","formula_anonymous":"AB","energy":-17.38165477,"energy_per_atom":-4.3454136925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.43765477,"band_gap":0.4429000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.986000Z","spacegroup":63},{"id":"mp-22559","created_at":"2022-09-04T14:46:57.859818Z","structure_string":"Pu1 Si2 Ru2\n1.0\n-2.078709 2.078709 4.888389\n2.078709 -2.078709 4.888389\n2.078709 2.078709 -4.888389\nPu Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.629743 0.629743 0.000000 Si\n0.370257 0.370257 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n","nsites":5,"nelements":3,"elements":["Pu","Si","Ru"],"chemical_system":"Pu-Ru-Si","density":9.87207949788065,"density_atomic":0.05917753378951726,"volume":84.4915237222289,"volume_molar":10.176396977642831,"formula_full":"Pu1 Si2 Ru2","formula_reduced":"Pu(SiRu)2","formula_anonymous":"AB2C2","energy":-47.16856043,"energy_per_atom":-9.433712086,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.31056043000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.1858066,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.990000Z","spacegroup":139},{"id":"mp-504539","created_at":"2022-09-04T14:46:56.441294Z","structure_string":"Ca4 Lu8 O16\n1.0\n3.294064 0.000000 0.000000\n0.000000 9.782299 0.000000\n0.000000 0.000000 11.577235\nCa Lu O\n4 8 16\ndirect\n0.750000 0.254055 0.851278 Ca\n0.250000 0.745945 0.148722 Ca\n0.750000 0.754055 0.648722 Ca\n0.250000 0.245945 0.351278 Ca\n0.750000 0.920804 0.390066 Lu\n0.250000 0.079196 0.609934 Lu\n0.750000 0.420804 0.109934 Lu\n0.250000 0.579196 0.890066 Lu\n0.750000 0.925346 0.886126 Lu\n0.250000 0.074654 0.113874 Lu\n0.750000 0.425346 0.613874 Lu\n0.250000 0.574654 0.386126 Lu\n0.750000 0.710257 0.320471 O\n0.250000 0.289743 0.679529 O\n0.750000 0.210257 0.179529 O\n0.250000 0.789743 0.820471 O\n0.750000 0.628098 0.022865 O\n0.250000 0.371902 0.977135 O\n0.750000 0.128098 0.477135 O\n0.250000 0.871902 0.522865 O\n0.750000 0.017393 0.715776 O\n0.250000 0.982607 0.284224 O\n0.750000 0.517393 0.784224 O\n0.250000 0.482607 0.215776 O\n0.750000 0.921150 0.077920 O\n0.250000 0.078850 0.922080 O\n0.750000 0.421150 0.422080 O\n0.250000 0.578850 0.577920 O\n","nsites":28,"nelements":3,"elements":["Ca","Lu","O"],"chemical_system":"Ca-Lu-O","density":8.083441694781806,"density_atomic":0.07505510149925494,"volume":373.0592516789542,"volume_molar":8.023626162253315,"formula_full":"Ca4 Lu8 O16","formula_reduced":"CaLu2O4","formula_anonymous":"AB2C4","energy":-231.22280905,"energy_per_atom":-8.257957466071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-220.23080905,"band_gap":3.9013,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025724,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.992000Z","spacegroup":62},{"id":"mp-675042","created_at":"2022-09-04T14:46:55.622120Z","structure_string":"Mg16 Ti8 O8\n1.0\n5.932729 0.000000 0.000000\n2.864101 5.411061 0.000000\n2.785390 1.793922 20.708139\nMg Ti O\n16 8 8\ndirect\n0.626894 0.622805 