{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10244","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10242","results":[{"id":"mp-1223804","created_at":"2022-09-04T14:41:46.300322Z","structure_string":"K4 Co2 H8 I8 O28\n1.0\n-4.146571 4.054620 -5.575343\n-8.344378 -8.102168 0.052471\n-4.206059 4.056508 5.630951\nK Co H I O\n4 2 8 8 28\ndirect\n0.326798 0.672547 0.326880 K\n0.827197 0.172798 0.827366 K\n0.065405 0.934500 0.065478 K\n0.565444 0.434496 0.565440 K\n0.538691 0.959879 0.539393 Co\n0.041466 0.459809 0.037270 Co\n0.614691 0.761001 0.711209 H\n0.113935 0.261173 0.210194 H\n0.787466 0.837130 0.690664 H\n0.286598 0.337954 0.190868 H\n0.871982 0.662448 0.964064 H\n0.369578 0.162538 0.463160 H\n0.884380 0.582805 0.791728 H\n0.383811 0.083439 0.290556 H\n0.063485 0.425489 0.592541 I\n0.564443 0.925609 0.092037 I\n0.339058 0.171482 0.810453 I\n0.838159 0.672070 0.310387 I\n0.613868 0.425459 0.056965 I\n0.112915 0.926292 0.556452 I\n0.795479 0.164722 0.352671 I\n0.296070 0.665323 0.852155 I\n0.911896 0.590051 0.910203 O\n0.409078 0.090000 0.409670 O\n0.666735 0.833565 0.667158 O\n0.166053 0.333762 0.166386 O\n0.073932 0.832170 0.384486 O\n0.573376 0.332130 0.884458 O\n0.323518 0.771097 0.012387 O\n0.823030 0.270752 0.512623 O\n0.235961 0.526846 0.597502 O\n0.736370 0.027312 0.096686 O\n0.652732 0.583662 0.292848 O\n0.153588 0.083164 0.792610 O\n0.885460 0.526953 0.603248 O\n0.385919 0.026845 0.102566 O\n0.831675 0.755535 0.114189 O\n0.331579 0.255736 0.615122 O\n0.048794 0.368705 0.807267 O\n0.552047 0.869749 0.306842 O\n0.510240 0.071228 0.752548 O\n0.007835 0.570888 0.253541 O\n0.992624 0.856714 0.725500 O\n0.491137 0.356914 0.225283 O\n0.510187 0.641270 0.776204 O\n0.009659 0.141363 0.276342 O\n0.821581 0.365935 0.106744 O\n0.321792 0.868057 0.605677 O\n0.775378 0.035842 0.491196 O\n0.275087 0.536609 0.990961 O\n","nsites":50,"nelements":5,"elements":["K","Co","H","I","O"],"chemical_system":"Co-H-I-K-O","density":3.821927863699417,"density_atomic":0.0659284813963776,"volume":758.3975687137126,"volume_molar":9.1343538216715,"formula_full":"K4 Co2 H8 I8 O28","formula_reduced":"K2CoH4(I2O7)2","formula_anonymous":"AB2C4D4E14","energy":-256.98645255,"energy_per_atom":-5.139729051000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-234.47445255,"band_gap":2.5604000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.01e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.329000Z","spacegroup":5},{"id":"mp-1228532","created_at":"2022-09-04T14:41:33.681402Z","structure_string":"Ba10 Ce8 Y2 O30\n1.0\n3.147903 4.433179 -3.178369\n9.536204 4.424266 9.283428\n6.319547 -8.854289 -0.069588\nBa Ce Y O\n10 8 2 30\ndirect\n0.154151 0.552764 0.356009 Ba\n0.754656 0.750133 0.751018 Ba\n0.352372 0.955131 0.153578 Ba\n0.952166 0.151890 0.550595 Ba\n0.552661 0.352409 0.952858 Ba\n0.247628 0.244869 0.246422 Ba\n0.845344 0.449867 0.648982 Ba\n0.445849 0.647236 0.043991 Ba\n0.047339 0.847591 0.447142 Ba\n0.647834 0.048110 0.849405 Ba\n0.398647 0.302031 0.599696 Ce\n0.998115 0.500612 0.998361 Ce\n0.601885 0.699388 0.401639 Ce\n0.201353 0.897969 0.800304 Ce\n0.700985 0.398325 0.299815 Ce\n0.899015 0.801675 0.100185 Ce\n0.498281 0.000581 0.498300 Ce\n0.101719 0.199419 0.901700 Ce\n0.800000 0.100000 0.200000 Y\n0.300000 0.600000 0.700000 Y\n0.369534 0.457054 0.129663 O\n0.965729 0.656489 0.529314 O\n0.570014 0.856370 0.930340 O\n0.172138 0.056052 0.332628 O\n0.769886 0.256075 0.730959 O\n0.029986 0.343630 0.469660 O\n0.634271 0.543511 