{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10162","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10160","results":[{"id":"mp-555485","created_at":"2022-09-04T14:47:34.256586Z","structure_string":"Rb8 Gd4 Ga4 Si16 O48\n1.0\n3.704592 13.651683 0.000000\n-3.704592 13.651683 0.000000\n0.000000 8.279808 12.605425\nRb Gd Ga Si O\n8 4 4 16 48\ndirect\n0.688586 0.695067 0.033865 Rb\n0.311414 0.304933 0.966135 Rb\n0.304933 0.311414 0.466135 Rb\n0.695067 0.688586 0.533865 Rb\n0.227785 0.702655 0.952862 Rb\n0.297345 0.772215 0.547138 Rb\n0.772215 0.297345 0.047138 Rb\n0.702655 0.227785 0.452862 Rb\n0.486163 0.051516 0.750019 Gd\n0.513837 0.948484 0.249981 Gd\n0.948484 0.513837 0.749981 Gd\n0.051516 0.486163 0.250019 Gd\n0.628959 0.231195 0.726238 Ga\n0.231195 0.628959 0.226238 Ga\n0.371041 0.768805 0.273762 Ga\n0.768805 0.371041 0.773762 Ga\n0.760585 0.478311 0.339076 Si\n0.239415 0.521689 0.660924 Si\n0.195393 0.139585 0.491241 Si\n0.832589 0.291863 0.577337 Si\n0.708137 0.167411 0.922663 Si\n0.861556 0.814327 0.795337 Si\n0.167411 0.708137 0.422663 Si\n0.804607 0.860415 0.508759 Si\n0.478311 0.760585 0.839076 Si\n0.138444 0.185673 0.204663 Si\n0.521689 0.239415 0.160924 Si\n0.814327 0.861556 0.295337 Si\n0.860415 0.804607 0.008759 Si\n0.291863 0.832589 0.077337 Si\n0.185673 0.138444 0.704663 Si\n0.139585 0.195393 0.991241 Si\n0.652345 0.922939 0.074614 O\n0.347655 0.077061 0.925386 O\n0.562021 0.255780 0.032267 O\n0.081357 0.269109 0.089846 O\n0.269109 0.081357 0.589846 O\n0.585425 0.560887 0.332753 O\n0.610339 0.764065 0.774582 O\n0.730838 0.043483 0.200629 O\n0.918643 0.730891 0.910154 O\n0.967334 0.378640 0.924229 O\n0.429606 0.707052 0.157276 O\n0.560887 0.585425 0.832753 O\n0.058448 0.136388 0.555888 O\n0.956517 0.269162 0.299371 O\n0.744220 0.437979 0.467733 O\n0.202505 0.242305 0.201609 O\n0.621360 0.032666 0.575771 O\n0.269162 0.956517 0.799371 O\n0.764065 0.610339 0.274582 O\n0.730891 0.918643 0.410154 O\n0.047529 0.671447 0.270104 O\n0.032666 0.621360 0.075771 O\n0.169744 0.819099 0.121411 O\n0.707052 0.429606 0.657276 O\n0.414575 0.439113 0.667247 O\n0.180901 0.830256 0.378589 O\n0.671447 0.047529 0.770104 O\n0.757695 0.797495 0.298391 O\n0.830256 0.180901 0.878589 O\n0.439113 0.414575 0.167247 O\n0.077061 0.347655 0.425386 O\n0.922939 0.652345 0.574614 O\n0.235935 0.389661 0.725418 O\n0.570394 0.292948 0.842724 O\n0.389661 0.235935 0.225418 O\n0.941552 0.863612 0.444112 O\n0.255780 0.562021 0.532267 O\n0.328553 0.952471 0.229896 O\n0.378640 0.967334 0.424229 O\n0.292948 0.570394 0.342724 O\n0.819099 0.169744 0.621411 O\n0.797495 0.757695 0.798391 O\n0.136388 0.058448 0.055888 O\n0.863612 0.941552 0.944112 O\n0.437979 0.744220 0.967733 O\n0.043483 0.730838 0.700629 O\n0.952471 0.328553 0.729896 O\n0.242305 0.202505 0.701609 O\n","nsites":80,"nelements":5,"elements":["Rb","Gd","Ga","Si","O"],"chemical_system":"Ga-Gd-O-Rb-Si","density":3.658328385811458,"density_atomic":0.06274453698895174,"volume":1275.0114008186347,"volume_molar":9.597872657918247,"formula_full":"Rb8 Gd4 Ga4 Si16 