0.124912 Mg\n0.121749 0.625458 0.126435 Mg\n0.500000 0.500000 0.000000 Mg\n0.622832 0.129399 0.123421 Mg\n0.874823 0.875348 0.374870 Mg\n0.374946 0.875261 0.374741 Mg\n0.749301 0.749912 0.250170 Mg\n0.874577 0.374806 0.375110 Mg\n0.125177 0.124652 0.625130 Mg\n0.000000 0.000000 0.500000 Mg\n0.625054 0.124739 0.625259 Mg\n0.125423 0.625194 0.624890 Mg\n0.373106 0.377195 0.875088 Mg\n0.878251 0.374542 0.873565 Mg\n0.250699 0.250088 0.749830 Mg\n0.377168 0.870601 0.876579 Mg\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.750200 0.249549 0.251269 Ti\n0.249965 0.249113 0.250256 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.249800 0.750451 0.748731 Ti\n0.750035 0.750887 0.749744 Ti\n0.155414 0.164570 0.032567 O\n0.090752 0.091255 0.216169 O\n0.404653 0.412448 0.282723 O\n0.344558 0.336432 0.467519 O\n0.655442 0.663568 0.532481 O\n0.909248 0.908745 0.783831 O\n0.595347 0.587552 0.717277 O\n0.844586 0.835430 0.967433 O\n","nsites":32,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":2.2476178887514675,"density_atomic":0.04813621810595975,"volume":664.7801023661657,"volume_molar":12.51062297155081,"formula_full":"Mg16 Ti8 O8","formula_reduced":"Mg2TiO","formula_anonymous":"ABC2","energy":-156.40530536,"energy_per_atom":-4.8876657925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.90930536,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2147425,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.996000Z","spacegroup":2},{"id":"mp-764594","created_at":"2022-09-04T14:46:56.060465Z","structure_string":"Li4 Fe3 O1 F8\n1.0\n1.466933 4.929537 0.000000\n-1.466933 4.929537 0.000000\n0.000000 2.542113 11.383199\nLi Fe O F\n4 3 1 8\ndirect\n0.131980 0.131980 0.439471 Li\n0.226666 0.226666 0.123325 Li\n0.848774 0.848774 0.552038 Li\n0.002054 0.002054 0.007741 Li\n0.577017 0.577017 0.729835 Fe\n0.760740 0.760740 0.876957 Fe\n0.427815 0.427815 0.297124 Fe\n0.128303 0.128303 0.838916 O\n0.629479 0.629479 0.051872 F\n0.087743 0.087743 0.275186 F\n0.185082 0.185082 0.597212 F\n0.785543 0.785543 0.394225 F\n0.867532 0.867532 0.169933 F\n0.911336 0.911336 0.712676 F\n0.370918 0.370918 0.958292 F\n0.483363 0.483363 0.474491 F\n","nsites":16,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.6642625039487715,"density_atomic":0.09718724015705327,"volume":164.63066524107708,"volume_molar":6.196431496838785,"formula_full":"Li4 Fe3 O1 F8","formula_reduced":"Li4Fe3OF8","formula_anonymous":"AB3C4D8","energy":-95.88905848,"energy_per_atom":-5.993066155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.73805848,"band_gap":2.5653,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49Z","spacegroup":8},{"id":"mp-709352","created_at":"2022-09-04T14:46:59.890323Z","structure_string":"Na8 Sc8 P16 H48 C16 O52\n1.0\n18.060317 0.000000 0.000000\n0.000000 18.060317 0.000000\n0.000000 0.000000 5.455292\nNa Sc P H C O\n8 8 16 48 16 52\ndirect\n0.370351 0.033595 0.010038 Na\n0.629649 0.966405 0.010038 Na\n0.466405 0.870351 0.510038 Na\n0.533595 0.129649 0.510038 