{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10124","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10122","results":[{"id":"mp-1189625","created_at":"2022-09-04T14:45:58.211487Z","structure_string":"Cs4 Li2 Sc2 Cl12\n1.0\n12.343023 -3.728038 0.000000\n12.343023 3.728038 0.000000\n11.217022 0.000000 6.358216\nCs Li Sc Cl\n4 2 2 12\ndirect\n0.873841 0.873841 0.873841 Cs\n0.126159 0.126159 0.126159 Cs\n0.710959 0.710959 0.710959 Cs\n0.289041 0.289041 0.289041 Cs\n0.588766 0.588766 0.588766 Li\n0.411234 0.411234 0.411234 Li\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.387886 0.848863 0.387886 Cl\n0.387886 0.387886 0.848863 Cl\n0.848863 0.387886 0.387886 Cl\n0.612114 0.151137 0.612114 Cl\n0.612114 0.612114 0.151137 Cl\n0.151137 0.612114 0.612114 Cl\n0.199545 0.719478 0.199545 Cl\n0.199545 0.199545 0.719478 Cl\n0.719478 0.199545 0.199545 Cl\n0.800455 0.280522 0.800455 Cl\n0.800455 0.800455 0.280522 Cl\n0.280522 0.800455 0.800455 Cl\n","nsites":20,"nelements":4,"elements":["Cs","Li","Sc","Cl"],"chemical_system":"Cl-Cs-Li-Sc","density":3.0104859461986857,"density_atomic":0.03417927557491153,"volume":585.1499092239543,"volume_molar":17.619275595239376,"formula_full":"Cs4 Li2 Sc2 Cl12","formula_reduced":"Cs2LiScCl6","formula_anonymous":"ABC2D6","energy":-90.84124818,"energy_per_atom":-4.542062409,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.47324818000001,"band_gap":3.8154,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004115,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.397000Z","spacegroup":166},{"id":"mp-1205958","created_at":"2022-09-04T14:45:59.084082Z","structure_string":"Sr2 Cr1 Re1 O6\n1.0\n-3.965100 -3.965100 0.000000\n-3.965100 0.000000 -3.965100\n0.000000 -3.965100 -3.965100\nSr Cr Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Re\n0.751428 0.751428 0.248572 O\n0.248572 0.248572 0.751428 O\n0.751428 0.248572 0.751428 O\n0.248572 0.751428 0.248572 O\n0.248572 0.751428 0.751428 O\n0.751428 0.248572 0.248572 O\n","nsites":10,"nelements":4,"elements":["Sr","Cr","Re","O"],"chemical_system":"Cr-O-Re-Sr","density":6.784991112453052,"density_atomic":0.08020613153998005,"volume":124.678747222902,"volume_molar":7.50832965556775,"formula_full":"Sr2 Cr1 Re1 O6","formula_reduced":"Sr2CrReO6","formula_anonymous":"ABC2D6","energy":-81.87663597,"energy_per_atom":-8.187663597,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.75563597,"band_gap":0.2378,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0003011,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.495000Z","spacegroup":225},{"id":"mp-758955","created_at":"2022-09-04T14:45:58.243104Z","structure_string":"Li4 Cu4 P4 O16\n1.0\n5.197332 0.000000 0.000000\n0.000000 6.229665 0.000000\n0.000000 0.000000 10.832888\nLi Cu P O\n4 4 4 16\ndirect\n0.250704 0.509834 0.166676 Li\n0.750704 0.009834 0.333324 Li\n0.250704 0.990166 0.666676 Li\n0.750704 0.490166 0.833324 Li\n0.743884 0.771209 0.087082 Cu\n0.243884 0.271209 0.412918 