0.870686 O\n0.230466 0.742946 0.270337 O\n0.830114 0.943925 0.669041 O\n0.427862 0.143948 0.067372 O\n0.018516 0.339947 0.981099 O\n0.619933 0.538357 0.380745 O\n0.218240 0.742378 0.779988 O\n0.821024 0.937841 0.179477 O\n0.418865 0.140865 0.581007 O\n0.778976 0.262159 0.220523 O\n0.381760 0.457622 0.620012 O\n0.980067 0.661643 0.019255 O\n0.581484 0.860053 0.418901 O\n0.181135 0.059135 0.818993 O\n0.521623 0.325754 0.423320 O\n0.119976 0.527530 0.827351 O\n0.722280 0.725601 0.224565 O\n0.321596 0.927339 0.623472 O\n0.923381 0.128542 0.023231 O\n0.877720 0.474399 0.175435 O\n0.480024 0.672470 0.572649 O\n0.078377 0.874246 0.976680 O\n0.676619 0.071458 0.376769 O\n0.278404 0.272661 0.776528 O\n","nsites":50,"nelements":4,"elements":["Ba","Ce","Y","O"],"chemical_system":"Ba-Ce-O-Y","density":5.961003345421917,"density_atomic":0.05694494885466745,"volume":878.0410028571267,"volume_molar":10.575373024514358,"formula_full":"Ba10 Ce8 Y2 O30","formula_reduced":"Ba5Ce4YO15","formula_anonymous":"AB4C5D15","energy":-402.8711772200001,"energy_per_atom":-8.057423544400002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-382.26117722,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0026843,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.096000Z","spacegroup":2},{"id":"mp-1183012","created_at":"2022-09-04T14:41:48.164365Z","structure_string":"Al4 Si6 H16 N4 O20\n1.0\n0.000000 9.091697 9.104673\n3.340038 0.000000 9.104673\n3.340038 9.091697 0.000000\nAl Si H N O\n4 6 16 4 20\ndirect\n0.748350 0.448141 0.316534 Al\n0.486974 0.316534 0.448141 Al\n0.933466 0.763026 0.501650 Al\n0.801859 0.501650 0.763026 Al\n0.230942 0.769058 0.769058 Si\n0.480942 0.019058 0.019058 Si\n0.973319 0.457795 0.326676 Si\n0.242210 0.326676 0.457795 Si\n0.923324 0.007790 0.276681 Si\n0.792205 0.276681 0.007790 Si\n0.306232 0.100212 0.861914 H\n0.731642 0.861914 0.100212 H\n0.421249 0.896098 0.668555 H\n0.014097 0.668555 0.896098 H\n0.377494 0.102318 0.637222 H\n0.882967 0.637222 0.102318 H\n0.577563 0.903201 0.600357 H\n0.918878 0.600357 0.903201 H\n0.346799 0.672437 0.331122 H\n0.649643 0.331122 0.672437 H\n0.353902 0.828751 0.235903 H\n0.581445 0.235903 0.828751 H\n0.147682 0.872506 0.367033 H\n0.612778 0.367033 0.872506 H\n0.149788 0.943768 0.518358 H\n0.388086 0.518358 0.943768 H\n0.418344 0.001157 0.693826 N\n0.886673 0.693826 0.001157 N\n0.248843 0.831656 0.363327 N\n0.556174 0.363327 0.831656 N\n0.268642 0.587407 0.686436 O\n0.457516 0.686436 0.587407 O\n0.662593 0.981358 0.792484 O\n0.563564 0.792484 0.981358 O\n0.879063 0.501607 0.247884 O\n0.371447 0.247884 0.501607 O\n0.002116 0.878553 0.370937 O\n0.748393 0.370937 0.878553 O\n0.871621 0.211869 0.325143 O\n0.591367 0.325143 0.211869 O\n0.038131 0.378379 0.658633 O\n0.924857 0.658633 0.378379 O\n0.847987 0.458580 0.549393 O\n0.144041 0.549393 0.458580 O\n0.700607 0.105959 0.402013 O\n0.791420 0.402013 0.105959 O\n0.248036 0.208379 0.109300 O\n0.434286 0.109300 0.208379 O\n0.041621 0.001964 0.815714 O\n0.140700 0.815714 0.001964 O\n","nsites":50,"nelements":5,"elements":["Al","Si","H","N","O"],"chemical_system":"Al-H-N-O-Si","density":2.0077628531213603,"density_atomic":0.09042307977379173,"volume":552.9561714230842,"volume_molar":6.659959796841006,"formula_full":"Al4 Si6 H16 N4 O20","formula_reduced":"Al2Si3H8(NO5)2","formula_anonymous":"A2B2C3D8E10","energy":-343.82646209,"energy_per_atom":-6.8765292418,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-328.64246209,"band_gap":4.5025,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0065275,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.704000Z","spacegroup":43},{"id":"mp-1203101","created_at":"2022-09-04T14:41:48.255120Z","structure_string":"Na2 