O48","formula_reduced":"Rb2GdGa(SiO3)4","formula_anonymous":"ABC2D4E12","energy":-651.12169178,"energy_per_atom":-8.13902114725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-618.14569178,"band_gap":3.3463,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.046000Z","spacegroup":15},{"id":"mp-568643","created_at":"2022-09-04T14:47:34.284475Z","structure_string":"Rb2 C16\n1.0\n0.000000 4.309365 11.490352\n2.486643 0.000000 11.490352\n2.486643 4.309365 0.000000\nRb C\n2 16\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.791662 0.458305 0.541471 C\n0.541471 0.208562 0.791662 C\n0.458305 0.791662 0.208562 C\n0.791695 0.458338 0.041438 C\n0.957156 0.290702 0.709581 C\n0.042561 0.709581 0.290702 C\n0.708529 0.041438 0.458338 C\n0.292844 0.959298 0.540419 C\n0.959298 0.292844 0.207439 C\n0.207439 0.540419 0.959298 C\n0.041438 0.708529 0.791695 C\n0.458338 0.791695 0.708529 C\n0.208562 0.541471 0.458305 C\n0.290702 0.957156 0.042561 C\n0.540419 0.207439 0.292844 C\n0.709581 0.042561 0.957156 C\n","nsites":18,"nelements":2,"elements":["Rb","C"],"chemical_system":"C-Rb","density":2.4484623556758898,"density_atomic":0.07309412250546259,"volume":246.2578300827785,"volume_molar":8.23888508894808,"formula_full":"Rb2 C16","formula_reduced":"RbC8","formula_anonymous":"AB8","energy":-150.35278035,"energy_per_atom":-8.352932241666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.35278035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.025321,"is_theoretical":false,"updated_at":"2021-11-28T01:38:17.172000Z","spacegroup":70},{"id":"mp-23508","created_at":"2022-09-04T14:47:34.372734Z","structure_string":"Rb4 Cu2 Cl8\n1.0\n3.593462 -7.941117 0.000000\n3.593462 7.941117 0.000000\n0.000000 0.000000 7.192604\nRb Cu Cl\n4 2 8\ndirect\n0.139308 0.860692 0.500000 Rb\n0.639308 0.360692 0.000000 Rb\n0.360692 0.639308 0.000000 Rb\n0.860692 0.139308 0.500000 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.849749 0.150251 0.000000 Cl\n0.650251 0.349749 0.500000 Cl\n0.150251 0.849749 0.000000 Cl\n0.226562 0.226562 0.774806 Cl\n0.349749 0.650251 0.500000 Cl\n0.273438 0.273438 0.274806 Cl\n0.726562 0.726562 0.725194 Cl\n0.773438 0.773438 0.225194 Cl\n","nsites":14,"nelements":3,"elements":["Rb","Cu","Cl"],"chemical_system":"Cl-Cu-Rb","density":3.0443538362020464,"density_atomic":0.03410493596445241,"volume":410.49776532617466,"volume_molar":17.657680888997653,"formula_full":"Rb4 Cu2 Cl8","formula_reduced":"Rb2CuCl4","formula_anonymous":"AB2C4","energy":-50.63495021,"energy_per_atom":-3.6167821578571426,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.72295021,"band_gap":0.0631,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9993863,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.504000Z","spacegroup":64},{"id":"mp-1197032","created_at":"2022-09-04T14:47:34.029805Z","structure_string":"Ag28 P4 S24\n1.0\n10.531028 0.000000 0.000000\n0.000000 10.531028 0.000000\n0.000000 0.000000 10.531028\nAg P S\n28 4 24\ndirect\n0.233383 0.926578 0.902503 Ag\n0.097497 0.733383 0.573422 Ag\n0.426578 0.597497 0.766617 Ag\n0.733383 