Na\n0.129649 0.466405 0.489962 Na\n0.870351 0.533595 0.489962 Na\n0.033595 0.629649 0.989962 Na\n0.966405 0.370351 0.989962 Na\n0.331197 0.153482 0.493044 Sc\n0.668803 0.846518 0.493044 Sc\n0.346518 0.831197 0.993044 Sc\n0.653482 0.168803 0.993044 Sc\n0.168803 0.346518 0.006956 Sc\n0.831197 0.653482 0.006956 Sc\n0.153482 0.668803 0.506956 Sc\n0.846518 0.331197 0.506956 Sc\n0.454682 0.182631 0.002970 P\n0.545318 0.817369 0.002970 P\n0.317369 0.954682 0.502970 P\n0.682631 0.045318 0.502970 P\n0.045318 0.317369 0.497030 P\n0.954682 0.682631 0.497030 P\n0.182631 0.545318 0.997030 P\n0.817369 0.454682 0.997030 P\n0.207881 0.154908 0.989981 P\n0.792119 0.845092 0.989981 P\n0.345092 0.707881 0.489981 P\n0.654908 0.292119 0.489981 P\n0.292119 0.345092 0.510019 P\n0.707881 0.654908 0.510019 P\n0.154908 0.792119 0.010019 P\n0.845092 0.207881 0.010019 P\n0.507956 0.300521 0.906837 H\n0.492044 0.699479 0.906837 H\n0.199479 0.007956 0.406837 H\n0.800521 0.992044 0.406837 H\n0.992044 0.199479 0.593163 H\n0.007956 0.800521 0.593163 H\n0.300521 0.492044 0.093163 H\n0.699479 0.507956 0.093163 H\n0.410892 0.297336 0.834480 H\n0.589108 0.702664 0.834480 H\n0.202664 0.910892 0.334480 H\n0.797336 0.089108 0.334480 H\n0.089108 0.202664 0.665520 H\n0.910892 0.797336 0.665520 H\n0.297336 0.589108 0.165520 H\n0.702664 0.410892 0.165520 H\n0.440131 0.308862 0.144265 H\n0.559869 0.691138 0.144265 H\n0.191138 0.940131 0.644265 H\n0.808862 0.059869 0.644265 H\n0.059869 0.191138 0.355735 H\n0.940131 0.808862 0.355735 H\n0.308862 0.559869 0.855735 H\n0.691138 0.440131 0.855735 H\n0.105536 0.083208 0.826667 H\n0.894464 0.916792 0.826667 H\n0.416792 0.605536 0.326667 H\n0.583208 0.394464 0.326667 H\n0.394464 0.416792 0.673333 H\n0.605536 0.583208 0.673333 H\n0.083208 0.894464 0.173333 H\n0.916792 0.105536 0.173333 H\n0.154012 0.034681 0.061948 H\n0.845988 0.965319 0.061948 H\n0.465319 0.654012 0.561948 H\n0.534681 0.345988 0.561948 H\n0.345988 0.465319 0.438052 H\n0.654012 0.534681 0.438052 H\n0.034681 0.845988 0.938052 H\n0.965319 0.154012 0.938052 H\n0.090615 0.106021 0.140987 H\n0.909385 0.893979 0.140987 H\n0.393979 0.590615 0.640987 H\n0.606021 0.409385 0.640987 H\n0.409385 0.393979 0.359013 H\n0.590615 0.606021 0.359013 H\n0.106021 0.909385 0.859013 H\n0.893979 0.090615 0.859013 H\n0.453278 0.282316 0.969318 C\n0.546722 0.717684 0.969318 C\n0.217684 0.953278 0.469318 C\n0.782316 0.046722 0.469318 C\n0.046722 0.217684 0.530682 C\n0.953278 0.782316 0.530682 C\n0.282316 0.546722 0.030682 C\n0.717684 0.453278 0.030682 C\n0.132232 0.088746 0.006348 C\n0.867768 0.911254 0.006348 C\n0.411254 0.632232 0.506348 C\n0.588746 0.367768 0.506348 C\n0.367768 0.411254 0.493652 C\n0.632232 0.588746 0.493652 C\n0.088746 0.867768 0.993652 C\n0.911254 0.132232 0.993652 C\n0.425359 0.160226 0.258394 O\n0.574641 0.839774 0.258394 O\n0.339774 0.925359 0.758394 O\n0.660226 0.074641 0.758394 O\n0.074641 0.339774 0.241606 O\n0.925359 0.660226 0.241606 O\n0.160226 0.574641 0.741606 O\n0.839774 0.425359 