B12 H16 S6 O14\n1.0\n8.651936 0.000000 0.000000\n-0.689116 9.013829 0.000000\n-2.349689 -0.988529 8.741829\nNa B H S O\n2 12 16 6 14\ndirect\n0.116452 0.053656 0.362084 Na\n0.883548 0.946344 0.637916 Na\n0.433606 0.496111 0.159058 B\n0.566394 0.503889 0.840942 B\n0.538364 0.659933 0.122059 B\n0.461636 0.340067 0.877941 B\n0.341453 0.595604 0.005550 B\n0.658547 0.404396 0.994450 B\n0.322232 0.396448 0.980701 B\n0.677768 0.603552 0.019299 B\n0.508432 0.338551 0.080520 B\n0.491568 0.661449 0.919480 B\n0.642061 0.500535 0.167875 B\n0.357939 0.499465 0.832125 B\n0.018601 0.243600 0.593141 H\n0.981399 0.756400 0.406859 H\n0.166368 0.172655 0.683010 H\n0.833632 0.827345 0.316990 H\n0.387721 0.492585 0.273594 H\n0.612279 0.507415 0.726406 H\n0.564777 0.772765 0.209451 H\n0.435223 0.227235 0.790549 H\n0.227296 0.663629 0.009482 H\n0.772704 0.336371 0.990518 H\n0.196650 0.322872 0.967693 H\n0.803350 0.677128 0.032307 H\n0.516216 0.222870 0.138329 H\n0.483784 0.777130 0.861671 H\n0.742064 0.501493 0.286906 H\n0.257936 0.498507 0.713094 H\n0.063979 0.444773 0.236464 S\n0.936021 0.555227 0.763536 S\n0.277397 0.962430 0.016179 S\n0.722603 0.037570 0.983821 S\n0.562711 0.247212 0.464652 S\n0.437289 0.752788 0.535348 S\n0.065282 0.295125 0.282945 O\n0.934718 0.704875 0.717055 O\n0.082282 0.566088 0.356977 O\n0.917718 0.433912 0.643023 O\n0.177991 0.971847 0.863261 O\n0.822009 0.028153 0.136739 O\n0.201944 0.984309 0.140589 O\n0.798056 0.015691 0.859411 O\n0.395770 0.189577 0.438934 O\n0.604230 0.810423 0.561066 O\n0.682460 0.142475 0.501133 O\n0.317540 0.857525 0.498867 O\n0.067942 0.149635 0.599769 O\n0.932058 0.850365 0.400231 O\n","nsites":50,"nelements":5,"elements":["Na","B","H","S","O"],"chemical_system":"B-H-Na-O-S","density":1.481443189564462,"density_atomic":0.07334070566111225,"volume":681.7496443385287,"volume_molar":8.211184642573114,"formula_full":"Na2 B12 H16 S6 O14","formula_reduced":"NaB6H8S3O7","formula_anonymous":"AB3C6D7E8","energy":-277.94042897,"energy_per_atom":-5.558808579400001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-265.45842897,"band_gap":2.1389,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.66e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.509000Z","spacegroup":2},{"id":"mp-1195470","created_at":"2022-09-04T14:41:35.187253Z","structure_string":"Rb8 U6 As4 O32\n1.0\n17.651699 0.000000 0.000000\n0.000000 7.167575 0.000000\n0.000000 0.115796 7.220689\nRb U As O\n8 6 4 32\ndirect\n0.884647 0.536530 0.105628 Rb\n0.384647 0.463470 0.894371 Rb\n0.115353 0.463470 0.894371 Rb\n0.615353 0.536530 0.105628 Rb\n0.250000 0.957648 0.947483 Rb\n0.750000 0.042352 0.052517 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.250000 0.282472 0.421236 U\n0.750000 0.717528 0.578764 U\n0.144429 0.780896 0.422814 U\n0.644429 0.219104 0.577186 U\n0.855571 0.219104 0.577186 U\n0.355571 0.780896 0.422814 U\n0.054047 0.284073 0.399732 As\n0.554047 0.715927 0.600268 As\n0.945953 0.715927 0.600268 As\n0.445953 0.284073 0.399732 As\n0.016598 0.333459 0.190398 O\n0.516598 0.666541 0.809602 O\n0.983402 0.666541 0.809602 O\n0.483402 0.333459 0.190398 O\n0.990150 0.240920 0.575824 O\n0.490150 0.759080 0.424176 O\n0.009850 0.759080 0.424176 O\n0.509850 0.240920 0.575824 O\n0.118401 0.101513 0.380284 O\n0.618401 0.898487 