0.573422 0.097497 Ag\n0.597497 0.766617 0.426578 Ag\n0.926578 0.902503 0.233383 Ag\n0.766617 0.426578 0.597497 Ag\n0.902503 0.233383 0.926578 Ag\n0.573422 0.097497 0.733383 Ag\n0.266617 0.073422 0.402503 Ag\n0.402503 0.266617 0.073422 Ag\n0.073422 0.402503 0.266617 Ag\n0.007742 0.772735 0.984096 Ag\n0.015904 0.507742 0.727265 Ag\n0.272735 0.515904 0.992258 Ag\n0.507742 0.727265 0.015904 Ag\n0.515904 0.992258 0.272735 Ag\n0.772735 0.984096 0.007742 Ag\n0.992258 0.272735 0.515904 Ag\n0.984096 0.007742 0.772735 Ag\n0.727265 0.015904 0.507742 Ag\n0.492258 0.227265 0.484096 Ag\n0.484096 0.492258 0.227265 Ag\n0.227265 0.484096 0.492258 Ag\n0.351958 0.851958 0.648042 Ag\n0.851958 0.648042 0.351958 Ag\n0.648042 0.351958 0.851958 Ag\n0.148042 0.148042 0.148042 Ag\n0.751380 0.251380 0.248620 P\n0.251380 0.248620 0.751380 P\n0.248620 0.751380 0.251380 P\n0.748620 0.748620 0.748620 P\n0.865357 0.365357 0.134643 S\n0.365357 0.134643 0.865357 S\n0.134643 0.865357 0.365357 S\n0.634643 0.634643 0.634643 S\n0.354587 0.868343 0.133092 S\n0.866908 0.854587 0.631657 S\n0.368343 0.366908 0.645413 S\n0.854587 0.631657 0.866908 S\n0.366908 0.645413 0.368343 S\n0.868343 0.133092 0.354587 S\n0.645413 0.368343 0.366908 S\n0.133092 0.354587 0.868343 S\n0.631657 0.866908 0.854587 S\n0.145413 0.131657 0.633092 S\n0.633092 0.145413 0.131657 S\n0.131657 0.633092 0.145413 S\n0.219230 0.719230 0.780770 S\n0.719230 0.780770 0.219230 S\n0.780770 0.219230 0.719230 S\n0.280770 0.280770 0.280770 S\n0.485340 0.985340 0.514660 S\n0.985340 0.514660 0.485340 S\n0.514660 0.485340 0.985340 S\n0.014660 0.014660 0.014660 S\n","nsites":56,"nelements":3,"elements":["Ag","P","S"],"chemical_system":"Ag-P-S","density":5.564568604235669,"density_atomic":0.04794857718889619,"volume":1167.9178670804927,"volume_molar":12.559581770853029,"formula_full":"Ag28 P4 S24","formula_reduced":"Ag7PS6","formula_anonymous":"AB6C7","energy":-219.30051979,"energy_per_atom":-3.9160807105357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.22851979,"band_gap":0.9116,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002278,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.048000Z","spacegroup":198},{"id":"mp-28870","created_at":"2022-09-04T14:47:34.127407Z","structure_string":"P6 Rh6 O24\n1.0\n-3.238794 5.281405 6.663621\n3.238794 -5.281405 6.663621\n3.238794 5.281405 -6.663621\nP Rh O\n6 6 24\ndirect\n0.174244 0.674244 0.000000 P\n0.325756 0.325756 0.500000 P\n0.825756 0.325756 0.000000 P\n0.674244 0.674244 0.500000 P\n0.750000 0.830787 0.080787 P\n0.250000 0.169213 0.919213 P\n0.118973 0.118973 0.500000 Rh\n0.381027 0.881027 0.000000 Rh\n0.881027 0.881027 0.500000 Rh\n0.618973 0.118973 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.143986 0.783295 0.913870 O\n0.356014 0.269884 0.639310 O\n0.130575 0.216705 0.360690 O\n0.369425 0.730116 0.086130 O\n0.856014 0.216705 0.086130 O\n0.643986 0.730116 0.360690 O\n0.869425 0.783295 0.639310 O\n0.630575 0.269884 0.913870 O\n0.914913 0.577323 0.214754 O\n0.585087 0.799841 0.662410 O\n0.637431 0.422677 0.337590 O\n0.862569 