Cu\n0.743884 0.728791 0.587082 Cu\n0.243884 0.228791 0.912918 Cu\n0.250042 0.005520 0.169657 P\n0.750042 0.505520 0.330343 P\n0.250042 0.494480 0.669657 P\n0.750042 0.994480 0.830343 P\n0.189687 0.204819 0.087976 O\n0.130870 0.798493 0.115941 O\n0.636066 0.545643 0.199052 O\n0.544599 0.981713 0.180961 O\n0.044599 0.481713 0.319039 O\n0.136066 0.045643 0.300948 O\n0.630870 0.298493 0.384059 O\n0.689687 0.704819 0.412024 O\n0.189687 0.295181 0.587976 O\n0.130870 0.701507 0.615941 O\n0.636066 0.954357 0.699052 O\n0.544599 0.518287 0.680961 O\n0.044599 0.018287 0.819039 O\n0.136066 0.454357 0.800948 O\n0.630870 0.201507 0.884059 O\n0.689687 0.795181 0.912024 O\n","nsites":28,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.133346351453865,"density_atomic":0.0798304587915958,"volume":350.74331807482633,"volume_molar":7.5436629717002015,"formula_full":"Li4 Cu4 P4 O16","formula_reduced":"LiCuPO4","formula_anonymous":"ABCD4","energy":-185.44085539,"energy_per_atom":-6.6228876925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.44885539,"band_gap":0.0995999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9993183,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.334000Z","spacegroup":33},{"id":"mp-772078","created_at":"2022-09-04T14:45:59.169337Z","structure_string":"Li12 V6 P16 O58\n1.0\n9.786306 0.000000 0.000000\n-4.877461 -8.496764 0.000000\n-0.159447 0.030594 -13.985551\nLi V P O\n12 6 16 58\ndirect\n0.770476 0.090030 0.056709 Li\n0.333886 0.097012 0.564630 Li\n0.671205 0.331396 0.885435 Li\n0.329266 0.239554 0.060944 Li\n0.917046 0.683914 0.058774 Li\n0.232376 0.333975 0.443520 Li\n0.761061 0.666946 0.562452 Li\n0.667251 0.766338 0.938824 Li\n0.666474 0.905631 0.440027 Li\n0.093693 0.768135 0.445343 Li\n0.047525 0.029730 0.985685 Li\n0.987033 0.043599 0.516302 Li\n0.432119 0.433188 0.250967 V\n0.559754 0.560306 0.750174 V\n0.999963 0.435670 0.750070 V\n0.001119 0.558143 0.249390 V\n0.563976 0.000582 0.246012 V\n0.436555 0.996151 0.749862 V\n0.781021 0.090767 0.839176 P\n0.916517 0.219942 0.341594 P\n0.316374 0.086799 0.346214 P\n0.667413 0.334978 0.128466 P\n0.665092 0.334012 0.630997 P\n0.316401 0.219524 0.843260 P\n0.220372 0.308357 0.660257 P\n0.909479 0.688665 0.845157 P\n0.081270 0.302650 0.154874 P\n0.773951 0.685501 0.341806 P\n0.682601 0.770272 0.157207 P\n0.334260 0.666657 0.368865 P\n0.334252 0.667088 0.869923 P\n0.688755 0.911745 0.654831 P\n0.082377 0.774255 0.659137 P\n0.219516 0.917680 0.159918 P\n0.779935 0.987253 0.565377 O\n0.743988 0.080122 0.337307 O\n0.996867 0.200992 0.070467 O\n0.922710 0.255713 0.839780 O\n0.629691 0.104979 0.828585 O\n0.679015 0.189009 0.164295 O\n0.473338 0.092587 0.329023 O\n0.209972 0.012610 0.078964 O\n0.344747 0.080196 0.838609 O\n0.809191 0.332195 0.679327 O\n0.917381 0.377155 0.332195 O\n0.512065 0.187298 0.670599 O\n0.671257 0.341762 0.020895 O\n0.663161 0.339699 0.524498 O\n0.513110 0.324129 0.166785 O\n0.896741 0.525098 0.835261 O\n0.813217 0.487670 0.171635 