0.619716 O\n0.881599 0.898487 0.619716 O\n0.381599 0.101513 0.380284 O\n0.121444 0.446157 0.471158 O\n0.621444 0.553843 0.528842 O\n0.878556 0.553843 0.528842 O\n0.378556 0.446157 0.471158 O\n0.250000 0.260091 0.676853 O\n0.750000 0.739909 0.323147 O\n0.250000 0.305775 0.165868 O\n0.750000 0.694225 0.834132 O\n0.250000 0.598710 0.430943 O\n0.750000 0.401290 0.569057 O\n0.250000 0.963210 0.398931 O\n0.750000 0.036790 0.601069 O\n0.145331 0.805433 0.677976 O\n0.645331 0.194567 0.322024 O\n0.854669 0.194567 0.322024 O\n0.354669 0.805433 0.677976 O\n0.137470 0.759954 0.166865 O\n0.637470 0.240046 0.833135 O\n0.862530 0.240046 0.833135 O\n0.362530 0.759954 0.166865 O\n","nsites":50,"nelements":4,"elements":["Rb","U","As","O"],"chemical_system":"As-O-Rb-U","density":5.314068337888949,"density_atomic":0.05473090193320132,"volume":913.5606802355395,"volume_molar":11.003182018359539,"formula_full":"Rb8 U6 As4 O32","formula_reduced":"Rb4U3(AsO8)2","formula_anonymous":"A2B3C4D16","energy":-394.43730955,"energy_per_atom":-7.888746191,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-372.45330955,"band_gap":1.9192,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031155,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.959000Z","spacegroup":11},{"id":"mp-698212","created_at":"2022-09-04T14:41:59.508889Z","structure_string":"Ce6 Zn44\n1.0\n-4.447815 4.447815 10.606117\n4.447815 -4.447815 10.606117\n4.447815 4.447815 -10.606117\nCe Zn\n6 44\ndirect\n0.621142 0.621142 0.000000 Ce\n0.371142 0.871142 0.500000 Ce\n0.128858 0.628858 0.500000 Ce\n0.378858 0.378858 0.000000 Ce\n0.750000 0.250000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.917524 0.444022 0.989340 Zn\n0.454682 0.444022 0.526498 Zn\n0.194022 0.167524 0.489340 Zn\n0.678184 0.167524 0.973502 Zn\n0.917524 0.928184 0.473502 Zn\n0.454682 0.928184 0.010660 Zn\n0.194022 0.704682 0.026498 Zn\n0.678184 0.704682 0.510660 Zn\n0.832476 0.805978 0.510660 Zn\n0.295318 0.805978 0.973502 Zn\n0.555978 0.082476 0.010660 Zn\n0.071816 0.082476 0.526498 Zn\n0.832476 0.321816 0.026498 Zn\n0.295318 0.321816 0.489340 Zn\n0.555978 0.545318 0.473502 Zn\n0.071816 0.545318 0.989340 Zn\n0.498239 0.275695 0.777456 Zn\n0.025695 0.748239 0.277456 Zn\n0.470783 0.748239 0.722544 Zn\n0.498239 0.720783 0.222544 Zn\n0.251761 0.974305 0.722544 Zn\n0.724305 0.501761 0.222544 Zn\n0.279217 0.501761 0.777456 Zn\n0.251761 0.529217 0.277456 Zn\n0.757860 0.610273 0.852413 Zn\n0.360273 0.007860 0.352413 Zn\n0.655447 0.007860 0.647587 Zn\n0.757860 0.905447 0.147587 Zn\n0.992140 0.639727 0.647587 Zn\n0.389727 0.242140 0.147587 Zn\n0.094553 0.242140 0.852413 Zn\n0.992140 0.344553 0.352413 Zn\n0.612259 0.960435 0.348176 Zn\n0.710435 0.862259 0.848176 Zn\n0.014083 0.862259 0.151824 Zn\n0.612259 0.264083 0.651824 Zn\n0.137741 0.289565 0.151824 Zn\n0.039565 0.387741 0.651824 Zn\n0.735917 0.387741 0.348176 Zn\n0.137741 0.985917 0.848176 Zn\n0.875000 0.625000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.875000 0.125000 0.750000 Zn\n0.875000 0.125000 0.250000 Zn\n","nsites":50,"nelements":2,"elements":["Ce","Zn"],"chemical_system":"Ce-Zn","density":7.357486462190482,"density_atomic":0.05957446748805404,"volume":839.2857226969938,"volume_molar":10.108593519879248,"formula_full":"Ce6 Zn44","formula_reduced":"Ce3Zn22","formula_anonymous":"A3B22","energy":-103.57128824,"energy_per_atom":-2.0714257648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.57128824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2455631,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.525000Z","spacegroup":141},{"id":"mp-1210571","created_at":"2022-09-04T14:41:59.406091Z","structure_string":"Na4 