0.200159 0.785246 O\n0.154038 0.202537 0.048499 O\n0.345962 0.394461 0.048499 O\n0.845962 0.797463 0.951501 O\n0.654038 0.605539 0.951501 O\n0.628173 0.976928 0.105101 O\n0.871827 0.976928 0.348754 O\n0.128173 0.023072 0.651246 O\n0.371827 0.023072 0.894899 O\n0.137431 0.799841 0.214754 O\n0.362569 0.577323 0.662410 O\n0.414913 0.200159 0.337590 O\n0.085087 0.422677 0.785246 O\n","nsites":36,"nelements":3,"elements":["P","Rh","O"],"chemical_system":"O-P-Rh","density":4.324065705597544,"density_atomic":0.07895859701958295,"volume":455.9351528380304,"volume_molar":7.626960188396479,"formula_full":"P6 Rh6 O24","formula_reduced":"PRhO4","formula_anonymous":"ABC4","energy":-266.28736884,"energy_per_atom":-7.396871356666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.79936884,"band_gap":0.9836,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002697,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.708000Z","spacegroup":74},{"id":"mp-768070","created_at":"2022-09-04T14:47:34.134783Z","structure_string":"Na8 Ni4 P4 C4 O28\n1.0\n6.666401 0.000000 0.000000\n-0.042951 10.098392 0.000000\n-0.043519 -5.030255 8.991314\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.481774 0.267096 0.259881 Na\n0.017044 0.266356 0.260603 Na\n0.989850 0.742339 0.253606 Na\n0.513099 0.740829 0.250125 Na\n0.736357 0.911534 0.055333 Na\n0.010486 0.255267 0.749555 Na\n0.487833 0.254813 0.749649 Na\n0.979766 0.733939 0.734284 Na\n0.750738 0.347396 0.064121 Ni\n0.255713 0.654111 0.439119 Ni\n0.749661 0.347449 0.561176 Ni\n0.253676 0.655174 0.935625 Ni\n0.249955 0.420493 0.070078 P\n0.751110 0.580782 0.430103 P\n0.250967 0.423379 0.573118 P\n0.749935 0.579760 0.933858 P\n0.247381 0.931075 0.109884 C\n0.250700 0.928282 0.607905 C\n0.749807 0.068199 0.387765 C\n0.752467 0.072228 0.891889 C\n0.748335 0.135222 0.037590 O\n0.063677 0.323754 0.057108 O\n0.436730 0.326224 0.058581 O\n0.752566 0.426121 0.282995 O\n0.250345 0.460386 0.441334 O\n0.757450 0.541810 0.065302 O\n0.249697 0.573586 0.218105 O\n0.938587 0.677250 0.443834 O\n0.565006 0.672745 0.436670 O\n0.250338 0.830106 0.154376 O\n0.249656 0.828980 0.652958 O\n0.254776 0.866890 0.463636 O\n0.751945 0.926123 0.299984 O\n0.759749 0.931468 0.812574 O\n0.247702 0.071676 0.197846 O\n0.248018 0.068852 0.693141 O\n0.749344 0.129607 0.530905 O\n0.747789 0.163570 0.336482 O\n0.749034 0.169785 0.844227 O\n0.064637 0.323085 0.553738 O\n0.437018 0.326983 0.558244 O\n0.748470 0.429346 0.786415 O\n0.248878 0.458215 0.939367 O\n0.755889 0.540368 0.557755 O\n0.243940 0.573968 0.719726 O\n0.563240 0.678979 0.960044 O\n0.932966 0.681690 0.949376 O\n0.246052 0.872388 0.966883 O\n","nsites":48,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.8492853509750686,"density_atomic":0.07930022391975518,"volume":605.2946338281688,"volume_molar":7.594103096220604,"formula_full":"Na8 Ni4 P4 C4 O28","formula_reduced":"Na2NiPCO7","formula_anonymous":"ABCD2E7","energy":-330.55794641,"energy_per_atom":-6.886623883541667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-301.15794641,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2050222,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.445000Z","spacegroup":1},{"id":"mp-974059","created_at":"2022-09-04T14:47:34.182114Z","structure_string":"Li1 