0.741606 O\n0.407711 0.148713 0.794371 O\n0.592289 0.851287 0.794371 O\n0.351287 0.907711 0.294371 O\n0.648713 0.092289 0.294371 O\n0.092289 0.351287 0.705629 O\n0.907711 0.648713 0.705629 O\n0.148713 0.592289 0.205629 O\n0.851287 0.407711 0.205629 O\n0.344894 0.035386 0.479432 O\n0.655106 0.964614 0.479432 O\n0.464614 0.844894 0.979432 O\n0.535386 0.155106 0.979432 O\n0.155106 0.464614 0.020568 O\n0.844894 0.535386 0.020568 O\n0.035386 0.655106 0.520568 O\n0.964614 0.344894 0.520568 O\n0.243390 0.145953 0.734582 O\n0.756610 0.854047 0.734582 O\n0.354047 0.743390 0.234582 O\n0.645953 0.256610 0.234582 O\n0.256610 0.354047 0.765418 O\n0.743390 0.645953 0.765418 O\n0.145953 0.756610 0.265418 O\n0.854047 0.243390 0.265418 O\n0.263905 0.133018 0.189889 O\n0.736095 0.866982 0.189889 O\n0.366982 0.763905 0.689889 O\n0.633018 0.236095 0.689889 O\n0.236095 0.366982 0.310111 O\n0.763905 0.633018 0.310111 O\n0.133018 0.736095 0.810111 O\n0.866982 0.263905 0.810111 O\n0.325678 0.267938 0.471621 O\n0.674322 0.732062 0.471621 O\n0.232062 0.825678 0.971621 O\n0.767938 0.174322 0.971621 O\n0.174322 0.232062 0.028379 O\n0.825678 0.767938 0.028379 O\n0.267938 0.674322 0.528379 O\n0.732062 0.325678 0.528379 O\n0.500000 0.000000 0.020390 O\n0.500000 0.000000 0.520390 O\n0.000000 0.500000 0.479610 O\n0.000000 0.500000 0.979610 O\n","nsites":148,"nelements":6,"elements":["Na","Sc","P","H","C","O"],"chemical_system":"C-H-Na-O-P-Sc","density":1.970632959366476,"density_atomic":0.08317503187617953,"volume":1779.3801416310087,"volume_molar":7.240322755709912,"formula_full":"Na8 Sc8 P16 H48 C16 O52","formula_reduced":"Na2Sc2P4H12C4O13","formula_anonymous":"A2B2C4D4E12F13","energy":-960.72758,"energy_per_atom":-6.491402567567567,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-925.00358,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.7598956,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.002000Z","spacegroup":86},{"id":"mp-1211431","created_at":"2022-09-04T14:47:03.655504Z","structure_string":"La4 Cu20 Sn4\n1.0\n5.092805 0.000000 0.000000\n0.000000 8.391655 0.000000\n0.000000 0.000000 10.681801\nLa Cu Sn\n4 20 4\ndirect\n0.250000 0.756816 0.061728 La\n0.750000 0.243184 0.938272 La\n0.750000 0.743184 0.561728 La\n0.250000 0.256816 0.438272 La\n0.250000 0.816100 0.745887 Cu\n0.750000 0.183900 0.254113 Cu\n0.750000 0.683900 0.245887 Cu\n0.250000 0.316100 0.754113 Cu\n0.498664 0.565469 0.812552 Cu\n0.501336 0.434531 0.187448 Cu\n0.501336 0.934531 0.312552 Cu\n0.998664 0.434531 0.187448 Cu\n0.498664 0.065469 0.687448 Cu\n0.001336 0.565469 0.812552 Cu\n0.001336 0.065469 0.687448 Cu\n0.998664 0.934531 0.312552 Cu\n0.250000 0.914304 0.516557 Cu\n0.750000 0.085696 0.483443 Cu\n0.750000 0.585696 0.016557 Cu\n0.250000 0.414304 0.983443 Cu\n0.250000 0.560047 0.606543 Cu\n0.750000 0.439953 0.393457 Cu\n0.750000 0.939953 0.106543 Cu\n0.250000 0.060047 0.893457 Cu\n0.250000 0.642140 0.361928 Sn\n0.750000 0.357860 0.638072 Sn\n0.750000 0.857860 0.861928 Sn\n0.250000 0.142140 