Cd6 P8 N2 Cl2 O28\n1.0\n2.709711 10.947878 0.000000\n-2.709711 10.947878 0.000000\n0.000000 7.358400 12.357286\nNa Cd P N Cl O\n4 6 8 2 2 28\ndirect\n0.758546 0.809007 0.651992 Na\n0.241454 0.190993 0.348008 Na\n0.190993 0.241454 0.848008 Na\n0.809007 0.758546 0.151992 Na\n0.160531 0.142354 0.657941 Cd\n0.839469 0.857646 0.342060 Cd\n0.857646 0.839469 0.842060 Cd\n0.142354 0.160531 0.157941 Cd\n0.456347 0.543653 0.750000 Cd\n0.543653 0.456347 0.250000 Cd\n0.643057 0.674633 0.003262 P\n0.356943 0.325367 0.996738 P\n0.325367 0.356943 0.496738 P\n0.674633 0.643057 0.503262 P\n0.614729 0.623006 0.834769 P\n0.385271 0.376994 0.165231 P\n0.376994 0.385271 0.665231 P\n0.623006 0.614729 0.334769 P\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.962555 0.037445 0.750000 Cl\n0.037445 0.962555 0.250000 Cl\n0.463881 0.449577 0.643967 O\n0.536119 0.550423 0.356033 O\n0.550423 0.536119 0.856033 O\n0.449577 0.463881 0.143967 O\n0.429268 0.355053 0.546288 O\n0.570732 0.644947 0.453712 O\n0.644947 0.570732 0.953712 O\n0.355053 0.429268 0.046288 O\n0.632729 0.040953 0.985809 O\n0.367271 0.959047 0.014191 O\n0.959047 0.367271 0.514191 O\n0.040953 0.632729 0.485809 O\n0.504222 0.735122 0.613902 O\n0.495778 0.264878 0.386098 O\n0.264878 0.495778 0.886098 O\n0.735122 0.504222 0.113902 O\n0.375546 0.164920 0.575632 O\n0.624454 0.835080 0.424368 O\n0.835080 0.624454 0.924368 O\n0.164920 0.375546 0.075632 O\n0.535925 0.127960 0.739052 O\n0.464075 0.872040 0.260948 O\n0.872040 0.464075 0.760948 O\n0.127960 0.535925 0.239052 O\n0.403367 0.909861 0.791039 O\n0.596633 0.090139 0.208961 O\n0.090139 0.596633 0.708961 O\n0.909861 0.403367 0.291039 O\n","nsites":50,"nelements":6,"elements":["Na","Cd","P","N","Cl","O"],"chemical_system":"Cd-Cl-N-Na-O-P","density":3.5357271898455784,"density_atomic":0.06819679847412408,"volume":733.1722473595518,"volume_molar":8.830532949849518,"formula_full":"Na4 Cd6 P8 N2 Cl2 O28","formula_reduced":"Na2Cd3P4NClO14","formula_anonymous":"ABC2D3E4F14","energy":-314.02993568,"energy_per_atom":-6.2805987136,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.56593568,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.546000Z","spacegroup":15},{"id":"mp-1221445","created_at":"2022-09-04T14:41:54.180909Z","structure_string":"Na6 Al6 Ge6 O32\n1.0\n6.487774 -6.551647 0.000000\n6.487774 6.551647 0.000000\n-0.128374 0.000000 9.219480\nNa Al Ge O\n6 6 6 32\ndirect\n0.314153 0.685328 0.313295 Na\n0.685328 0.313295 0.314153 Na\n0.313295 0.314153 0.685328 Na\n0.185328 0.814153 0.813295 Na\n0.813295 0.185328 0.814153 Na\n0.814153 0.813295 0.185328 Na\n0.503243 0.752384 0.997381 Al\n0.997381 0.503243 0.752384 Al\n0.752384 0.997381 0.503243 Al\n0.003243 0.497381 0.252384 Al\n0.252384 0.003243 0.497381 Al\n0.497381 0.252384 0.003243 Al\n0.998928 0.751435 0.503232 Ge\n0.503232 0.998928 0.751435 Ge\n0.751435 0.503232 0.998928 Ge\n0.498928 0.003232 0.251435 Ge\n0.251435 0.498928 0.003232 Ge\n0.003232 0.251435 0.498928 Ge\n0.651923 0.651317 0.939019 O\n0.939019 0.651923 0.651317 O\n0.651317 0.939019 0.651923 O\n0.361238 0.644812 0.068790 O\n0.070224 0.643535 0.361545 O\n0.358140 0.928074 0.356482 O\n0.643535 0.361545 0.070224 O\n0.928074 0.356482 0.358140 O\n0.644812 0.068790 0.361238 O\n0.356482 0.358140 0.928074 O\n0.068790 0.361238 0.644812 O\n0.361545 0.070224 0.643535 O\n0.143535 