O\n0.337032 0.254409 0.342564 O\n0.205706 0.203337 0.752748 O\n0.213247 0.214464 0.571535 O\n0.233147 0.218417 0.932938 O\n0.479483 0.372245 0.831285 O\n0.671879 0.487768 0.673173 O\n0.255230 0.338343 0.159964 O\n0.619132 0.527546 0.326197 O\n0.917350 0.661462 0.342727 O\n0.000332 0.198565 0.249054 O\n0.003873 0.206841 0.426709 O\n0.992752 0.778824 0.570649 O\n0.083658 0.339463 0.661895 O\n0.380092 0.462019 0.667669 O\n0.740249 0.663920 0.841818 O\n0.321033 0.509020 0.330816 O\n0.525305 0.619039 0.172269 O\n0.767469 0.767770 0.068366 O\n0.768520 0.770897 0.430189 O\n0.794301 0.793775 0.249173 O\n0.659345 0.742012 0.660540 O\n0.185003 0.525711 0.824596 O\n0.077646 0.457561 0.164380 O\n0.483186 0.663727 0.828926 O\n0.344319 0.675345 0.975855 O\n0.328715 0.666869 0.475343 O\n0.486184 0.809769 0.327483 O\n0.084056 0.619744 0.668065 O\n0.187079 0.672834 0.323548 O\n0.661845 0.917331 0.156717 O\n0.796537 0.000252 0.747665 O\n0.774940 0.997330 0.927542 O\n0.536371 0.918676 0.662779 O\n0.342462 0.816207 0.820941 O\n0.381263 0.922652 0.170110 O\n0.083777 0.746354 0.158227 O\n0.991909 0.780231 0.933753 O\n0.997075 0.793408 0.752460 O\n0.249722 0.918086 0.658869 O\n0.234631 0.003092 0.437064 O\n0.199356 0.991289 0.258723 O\n","nsites":92,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.588045598033121,"density_atomic":0.07911082236051727,"volume":1162.9255929200842,"volume_molar":7.612284363012181,"formula_full":"Li12 V6 P16 O58","formula_reduced":"Li6V3P8O29","formula_anonymous":"A3B6C8D29","energy":-692.4456767600001,"energy_per_atom":-7.526583443043479,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-642.39967676,"band_gap":1.2014999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1005163,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.381000Z","spacegroup":1},{"id":"mp-1041768","created_at":"2022-09-04T14:45:58.289814Z","structure_string":"Mg6 Cr12 Cu6 O42\n1.0\n8.411672 0.000000 0.000000\n0.000000 9.902750 0.000000\n0.000000 0.786212 10.231955\nMg Cr Cu O\n6 12 6 42\ndirect\n0.432911 0.848444 0.572441 Mg\n0.925155 0.500000 0.750000 Mg\n0.432911 0.151556 0.927559 Mg\n0.074845 0.500000 0.250000 Mg\n0.567089 0.151556 0.427559 Mg\n0.567089 0.848444 0.072441 Mg\n0.223368 0.832532 0.287032 Cr\n0.740836 0.834751 0.377348 Cr\n0.259164 0.834751 0.877348 Cr\n0.776632 0.832532 0.787032 Cr\n0.273950 0.514549 0.958081 Cr\n0.740836 0.165249 0.122652 Cr\n0.726050 0.514549 0.458081 Cr\n0.259164 0.165249 0.622652 Cr\n0.273950 0.485451 0.541919 Cr\n0.726050 0.485451 0.041919 Cr\n0.776632 0.167468 0.712968 Cr\n0.223368 0.167468 0.212968 Cr\n0.936114 0.194845 0.409849 Cu\n0.063886 0.805155 0.590151 Cu\n0.445072 0.500000 0.250000 Cu\n0.936114 0.805155 0.090151 Cu\n0.554928 0.500000 0.750000 Cu\n0.063886 0.194845 0.909849 Cu\n0.761419 0.809057 0.955659 O\n0.757473 0.165644 0.290132 O\n0.851425 0.000000 0.750000 O\n0.901038 0.495222 0.114251 O\n0.401425 0.058999 0.567239 O\n0.918511 0.728341 0.721472 O\n0.356104 0.681177 0.930005 