Dy1 In2\n1.0\n0.000000 3.634214 3.634214\n3.634214 0.000000 3.634214\n3.634214 3.634214 0.000000\nLi Dy In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n","nsites":4,"nelements":3,"elements":["Li","Dy","In"],"chemical_system":"Dy-In-Li","density":6.903102299499409,"density_atomic":0.04166760173363168,"volume":95.99784565405959,"volume_molar":14.452813479637527,"formula_full":"Li1 Dy1 In2","formula_reduced":"LiDyIn2","formula_anonymous":"ABC2","energy":-13.52194776,"energy_per_atom":-3.38048694,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.52194776,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.62e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.686000Z","spacegroup":225},{"id":"mp-1218848","created_at":"2022-09-04T14:47:34.285223Z","structure_string":"Sr16 Cu2 W6 O36\n1.0\n5.960109 0.000000 0.000000\n-0.002901 10.417041 0.000000\n-2.961161 -5.193681 14.640847\nSr Cu W O\n16 2 6 36\ndirect\n0.535824 0.845314 0.066443 Sr\n0.874771 0.856288 0.746064 Sr\n0.203777 0.849078 0.419962 Sr\n0.453358 0.056046 0.900202 Sr\n0.784463 0.043214 0.565638 Sr\n0.115399 0.086979 0.240376 Sr\n0.961266 0.642223 0.907410 Sr\n0.294441 0.651158 0.593746 Sr\n0.624539 0.652231 0.266331 Sr\n0.044062 0.338776 0.073254 Sr\n0.361962 0.337892 0.740407 Sr\n0.710803 0.344819 0.412736 Sr\n0.079320 0.735717 0.161627 Sr\n0.252723 0.247866 0.500966 Sr\n0.583566 0.252475 0.165603 Sr\n0.914500 0.252603 0.834009 Sr\n0.405780 0.674891 0.815559 Cu\n0.735704 0.674368 0.488096 Cu\n0.507658 0.502341 0.998402 W\n0.829905 0.506810 0.668347 W\n0.164859 0.503176 0.338088 W\n0.663523 0.003270 0.332848 W\n0.002980 0.999510 0.998815 W\n0.335632 0.995676 0.666603 W\n0.411082 0.636752 0.104691 O\n0.682671 0.642286 0.767001 O\n0.022073 0.621628 0.444708 O\n0.783101 0.625596 0.031776 O\n0.114685 0.642218 0.727766 O\n0.451761 0.636987 0.396290 O\n0.379813 0.632442 0.922325 O\n0.733234 0.639042 0.601411 O\n0.048087 0.636825 0.279650 O\n0.606908 0.391597 0.890716 O\n0.970442 0.408554 0.571297 O\n0.301104 0.414344 0.235276 O\n0.203323 0.414274 0.960823 O\n0.541602 0.408775 0.625526 O\n0.887849 0.391914 0.292422 O\n0.637564 0.399044 0.071960 O\n0.954227 0.415659 0.750821 O\n0.301603 0.400596 0.412537 O\n0.562916 0.122103 0.442616 O\n0.887730 0.124454 0.104746 O\n0.215350 0.118023 0.770592 O\n0.947417 0.123861 0.376351 O\n0.284424 0.124381 0.041559 O\n0.616125 0.118848 0.707119 O\n0.202417 0.113494 0.595341 O\n0.533773 0.129471 0.269538 O\n0.874610 0.119443 0.930254 O\n0.137831 0.887961 0.900303 O\n0.469563 0.880974 0.566749 O\n0.787956 0.895679 0.227250 O\n0.721001 0.888005 0.951272 O\n0.052194 0.881110 0.617846 O\n0.371878 0.893486 0.290008 O\n0.452685 0.887644 0.741271 O\n0.784389 0.884796 0.400660 O\n0.125794 0.895013 0.077996 O\n","nsites":60,"nelements":4,"elements":["Sr","Cu","W","O"],"chemical_system":"Cu-O-Sr-W","density":5.860339748092362,"density_atomic":0.06600646467059271,"volume":909.0018727624915,"volume_molar":9.123562048132223,"formula_full":"Sr16 