0.570224 0.861545 O\n0.428074 0.858140 0.856482 O\n0.144812 0.861238 0.568790 O\n0.856482 0.428074 0.858140 O\n0.568790 0.144812 0.861238 O\n0.861545 0.143535 0.570224 O\n0.151923 0.439019 0.151317 O\n0.439019 0.151317 0.151923 O\n0.151317 0.151923 0.439019 O\n0.861238 0.568790 0.144812 O\n0.570224 0.861545 0.143535 O\n0.858140 0.856482 0.428074 O\n0.942153 0.942153 0.942153 O\n0.071550 0.914188 0.071631 O\n0.914188 0.071631 0.071550 O\n0.071631 0.071550 0.914188 O\n0.414188 0.571550 0.571631 O\n0.571631 0.414188 0.571550 O\n0.442153 0.442153 0.442153 O\n0.571550 0.571631 0.414188 O\n","nsites":50,"nelements":4,"elements":["Na","Al","Ge","O"],"chemical_system":"Al-Ge-Na-O","density":2.643374965523926,"density_atomic":0.06379510835863508,"volume":783.7591515468,"volume_molar":9.439815865106004,"formula_full":"Na6 Al6 Ge6 O32","formula_reduced":"Na3Al3Ge3O16","formula_anonymous":"A3B3C3D16","energy":-316.67879514,"energy_per_atom":-6.3335759028,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.69479514,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9951057,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.354000Z","spacegroup":161},{"id":"mp-1223701","created_at":"2022-09-04T14:41:51.457790Z","structure_string":"K1 Rb1 Mn2 Ga4 P6 H8 O28\n1.0\n6.530511 5.177933 -2.167640\n6.530511 -5.177933 -2.167640\n-0.004582 0.000000 -8.980993\nK Rb Mn Ga P H O\n1 1 2 4 6 8 28\ndirect\n0.360376 0.639624 0.250000 K\n0.639363 0.360637 0.750000 Rb\n0.717448 0.282552 0.250000 Mn\n0.282451 0.717549 0.750000 Mn\n0.754911 0.904034 0.071531 Ga\n0.095966 0.245089 0.428469 Ga\n0.245181 0.095799 0.928705 Ga\n0.904201 0.754819 0.571295 Ga\n0.000400 0.999600 0.750000 P\n0.000556 0.999444 0.250000 P\n0.836493 0.583249 0.324588 P\n0.416751 0.163507 0.175412 P\n0.162588 0.417045 0.675194 P\n0.582955 0.837412 0.824806 P\n0.466535 0.219535 0.503549 H\n0.780465 0.533465 0.996451 H\n0.533205 0.780155 0.495894 H\n0.219845 0.466795 0.004106 H\n0.620589 0.077979 0.548575 H\n0.922021 0.379411 0.951425 H\n0.379224 0.921557 0.451108 H\n0.078443 0.620776 0.048892 H\n0.774269 0.680206 0.460961 O\n0.319794 0.225731 0.039039 O\n0.225444 0.320385 0.538609 O\n0.679615 0.774556 0.961391 O\n0.700035 0.502139 0.323150 O\n0.497861 0.299965 0.176850 O\n0.298062 0.499376 0.676273 O\n0.500624 0.701938 0.823727 O\n0.587447 0.192667 0.492014 O\n0.807333 0.412553 0.007986 O\n0.412387 0.806364 0.506549 O\n0.193636 0.587613 0.993451 O\n0.005486 0.461591 0.338860 O\n0.538409 0.994514 0.161140 O\n0.993164 0.538001 0.661361 O\n0.461999 0.006836 0.838639 O\n0.849778 0.031504 0.884069 O\n0.968496 0.150222 0.615931 O\n0.151643 0.967026 0.116230 O\n0.032974 0.848357 0.383770 O\n0.881076 0.702880 0.163982 O\n0.297120 0.118924 0.336018 O\n0.118962 0.296970 0.835809 O\n0.703030 0.881038 0.664191 O\n0.024801 0.834173 0.696847 O\n0.165827 0.975199 0.803153 O\n0.975737 0.164978 0.303191 O\n0.835022 0.024263 0.196809 O\n","nsites":50,"nelements":7,"elements":["K","Rb","Mn","Ga","P","H","O"],"chemical_system":"Ga-H-K-Mn-O-P-Rb","density":3.157792733735995,"density_atomic":0.08230733116293733,"volume":607.4793009752551,"volume_molar":7.316651718518784,"formula_full":"K1 Rb1 Mn2 Ga4 P6 H8 O28","formula_reduced":"KRbMn2Ga4P6(H2O7)4","formula_anonymous":"ABC2D4E6F8G28","energy":-344.95148328,"energy_per_atom":-6.8990296656,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.37948328,"band_gap":3.3545,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0014863,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.145000Z","spacegroup":5},{"id":"mp-759323","created_at":"2022-09-04T14:42:01.456735Z","structure_string":"Na10 