O\n0.098962 0.495222 0.614251 O\n0.731506 0.516021 0.874398 O\n0.401425 0.941001 0.932761 O\n0.731506 0.483979 0.625602 O\n0.410685 0.419310 0.880232 O\n0.914676 0.143407 0.045468 O\n0.081489 0.728341 0.221472 O\n0.643896 0.318823 0.069995 O\n0.356104 0.318823 0.569995 O\n0.918511 0.271659 0.778528 O\n0.598575 0.941001 0.432761 O\n0.238581 0.809057 0.455659 O\n0.589315 0.580690 0.119768 O\n0.393767 0.186578 0.290755 O\n0.268494 0.483979 0.125602 O\n0.085324 0.143407 0.545468 O\n0.268494 0.516021 0.374398 O\n0.901038 0.504778 0.385749 O\n0.589315 0.419310 0.380232 O\n0.098962 0.504778 0.885749 O\n0.606233 0.186578 0.790755 O\n0.606233 0.813422 0.709245 O\n0.085324 0.856593 0.954532 O\n0.081489 0.271659 0.278528 O\n0.761419 0.190943 0.544341 O\n0.148575 0.000000 0.250000 O\n0.242527 0.165644 0.790132 O\n0.598575 0.058999 0.067239 O\n0.914676 0.856593 0.454532 O\n0.238581 0.190943 0.044341 O\n0.757473 0.834356 0.209868 O\n0.410685 0.580690 0.619768 O\n0.643896 0.681177 0.430005 O\n0.242527 0.834356 0.709868 O\n0.393767 0.813422 0.209245 O\n","nsites":66,"nelements":4,"elements":["Mg","Cr","Cu","O"],"chemical_system":"Cr-Cu-Mg-O","density":3.5517885227367794,"density_atomic":0.07743675922173111,"volume":852.3083954355154,"volume_molar":7.7768501943066894,"formula_full":"Mg6 Cr12 Cu6 O42","formula_reduced":"MgCr2CuO7","formula_anonymous":"ABC2D7","energy":-478.13633071,"energy_per_atom":-7.244489859242424,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-425.29433071,"band_gap":0.3327,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9977487,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.644000Z","spacegroup":13},{"id":"mp-1291397","created_at":"2022-09-04T14:45:58.300936Z","structure_string":"Mn2 Zn4 W2 O12\n1.0\n-0.000003 5.318732 -0.000009\n0.122669 -0.000014 7.979685\n5.332588 -0.000004 0.063866\nMn Zn W O\n2 4 2 12\ndirect\n0.500379 0.499704 0.000381 Mn\n0.999325 0.999918 0.500552 Mn\n0.024974 0.260097 0.015893 Zn\n0.524929 0.239945 0.484026 Zn\n0.975101 0.739940 0.984029 Zn\n0.475060 0.760095 0.515889 Zn\n0.000074 0.500021 0.499949 W\n0.499913 0.999987 0.999944 W\n0.310734 0.413639 0.641054 O\n0.810747 0.086418 0.858843 O\n0.689307 0.586412 0.358841 O\n0.189316 0.913646 0.141056 O\n0.160311 0.554113 0.181326 O\n0.660262 0.945918 0.318557 O\n0.839766 0.445921 0.818564 O\n0.339713 0.054114 0.681316 O\n0.396988 0.228061 0.118271 O\n0.896958 0.271995 0.381621 O\n0.103060 0.728055 0.618272 O\n0.603083 0.772001 0.881620 O\n","nsites":20,"nelements":4,"elements":["Mn","Zn","W","O"],"chemical_system":"Mn-O-W-Zn","density":6.833341055463896,"density_atomic":0.0883849000413045,"volume":226.28299619791946,"volume_molar":6.813540273492079,"formula_full":"Mn2 Zn4 W2 O12","formula_reduced":"MnZn2WO6","formula_anonymous":"ABC2D6","energy":-147.70184925,"energy_per_atom":-7.3850924625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.24584925,"band_gap":1.9933999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09Z","spacegroup":14},{"id":"mp-1190381","created_at":"2022-09-04T14:45:58.314231Z","structure_string":"Ba2 