0.138072 Sn\n","nsites":28,"nelements":3,"elements":["La","Cu","Sn"],"chemical_system":"Cu-La-Sn","density":8.371217686627316,"density_atomic":0.06133507209368478,"volume":456.5087974011357,"volume_molar":9.818429414742718,"formula_full":"La4 Cu20 Sn4","formula_reduced":"LaCu5Sn","formula_anonymous":"ABC5","energy":-124.97543942,"energy_per_atom":-4.463408550714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.97543942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001487,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.002000Z","spacegroup":62},{"id":"mp-631694","created_at":"2022-09-04T14:47:02.091227Z","structure_string":"In1 Co1 Si2\n1.0\n0.000000 3.166441 3.166441\n3.166441 0.000000 3.166441\n3.166441 3.166441 0.000000\nIn Co Si\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n","nsites":4,"nelements":3,"elements":["In","Co","Si"],"chemical_system":"Co-In-Si","density":6.012925152512156,"density_atomic":0.06299640912924707,"volume":63.4956826157086,"volume_molar":9.559498459102054,"formula_full":"In1 Co1 Si2","formula_reduced":"InCoSi2","formula_anonymous":"ABC2","energy":-18.32104105,"energy_per_atom":-4.5802602625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.46304105,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017027,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.004000Z","spacegroup":225},{"id":"mp-1026813","created_at":"2022-09-04T14:46:59.193148Z","structure_string":"Ba1 Ce1 Mg14\n1.0\n6.833691 -0.000000 0.000000\n-3.416846 5.918153 -0.000000\n0.000000 -0.000000 10.601660\nBa Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Ce\n0.171551 0.835775 0.125000 Mg\n0.183690 0.841844 0.625000 Mg\n0.664225 0.328449 0.125000 Mg\n0.658156 0.316310 0.625000 Mg\n0.664225 0.835775 0.125000 Mg\n0.658156 0.841844 0.625000 Mg\n0.342454 0.157546 0.365547 Mg\n0.342454 0.157546 0.884453 Mg\n0.342454 0.684908 0.365547 Mg\n0.342454 0.684908 0.884453 Mg\n0.815092 0.157546 0.365547 Mg\n0.815092 0.157546 0.884453 Mg\n0.833333 0.666667 0.374025 Mg\n0.833333 0.666667 0.875975 Mg\n","nsites":16,"nelements":3,"elements":["Ba","Ce","Mg"],"chemical_system":"Ba-Ce-Mg","density":2.392326443209055,"density_atomic":0.03731681629456736,"volume":428.76112135882573,"volume_molar":16.13787390773932,"formula_full":"Ba1 Ce1 Mg14","formula_reduced":"BaCeMg14","formula_anonymous":"ABC14","energy":-28.8625274,"energy_per_atom":-1.8039079625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.8625274,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.143382,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.005000Z","spacegroup":187},{"id":"mp-1219532","created_at":"2022-09-04T14:46:56.704042Z","structure_string":"Sr18 Ca3 Cr14 O56\n1.0\n-5.623778 -9.740668 -0.000000\n11.247555 0.000000 -0.000000\n0.000000 -6.493779 13.442659\nSr Ca Cr O\n18 3 14 56\ndirect\n0.973278 0.283812 0.314639 Sr\n0.995895 0.712083 0.314639 Sr\n0.401548 0.689466 0.314639 Sr\n0.398048 0.210007 0.814442 Sr\n0.997517 0.787510 0.814442 Sr\n0.975551 0.188041 