Fe4 P4 C4 O28\n1.0\n6.644183 0.000000 0.000000\n0.000000 10.390821 0.000000\n0.000000 5.149031 9.104637\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.258424 0.093261 0.819047 Na\n0.249627 0.589911 0.334935 Na\n0.000304 0.751692 0.987982 Na\n0.497227 0.754030 0.985725 Na\n0.018837 0.235003 0.497058 Na\n0.997227 0.245970 0.014275 Na\n0.500304 0.248308 0.012018 Na\n0.518837 0.764997 0.502942 Na\n0.758424 0.906739 0.180953 Na\n0.749627 0.410089 0.665065 Na\n0.744666 0.461310 0.186487 Fe\n0.742043 0.972357 0.676206 Fe\n0.244666 0.538690 0.813513 Fe\n0.242043 0.027643 0.323794 Fe\n0.247591 0.397694 0.182559 P\n0.250123 0.890823 0.689847 P\n0.747591 0.602306 0.817441 P\n0.750123 0.109177 0.310153 P\n0.756290 0.083966 0.860240 C\n0.745878 0.581681 0.346603 C\n0.256290 0.916034 0.139760 C\n0.245878 0.418319 0.653397 C\n0.248318 0.851761 0.060422 O\n0.229914 0.362858 0.570020 O\n0.744892 0.663701 0.202591 O\n0.766622 0.162059 0.718067 O\n0.752510 0.940613 0.921541 O\n0.762421 0.438794 0.397121 O\n0.435475 0.484473 0.190771 O\n0.059930 0.485148 0.190434 O\n0.434630 0.958806 0.725135 O\n0.063942 0.971721 0.705258 O\n0.748869 0.602094 0.967500 O\n0.763257 0.111276 0.454587 O\n0.240105 0.722437 0.819894 O\n0.240567 0.237841 0.306655 O\n0.740105 0.277563 0.180106 O\n0.740567 0.762159 0.693345 O\n0.248869 0.397906 0.032500 O\n0.263257 0.888724 0.545413 O\n0.935475 0.515527 0.809229 O\n0.559930 0.514852 0.809566 O\n0.563942 0.028279 0.294742 O\n0.934630 0.041194 0.274865 O\n0.252510 0.059387 0.078459 O\n0.262421 0.561206 0.602879 O\n0.244892 0.336299 0.797409 O\n0.266622 0.837941 0.281933 O\n0.748318 0.148239 0.939578 O\n0.729914 0.637142 0.429980 O\n","nsites":50,"nelements":5,"elements":["Na","Fe","P","C","O"],"chemical_system":"C-Fe-Na-O-P","density":2.835144297088467,"density_atomic":0.07954555567755792,"volume":628.5706294224359,"volume_molar":7.570681615967413,"formula_full":"Na10 Fe4 P4 C4 O28","formula_reduced":"Na5Fe2P2(CO7)2","formula_anonymous":"A2B2C2D5E14","energy":-357.014398,"energy_per_atom":-7.14028796,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-328.754398,"band_gap":1.2073999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9999243,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.824000Z","spacegroup":4},{"id":"mp-760061","created_at":"2022-09-04T14:41:49.798419Z","structure_string":"Na2 Mn16 O32\n1.0\n5.924289 0.000000 0.000000\n0.000000 8.379962 0.000000\n0.000000 0.000000 11.858287\nNa Mn O\n2 16 32\ndirect\n0.500000 0.374255 0.000000 Na\n0.000000 0.625745 0.500000 Na\n0.247291 0.995087 0.000000 Mn\n0.252709 0.004913 0.500000 Mn\n0.752709 0.995087 0.000000 Mn\n0.747291 0.004913 0.500000 Mn\n0.000000 0.245174 0.373788 Mn\n0.000000 0.245293 0.872617 Mn\n0.000000 0.245293 0.127383 Mn\n0.000000 0.245174 0.626212 Mn\n0.750000 0.500000 0.750000 Mn\n0.250000 0.500000 0.250000 Mn\n0.750000 0.500000 0.250000 Mn\n0.250000 0.500000 0.750000 Mn\n0.500000 0.754826 0.873788 Mn\n0.500000 0.754826 0.126212 Mn\n0.500000 0.754707 0.627383 Mn\n0.500000 0.754707 0.372617 Mn\n0.000000 0.015344 0.392116 O\n0.000000 0.010672 0.891042 O\n0.000000 0.010672 0.108958 O\n0.000000 0.015344 0.607884 O\n0.784328 0.235101 0.500000 O\n0.788488 0.226125 0.000000 O\n0.215672 0.235101 0.500000 O\n0.211512 0.226125 0.000000 O\n0.781443 0.263989 0.248703 O\n0.218557 0.263989 0.751297 O\n0.781443 0.263989 0.751297 