V2 Si4 O14\n1.0\n0.000000 0.000000 5.427484\n7.190058 0.000000 0.000000\n0.000000 7.750715 -2.713742\nBa V Si O\n2 2 4 14\ndirect\n0.810320 0.750000 0.587437 Ba\n0.222883 0.250000 0.412563 Ba\n0.117498 0.750000 0.212258 V\n0.905240 0.250000 0.787742 V\n0.411380 0.523947 0.793064 Si\n0.618317 0.476053 0.206936 Si\n0.411380 0.976053 0.793064 Si\n0.618317 0.023947 0.206936 Si\n0.118654 0.438036 0.708072 O\n0.410582 0.561964 0.291928 O\n0.118654 0.061964 0.708072 O\n0.410582 0.938036 0.291928 O\n0.517175 0.500000 0.000000 O\n0.517175 0.000000 0.000000 O\n0.997684 0.750000 0.000746 O\n0.996937 0.250000 0.999254 O\n0.383127 0.750000 0.739738 O\n0.643389 0.250000 0.260262 O\n0.612567 0.439099 0.701781 O\n0.910786 0.560901 0.298219 O\n0.612567 0.060901 0.701781 O\n0.910786 0.939099 0.298219 O\n","nsites":22,"nelements":4,"elements":["Ba","V","Si","O"],"chemical_system":"Ba-O-Si-V","density":3.9136959973822814,"density_atomic":0.0727360926817645,"volume":302.46331895025713,"volume_molar":8.279439461160107,"formula_full":"Ba2 V2 Si4 O14","formula_reduced":"BaVSi2O7","formula_anonymous":"ABC2D7","energy":-181.82683648,"energy_per_atom":-8.264856203636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.80883648,"band_gap":2.8032,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000036,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.026000Z","spacegroup":40},{"id":"mp-1113025","created_at":"2022-09-04T14:45:58.322611Z","structure_string":"K2 In1 Cu1 F6\n1.0\n12.413155 0.000000 0.000000\n6.206579 10.750109 0.000000\n6.206579 3.583370 10.135300\nK In Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.246090 0.753910 0.246090 F\n0.753910 0.753910 0.246090 F\n0.753910 0.246090 0.753910 F\n0.753910 0.246090 0.246090 F\n0.246090 0.753910 0.753910 F\n0.246090 0.246090 0.753910 F\n","nsites":10,"nelements":4,"elements":["K","In","Cu","F"],"chemical_system":"Cu-F-In-K","density":0.45495187092404593,"density_atomic":0.007393811013101017,"volume":1352.482499523061,"volume_molar":81.44839987564508,"formula_full":"K2 In1 Cu1 F6","formula_reduced":"K2InCuF6","formula_anonymous":"ABC2D6","energy":-24.543704230000003,"energy_per_atom":-2.4543704230000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.77170423,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9978546,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.260000Z","spacegroup":225},{"id":"mp-18967","created_at":"2022-09-04T14:45:58.738103Z","structure_string":"Ba4 Co2 Mo2 O12\n1.0\n-4.103948 -4.101389 0.000037\n-0.002741 4.104194 -4.105478\n4.109119 -4.106515 -8.210639\nBa Co Mo O\n4 2 2 12\ndirect\n0.624835 0.249515 0.124667 Ba\n0.124965 0.250004 0.625044 Ba\n0.875035 0.749996 0.374957 Ba\n0.375165 0.750485 0.875332 Ba\n0.500000 0.999999 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.750189 0.500266 0.749926 Mo\n0.249811 0.499734 0.250073 Mo\n0.130373 0.260994 