Cu2 W6 O36","formula_reduced":"Sr8Cu(WO6)3","formula_anonymous":"AB3C8D18","energy":-458.34184357,"energy_per_atom":-7.639030726166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-406.98184357,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0054094,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.394000Z","spacegroup":1},{"id":"mp-1097141","created_at":"2022-09-04T14:47:34.618220Z","structure_string":"Fe1 Sn1 Rh2\n1.0\n-4.764817 5.513684 7.771700\n4.764817 -5.513684 7.771700\n4.764817 5.513684 -7.771700\nFe Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Sn\n0.000000 0.237425 0.237425 Rh\n0.000000 0.762575 0.762575 Rh\n","nsites":4,"nelements":3,"elements":["Fe","Sn","Rh"],"chemical_system":"Fe-Rh-Sn","density":0.7733688403752439,"density_atomic":0.004897741667496218,"volume":816.7029360788738,"volume_molar":122.95750100430651,"formula_full":"Fe1 Sn1 Rh2","formula_reduced":"FeSnRh2","formula_anonymous":"ABC2","energy":-17.22601368,"energy_per_atom":-4.30650342,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.22601368,"band_gap":0.2374,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9995855,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.939000Z","spacegroup":71},{"id":"mp-24405","created_at":"2022-09-04T14:47:34.031257Z","structure_string":"Li2 Cd8 Ge10 H2 O30\n1.0\n7.199572 0.000000 0.000000\n-0.683208 8.045315 0.000000\n-0.671721 -3.458393 11.983683\nLi Cd Ge H O\n2 8 10 2 30\ndirect\n0.676733 0.864754 0.404764 Li\n0.323267 0.135246 0.595236 Li\n0.056585 0.095740 0.151242 Cd\n0.727500 0.253844 0.981242 Cd\n0.272500 0.746156 0.018758 Cd\n0.814636 0.464641 0.263712 Cd\n0.185364 0.535359 0.736288 Cd\n0.867546 0.683010 0.556683 Cd\n0.132454 0.316990 0.443317 Cd\n0.943415 0.904260 0.848758 Cd\n0.572967 0.024693 0.174677 Ge\n0.893899 0.145628 0.647405 Ge\n0.106101 0.854372 0.352595 Ge\n0.777360 0.681047 0.040063 Ge\n0.222640 0.318953 0.959937 Ge\n0.706061 0.490081 0.772596 Ge\n0.293939 0.509919 0.227404 Ge\n0.642000 0.223743 0.442975 Ge\n0.358000 0.776257 0.557025 Ge\n0.427033 0.975307 0.825323 Ge\n0.520983 0.590380 0.390034 H\n0.479017 0.409620 0.609966 H\n0.223096 0.721434 0.239488 O\n0.509782 0.515900 0.304757 O\n0.490218 0.484100 0.695243 O\n0.833730 0.511248 0.093968 O\n0.166270 0.488752 0.906032 O\n0.649627 0.974355 0.887355 O\n0.350373 0.025645 0.112645 O\n0.902183 0.738949 0.379317 O\n0.097817 0.261051 0.620683 O\n0.562913 0.709439 0.496940 O\n0.437087 0.290561 0.503060 O\n0.776904 0.278566 0.760512 O\n0.120015 0.380220 0.269337 O\n0.937052 0.954467 0.677860 O\n0.062948 0.045533 0.322140 O\n0.602669 0.797130 0.117228 O\n0.397331 0.202870 0.882772 O\n0.644141 0.568325 0.910759 O\n0.415251 0.957439 0.678384 O\n0.584749 0.042561 0.321616 O\n0.035816 0.175683 0.976450 O\n0.964184 0.824317 0.023550 O\n0.266082 0.909382 0.475350 O\n0.879985 0.619780 0.730663 O\n0.747113 0.174843 0.151611 O\n0.733918 0.090618 0.524650 O\n0.183811 0.613671 0.564540 O\n0.816189 0.386329 