O\n0.218557 0.263989 0.248703 O\n0.000000 0.478087 0.644299 O\n0.000000 0.478087 0.355701 O\n0.000000 0.480076 0.140298 O\n0.000000 0.480076 0.859702 O\n0.500000 0.521913 0.855701 O\n0.500000 0.519924 0.359702 O\n0.500000 0.521913 0.144299 O\n0.500000 0.519924 0.640298 O\n0.281443 0.736011 0.251297 O\n0.718557 0.736011 0.748703 O\n0.281443 0.736011 0.748703 O\n0.718557 0.736011 0.251297 O\n0.288488 0.773875 0.500000 O\n0.284328 0.764899 0.000000 O\n0.715672 0.764899 0.000000 O\n0.711512 0.773875 0.500000 O\n0.500000 0.984656 0.892116 O\n0.500000 0.984656 0.107884 O\n0.500000 0.989328 0.608958 O\n0.500000 0.989328 0.391042 O\n","nsites":50,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":4.053183552527069,"density_atomic":0.08493168917753303,"volume":588.7084135991315,"volume_molar":7.090569866580537,"formula_full":"Na2 Mn16 O32","formula_reduced":"NaMn8O16","formula_anonymous":"AB8C16","energy":-397.64811251,"energy_per_atom":-7.9529622502,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.97611251,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":49.9997494,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.359000Z","spacegroup":59},{"id":"mp-696130","created_at":"2022-09-04T14:42:00.124616Z","structure_string":"Li20 Ge2 P4 O24\n1.0\n7.069309 0.000000 0.000000\n0.000000 7.069309 0.000000\n0.000000 0.000000 10.524366\nLi Ge P O\n20 2 4 24\ndirect\n0.219327 0.264680 0.297921 Li\n0.780673 0.735320 0.297921 Li\n0.264680 0.780673 0.797921 Li\n0.735320 0.219327 0.797921 Li\n0.219327 0.735320 0.297921 Li\n0.780673 0.264680 0.297921 Li\n0.264680 0.219327 0.797921 Li\n0.735320 0.780673 0.797921 Li\n0.000000 0.000000 0.929085 Li\n0.000000 0.000000 0.429085 Li\n0.500000 0.500000 0.562557 Li\n0.500000 0.500000 0.062557 Li\n0.237985 0.695031 0.047914 Li\n0.762015 0.304969 0.047914 Li\n0.304969 0.237985 0.547914 Li\n0.695031 0.762015 0.547914 Li\n0.304969 0.762015 0.547914 Li\n0.695031 0.237985 0.547914 Li\n0.237985 0.304969 0.047914 Li\n0.762015 0.695031 0.047914 Li\n0.500000 0.500000 0.809574 Ge\n0.500000 0.500000 0.309574 Ge\n0.000000 0.000000 0.678641 P\n0.000000 0.000000 0.178641 P\n0.000000 0.500000 0.492875 P\n0.500000 0.000000 0.992875 P\n0.000000 0.685343 0.409614 O\n0.000000 0.314657 0.409614 O\n0.314657 0.000000 0.909614 O\n0.685343 0.000000 0.909614 O\n0.500000 0.187182 0.070255 O\n0.500000 0.812818 0.070255 O\n0.187182 0.500000 0.570255 O\n0.812818 0.500000 0.570255 O\n0.000000 0.820371 0.091432 O\n0.000000 0.179629 0.091432 O\n0.179629 0.000000 0.591432 O\n0.820371 0.000000 0.591432 O\n0.500000 0.299084 0.412219 O\n0.500000 0.700916 0.412219 O\n0.299084 0.500000 0.912219 O\n0.700916 0.500000 0.912219 O\n0.000000 0.176023 0.765949 O\n0.000000 0.823977 0.765949 O\n0.823977 0.000000 0.265949 O\n0.176023 0.000000 0.265949 O\n0.500000 0.701607 0.706100 O\n0.500000 0.298393 0.706100 O\n0.701607 0.500000 0.206100 O\n0.298393 0.500000 0.206100 O\n","nsites":50,"nelements":4,"elements":["Li","Ge","P","O"],"chemical_system":"Ge-Li-O-P","density":2.500424779110919,"density_atomic":0.09506488588343358,"volume":525.956556254734,"volume_molar":6.334768830821734,"formula_full":"Li20 Ge2 P4 O24","formula_reduced":"Li10Ge(PO6)2","formula_anonymous":"AB2C10D12","energy":-312.2990186,"energy_per_atom":-6.245980372,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.8110186,"band_gap":4.4506,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.96e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.498000Z","spacegroup":105}]}