0.130651 O\n0.630820 0.261575 0.630654 O\n0.369314 0.261270 0.369449 O\n0.869188 0.261005 0.869509 O\n0.607814 0.738650 0.130686 O\n0.107968 0.738658 0.630563 O\n0.369180 0.738423 0.369347 O\n0.869628 0.739008 0.869348 O\n0.130813 0.738995 0.130491 O\n0.630686 0.738730 0.630552 O\n0.892033 0.261342 0.369437 O\n0.392184 0.261350 0.869313 O\n","nsites":20,"nelements":4,"elements":["Ba","Co","Mo","O"],"chemical_system":"Ba-Co-Mo-O","density":6.306065383062162,"density_atomic":0.07226319379948555,"volume":276.7660678753778,"volume_molar":8.333621091686195,"formula_full":"Ba4 Co2 Mo2 O12","formula_reduced":"Ba2CoMoO6","formula_anonymous":"ABC2D6","energy":-152.27527584,"energy_per_atom":-7.613763792,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.35127584,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0109821,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.686000Z","spacegroup":225},{"id":"mp-1335070","created_at":"2022-09-04T14:45:58.317284Z","structure_string":"Li14 Cr9 P16 O56\n1.0\n9.677841 0.000000 0.000000\n-3.055832 10.799708 0.000000\n-1.568936 -6.191059 10.960042\nLi Cr P O\n14 9 16 56\ndirect\n0.935436 0.131893 0.406805 Li\n0.645470 0.023715 0.605325 Li\n0.042310 0.376694 0.086977 Li\n0.439636 0.126941 0.917712 Li\n0.543454 0.373990 0.590250 Li\n0.354179 0.492650 0.172962 Li\n0.855748 0.501721 0.682201 Li\n0.144252 0.498279 0.317799 Li\n0.645821 0.507350 0.827038 Li\n0.456546 0.626010 0.409750 Li\n0.560364 0.873059 0.082288 Li\n0.957690 0.623306 0.913023 Li\n0.354530 0.976285 0.394675 Li\n0.064564 0.868107 0.593195 Li\n0.698990 0.220362 0.079215 Cr\n0.567123 0.255348 0.297807 Cr\n0.196622 0.222492 0.577383 Cr\n0.000000 0.000000 0.000000 Cr\n0.927317 0.729672 0.209004 Cr\n0.072683 0.270328 0.790996 Cr\n0.803378 0.777508 0.422617 Cr\n0.432877 0.744652 0.702193 Cr\n0.301010 0.779638 0.920785 Cr\n0.976520 0.062433 0.223059 P\n0.360353 0.305034 0.006799 P\n0.475567 0.062099 0.727222 P\n0.807918 0.460898 0.132540 P\n0.235760 0.209514 0.338465 P\n0.857901 0.300831 0.508345 P\n0.739859 0.205796 0.841022 P\n0.685473 0.534709 0.369070 P\n0.314527 0.465291 0.630930 P\n0.260141 0.794204 0.158978 P\n0.142099 0.699169 0.491655 P\n0.764240 0.790486 0.661535 P\n0.192082 0.539102 0.867460 P\n0.524433 0.937901 0.272778 P\n0.639647 0.694966 0.993201 P\n0.023480 0.937567 0.776941 P\n0.581939 0.000952 0.160045 O\n0.922226 0.199405 0.136928 O\n0.537525 0.029324 0.335436 O\n0.158053 0.100353 0.271726 O\n0.741362 0.314061 0.203281 O\n0.841010 0.467595 0.019994 O\n0.715391 0.204075 0.480741 O\n0.984524 0.278148 0.476178 O\n0.397679 0.301719 0.134160 O\n0.397898 0.183900 0.386323 O\n0.658273 0.105131 0.769222 O\n0.085845 0.003904 0.667041 O\n0.159094 0.158411 0.439867 O\n0.900703 0.302256 0.634379 O\n0.418260 0.198224 0.639789 O\n0.905156 0.181087 0.889963 O\n0.941081 0.519499 0.211142 O\n0.666945 0.540372 0.085917 O\n0.202411 0.351519 0.247399 O\n0.043490 0.029146 0.842521 O\n0.665804 0.154569 0.943721 O\n0.822263 0.450733 