0.814442 Sr\n0.755683 0.086386 0.599838 Sr\n0.730865 0.644479 0.599838 Sr\n0.313775 0.669297 0.599838 Sr\n0.311948 0.144969 0.107524 Sr\n0.725497 0.580528 0.107524 Sr\n0.747507 0.166979 0.107524 Sr\n0.196641 0.396976 0.994147 Sr\n0.206187 0.809211 0.994147 Sr\n0.608877 0.799666 0.994147 Sr\n0.617247 0.315546 0.495586 Sr\n0.202714 0.887167 0.495586 Sr\n0.188868 0.301700 0.495586 Sr\n0.866783 0.433392 0.699825 Ca\n0.467571 0.233785 0.298644 Ca\n0.471094 0.735547 0.793360 Ca\n0.377778 0.920759 0.196784 Cr\n0.346197 0.425438 0.196784 Cr\n0.882457 0.457018 0.196784 Cr\n0.881943 0.924124 0.698903 Cr\n0.343278 0.419155 0.698903 Cr\n0.376974 0.957819 0.698903 Cr\n0.599992 0.065441 0.893693 Cr\n0.571756 0.506315 0.893693 Cr\n0.040866 0.534551 0.893693 Cr\n0.049139 0.009823 0.394535 Cr\n0.566149 0.556326 0.394535 Cr\n0.595641 0.039315 0.394535 Cr\n0.006289 0.503144 0.490567 Cr\n0.001829 0.000915 0.997256 Cr\n0.270350 0.840191 0.320884 O\n0.248958 0.408766 0.320884 O\n0.838925 0.430158 0.320884 O\n0.842196 0.911194 0.823759 O\n0.245239 0.334045 0.823759 O\n0.265048 0.931003 0.823759 O\n0.092737 0.546369 0.360894 O\n0.084121 0.042060 0.873819 O\n0.706220 0.074160 0.955470 O\n0.412470 0.338310 0.955470 O\n0.970371 0.632060 0.955470 O\n0.971212 0.838004 0.457257 O\n0.409534 0.571531 0.457257 O\n0.704740 0.133209 0.457257 O\n0.738018 0.176833 0.776359 O\n0.662457 0.485623 0.776359 O\n0.046808 0.561185 0.776359 O\n0.087834 -0.000561 0.274282 O\n0.637323 0.637884 0.274282 O\n0.726279 0.088395 0.274282 O\n0.491648 0.881904 0.904561 O\n0.485695 0.603791 0.904561 O\n0.213535 0.609744 0.904561 O\n0.214700 0.104710 0.412563 O\n0.477447 0.372737 0.412563 O\n0.482727 0.109990 0.412563 O\n0.518494 0.884265 0.155965 O\n0.209806 0.325541 0.155965 O\n0.959770 0.634229 0.155965 O\n0.957024 0.822237 0.661072 O\n0.204141 0.381904 0.661072 O\n0.516691 0.134787 0.661072 O\n0.821414 0.483211 0.554540 O\n0.107258 0.624046 0.554540 O\n0.962249 0.338202 0.554540 O\n0.972066 0.127889 0.033858 O\n0.121964 0.994075 0.033858 O\n0.838252 0.844177 0.033858 O\n0.252200 0.868542 0.144126 O\n0.472216 0.603674 0.144126 O\n0.987332 0.383658 0.144126 O\n0.986602 0.101936 0.648933 O\n0.466400 0.364464 0.648933 O\n0.249131 0.884667 0.648933 O\n0.472496 0.103940 0.173368 O\n0.458076 0.354136 0.173368 O\n0.722692 0.368556 0.173368 O\n0.722885 0.854621 0.675703 O\n0.456033 0.601412 0.675703 O\n0.469675 0.868264 0.675703 O\n0.465296 0.107097 0.939458 O\n0.702343 0.595246 0.939458 O\n0.953445 0.358200 0.939458 O\n0.956295 0.096128 0.439161 O\n0.700672 0.604543 0.439161 O\n0.464710 0.860167 0.439161 O\n","nsites":91,"nelements":4,"elements":["Sr","Ca","Cr","O"],"chemical_system":"Ca-Cr-O-Sr","density":3.744776585523392,"density_atomic":0.06178874063844504,"volume":1472.760232037804,"volume_molar":9.746340025342766,"formula_full":"Sr18 Ca3 Cr14 