0.435460 O\n0.252887 0.825157 0.848389 O\n0.355859 0.431675 0.089241 O\n","nsites":52,"nelements":5,"elements":["Li","Cd","Ge","H","O"],"chemical_system":"Cd-Ge-H-Li-O","density":5.075349858541212,"density_atomic":0.07491405392963776,"volume":694.1287685330773,"volume_molar":8.038732980137791,"formula_full":"Li2 Cd8 Ge10 H2 O30","formula_reduced":"LiCd4Ge5HO15","formula_anonymous":"ABC4D5E15","energy":-311.79056995,"energy_per_atom":-5.995972499038462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.18056995,"band_gap":1.8714,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032275,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.210000Z","spacegroup":2},{"id":"mp-1517191","created_at":"2022-09-04T14:47:34.098969Z","structure_string":"Ba8 Sm4 W4 O24\n1.0\n8.625842 -0.000000 0.000000\n0.000000 8.625842 -0.000000\n0.000000 0.000000 8.625842\nBa Sm W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Sm\n0.750000 0.250000 0.250000 Sm\n0.250000 0.750000 0.250000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.233067 0.263199 0.483159 O\n0.233067 0.736801 0.516841 O\n0.766933 0.263199 0.516841 O\n0.766933 0.736801 0.483159 O\n0.263199 0.483159 0.233067 O\n0.736801 0.516841 0.233067 O\n0.263199 0.516841 0.766933 O\n0.736801 0.483159 0.766933 O\n0.483159 0.233067 0.263199 O\n0.516841 0.233067 0.736801 O\n0.516841 0.766933 0.263199 O\n0.483159 0.766933 0.736801 O\n0.266933 0.236801 0.016841 O\n0.266933 0.763199 0.983159 O\n0.733067 0.236801 0.983159 O\n0.733067 0.763199 0.016841 O\n0.236801 0.016841 0.266933 O\n0.763199 0.983159 0.266933 O\n0.236801 0.983159 0.733067 O\n0.763199 0.016841 0.733067 O\n0.016841 0.266933 0.236801 O\n0.983159 0.266933 0.763199 O\n0.983159 0.733067 0.236801 O\n0.016841 0.733067 0.763199 O\n","nsites":40,"nelements":4,"elements":["Ba","Sm","W","O"],"chemical_system":"Ba-O-Sm-W","density":7.294601013829117,"density_atomic":0.06232402522364833,"volume":641.8070696887905,"volume_molar":9.662631286072564,"formula_full":"Ba8 Sm4 W4 O24","formula_reduced":"Ba2SmWO6","formula_anonymous":"ABC2D6","energy":-328.25887882000006,"energy_per_atom":-8.2064719705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.01887882,"band_gap":1.7704000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.896000Z","spacegroup":201},{"id":"mp-981387","created_at":"2022-09-04T14:47:34.124697Z","structure_string":"Hg3 Bi1\n1.0\n4.759273 0.000000 0.000000\n0.000000 4.759273 0.000000\n0.000000 0.000000 4.759273\nHg Bi\n3 1\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Bi\n","nsites":4,"nelements":2,"elements":["Hg","Bi"],"chemical_system":"Bi-Hg","density":12.488619013699696,"density_atomic":0.03710548727425964,"volume":107.80076732140991,"volume_molar":16.229784871138467,"formula_full":"Hg3 Bi1","formula_reduced":"Hg3Bi","formula_anonymous":"AB3","energy":-4.3379384,"energy_per_atom":-1.0844846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.3379384,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004974,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.770000Z","spacegroup":221}]}