0.412366 O\n0.550938 0.480002 0.289250 O\n0.714487 0.349856 0.753151 O\n0.510826 0.719882 0.021537 O\n0.784054 0.782973 0.031907 O\n0.242136 0.319983 0.698628 O\n0.343456 0.471397 0.517220 O\n0.656544 0.528603 0.482780 O\n0.757864 0.680017 0.301372 O\n0.215946 0.217027 0.968093 O\n0.489174 0.280118 0.978463 O\n0.285513 0.650144 0.246849 O\n0.449062 0.519998 0.710750 O\n0.177737 0.549267 0.587634 O\n0.334196 0.845431 0.056279 O\n0.956510 0.970854 0.157479 O\n0.797589 0.648481 0.752601 O\n0.333055 0.459628 0.914083 O\n0.058919 0.480501 0.788858 O\n0.094844 0.818913 0.110037 O\n0.581740 0.801776 0.360211 O\n0.099297 0.697744 0.365621 O\n0.840906 0.841589 0.560133 O\n0.914155 0.996096 0.332959 O\n0.341727 0.894869 0.230778 O\n0.602102 0.816100 0.613677 O\n0.602321 0.698281 0.865840 O\n0.015476 0.721852 0.523822 O\n0.284609 0.795925 0.519259 O\n0.158990 0.532405 0.980006 O\n0.258638 0.685939 0.796719 O\n0.841947 0.899647 0.728274 O\n0.462475 0.970676 0.664564 O\n0.077774 0.800595 0.863072 O\n0.418061 0.999048 0.839955 O\n","nsites":95,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.8363995512060973,"density_atomic":0.08293176166261214,"volume":1145.5201010498797,"volume_molar":7.26156135992821,"formula_full":"Li14 Cr9 P16 O56","formula_reduced":"Li14Cr9(P2O7)8","formula_anonymous":"A9B14C16D56","energy":-381.13163859,"energy_per_atom":-4.011911985157895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.66863859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.166000Z","spacegroup":2},{"id":"mp-13831","created_at":"2022-09-04T14:45:58.328706Z","structure_string":"Ba8 Cd8 Ge8 S32\n1.0\n0.000000 10.820119 11.121099\n6.474414 0.000000 11.121099\n6.474414 10.820119 0.000000\nBa Cd Ge S\n8 8 8 32\ndirect\n0.248623 0.748325 0.243426 Ba\n0.759627 0.243426 0.748325 Ba\n0.006574 0.490373 0.001377 Ba\n0.501675 0.001377 0.490373 Ba\n0.259417 0.740583 0.740583 Ba\n0.509417 0.990583 0.990583 Ba\n0.748599 0.251401 0.251401 Ba\n0.998599 0.501401 0.501401 Ba\n0.487459 0.264570 0.734299 Cd\n0.513672 0.734299 0.264570 Cd\n0.515701 0.736328 0.762541 Cd\n0.985430 0.762541 0.736328 Cd\n0.920269 0.828942 0.230647 Cd\n0.020143 0.230647 0.828942 Cd\n0.019353 0.229857 0.329731 Cd\n0.421058 0.329731 0.229857 Cd\n0.349501 0.400443 0.515011 Ge\n0.735045 0.515011 0.400443 Ge\n0.734989 0.514955 0.900499 Ge\n0.849557 0.900499 0.514955 Ge\n0.237348 0.013228 0.983080 Ge\n0.766344 0.983080 0.013228 Ge\n0.266920 0.483656 0.012652 Ge\n0.236772 0.012652 0.483656 Ge\n0.942867 0.967159 0.320404 S\n0.769569 0.320404 0.967159 S\n0.929596 0.480431 0.307133 S\n0.282841 0.307133 0.480431 S\n0.427724 0.983652 0.802417 S\n0.786207 0.802417 0.983652 S\n0.447583 0.463793 0.822276 S\n0.266348 0.822276 0.463793 S\n0.085429 0.665062 0.017063 S\n0.232445 0.017063 0.665062 S\n0.232937 0.017555 0.164571 S\n0.584938 0.164571 0.017555 S\n0.025233 0.724937 0.521920 S\n0.727910 0.521920 0.724937 S\n0.728080 0.522090 0.224767 S\n0.525063 0.224767 0.522090 S\n0.205025 0.542318 