O56","formula_reduced":"Sr18Ca3Cr14O56","formula_anonymous":"A3B14C18D56","energy":-689.7972473599999,"energy_per_atom":-7.58018953142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-623.33924736,"band_gap":0.3547000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000128,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.008000Z","spacegroup":146},{"id":"mp-29602","created_at":"2022-09-04T14:46:57.585875Z","structure_string":"K8 Zr4 Te12\n1.0\n14.365956 0.000000 0.000000\n0.000000 7.010395 0.000000\n0.000000 2.568798 8.954522\nK Zr Te\n8 4 12\ndirect\n0.963687 0.663271 0.655688 K\n0.463687 0.836729 0.344312 K\n0.036313 0.336729 0.344312 K\n0.536313 0.163271 0.655688 K\n0.862773 0.058010 0.898246 K\n0.362773 0.441990 0.101754 K\n0.137227 0.941990 0.101754 K\n0.637227 0.558010 0.898246 K\n0.749331 0.690761 0.292632 Zr\n0.249331 0.809239 0.707368 Zr\n0.250669 0.309239 0.707368 Zr\n0.750669 0.190761 0.292632 Zr\n0.915194 0.927205 0.273786 Te\n0.415194 0.572795 0.726214 Te\n0.084806 0.072795 0.726214 Te\n0.584806 0.427205 0.273786 Te\n0.812076 0.334782 0.534709 Te\n0.312076 0.165218 0.465291 Te\n0.187924 0.665218 0.465291 Te\n0.687924 0.834782 0.534709 Te\n0.849212 0.501057 0.078269 Te\n0.349212 0.998943 0.921731 Te\n0.150788 0.498943 0.921731 Te\n0.650788 0.001057 0.078269 Te\n","nsites":24,"nelements":3,"elements":["K","Zr","Te"],"chemical_system":"K-Te-Zr","density":4.067263071853834,"density_atomic":0.026612876160489036,"volume":901.8190989680304,"volume_molar":22.62867314184104,"formula_full":"K8 Zr4 Te12","formula_reduced":"K2ZrTe3","formula_anonymous":"AB2C3","energy":-110.22702243,"energy_per_atom":-4.59279260125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.16302243,"band_gap":0.3738999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0066134,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.012000Z","spacegroup":14},{"id":"mp-1191852","created_at":"2022-09-04T14:46:58.973621Z","structure_string":"Mg6 Ti1 H16\n1.0\n0.000000 4.744034 4.744034\n4.744034 0.000000 4.744034\n4.744034 4.744034 0.000000\nMg Ti H\n6 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.887134 0.887134 0.338599 H\n0.887134 0.338599 0.887134 H\n0.338599 0.887134 0.887134 H\n0.887134 0.887134 0.887134 H\n0.112866 0.112866 0.661401 H\n0.112866 0.661401 0.112866 H\n0.661401 0.112866 0.112866 H\n0.112866 0.112866 0.112866 H\n0.644139 0.644139 0.067583 H\n0.644139 0.067583 0.644139 H\n0.067583 0.644139 0.644139 H\n0.644139 0.644139 0.644139 H\n0.355861 0.355861 0.932417 H\n0.355861 0.932417 0.355861 H\n0.932417 0.355861 0.355861 H\n0.355861 0.355861 0.355861 H\n","nsites":23,"nelements":3,"elements":["Mg","Ti","H"],"chemical_system":"H-Mg-Ti","density":1.6316648874302495,"density_atomic":0.10770961204395595,"volume":213.5371167302485,"volume_molar":5.591089454061337,"formula_full":"Mg6 Ti1 H16","formula_reduced":"Mg6TiH16","formula_anonymous":"AB6C16","energy":-76.15582437,"energy_per_atom":-3.3111227986956524,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.29182437,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9106113,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.014000Z","spacegroup":225}]}