0.707730 S\n0.544927 0.707730 0.542318 S\n0.542270 0.705073 0.044975 S\n0.707682 0.044975 0.705073 S\n0.225257 0.522917 0.205842 S\n0.045984 0.205842 0.522917 S\n0.044158 0.204016 0.024743 S\n0.727083 0.024743 0.204016 S\n0.947733 0.961010 0.821845 S\n0.269412 0.821845 0.961010 S\n0.428155 0.980588 0.302267 S\n0.288990 0.302267 0.980588 S\n0.780970 0.807869 0.482900 S\n0.928261 0.482900 0.807869 S\n0.767100 0.321739 0.469030 S\n0.442131 0.469030 0.321739 S\n","nsites":56,"nelements":4,"elements":["Ba","Cd","Ge","S"],"chemical_system":"Ba-Cd-Ge-S","density":3.841994059666839,"density_atomic":0.03593997914972826,"volume":1558.1533802983136,"volume_molar":16.75610532468974,"formula_full":"Ba8 Cd8 Ge8 S32","formula_reduced":"BaCdGeS4","formula_anonymous":"ABCD4","energy":-263.74168917,"energy_per_atom":-4.709673020892857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.64568917,"band_gap":2.6727,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.033000Z","spacegroup":43},{"id":"mp-1233348","created_at":"2022-09-04T14:45:58.358480Z","structure_string":"Mg1 Co4 P8 O28\n1.0\n6.632257 -0.013749 -2.270177\n-0.038174 8.202913 -0.063114\n0.035787 -0.073445 9.521419\nMg Co P O\n1 4 8 28\ndirect\n0.084081 0.065052 0.580636 Mg\n0.733191 0.776775 0.015742 Co\n0.709557 0.727382 0.509467 Co\n0.293062 0.311691 0.475206 Co\n0.282668 0.229928 0.997495 Co\n0.525696 0.069192 0.804705 P\n0.468962 0.922894 0.222916 P\n0.538957 0.423917 0.283249 P\n0.923709 0.966615 0.799770 P\n0.078081 0.459177 0.704082 P\n0.073534 0.045689 0.213081 P\n0.482512 0.573738 0.715043 P\n0.931618 0.552279 0.300729 P\n0.519809 0.591779 0.350075 O\n0.885095 0.618600 0.144602 O\n0.870961 0.960620 0.160864 O\n0.914165 0.685167 0.411384 O\n0.114928 0.399501 0.861287 O\n0.118924 0.067103 0.835102 O\n0.092613 0.316450 0.597882 O\n0.245585 0.594239 0.699573 O\n0.114617 0.115761 0.374545 O\n0.137761 0.471021 0.347010 O\n0.102721 0.179328 0.110329 O\n0.482334 0.212633 0.896211 O\n0.381955 0.065753 0.645685 O\n0.529237 0.905565 0.880935 O\n0.240008 0.905371 0.224127 O\n0.489081 0.406021 0.639445 O\n0.607866 0.582472 0.875788 O\n0.894415 0.911310 0.636297 O\n0.493426 0.284794 0.374844 O\n0.410350 0.415196 0.120436 O\n0.773915 0.405629 0.295450 O\n0.749569 0.098194 0.795965 O\n0.482962 0.086428 0.149783 O\n0.605471 0.915589 0.383239 O\n0.505765 0.785816 0.122502 O\n0.917226 0.828664 0.900668 O\n0.877440 0.546154 0.651667 O\n0.529134 0.712181 0.620752 O\n","nsites":41,"nelements":4,"elements":["Mg","Co","P","O"],"chemical_system":"Co-Mg-O-P","density":3.060320291625643,"density_atomic":0.07905504356199089,"volume":518.625987067478,"volume_molar":7.617655355888519,"formula_full":"Mg1 Co4 P8 O28","formula_reduced":"MgCo4(P2O7)4","formula_anonymous":"AB4C8D28","energy":-302.54480632,"energy_per_atom":-7.379141617560976,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.75680632,"band_gap":0.0592,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.057000Z","spacegroup":1}]}