{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10219","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10217","results":[{"id":"mp-863756","created_at":"2022-09-04T14:43:05.587858Z","structure_string":"K4 Mn6 P8 H8 O24\n1.0\n5.507350 0.000000 0.000247\n2.752613 1.588699 -23.965464\n-2.753675 4.769502 0.000106\nK Mn P H O\n4 6 8 8 24\ndirect\n0.186619 0.219397 0.593337 K\n0.186622 0.719401 0.093335 K\n0.813340 0.280628 0.906655 K\n0.813384 0.780582 0.406669 K\n0.915490 0.626677 0.457778 Mn\n0.084505 0.373349 0.542240 Mn\n0.084563 0.873293 0.042244 Mn\n0.000137 0.999794 0.000071 Mn\n0.000215 0.499901 0.500194 Mn\n0.915238 0.127068 0.957614 Mn\n0.303895 0.044138 0.651946 P\n0.303945 0.544097 0.151991 P\n0.696077 0.455900 0.848039 P\n0.696101 0.955842 0.348031 P\n0.558527 0.162062 0.279284 P\n0.558581 0.661998 0.779320 P\n0.441436 0.337976 0.220692 P\n0.441430 0.837990 0.720679 P\n0.656880 0.014686 0.328428 H\n0.656862 0.514712 0.828424 H\n0.343131 0.485273 0.171578 H\n0.343092 0.985327 0.671555 H\n0.597673 0.103312 0.298864 H\n0.597699 0.603274 0.798878 H\n0.402303 0.396697 0.201127 H\n0.402295 0.896715 0.701120 H\n0.135940 0.061417 0.802620 O\n0.136020 0.561407 0.302579 O\n0.135927 0.061413 0.333315 O\n0.136014 0.561404 0.833466 O\n0.605265 0.061419 0.802629 O\n0.605168 0.561407 0.302589 O\n0.394870 0.438568 0.697435 O\n0.394958 0.938488 0.197469 O\n0.863991 0.438573 0.166531 O\n0.864015 0.938488 0.666497 O\n0.863982 0.438570 0.697440 O\n0.864009 0.938486 0.197471 O\n0.700277 0.181158 0.581854 O\n0.700432 0.681028 0.082003 O\n0.700260 0.181151 0.118444 O\n0.700398 0.681023 0.618455 O\n0.236893 0.181164 0.118490 O\n0.236910 0.681039 0.618497 O\n0.763139 0.318950 0.381529 O\n0.763097 0.818943 0.881501 O\n0.299596 0.318959 0.381566 O\n0.299626 0.818952 0.881532 O\n0.299565 0.318956 0.917975 O\n0.299601 0.818950 0.418017 O\n","nsites":50,"nelements":5,"elements":["K","Mn","P","H","O"],"chemical_system":"H-K-Mn-O-P","density":2.969809380840334,"density_atomic":0.07942639062880236,"volume":629.5136868761165,"volume_molar":7.5820400654290765,"formula_full":"K4 Mn6 P8 H8 O24","formula_reduced":"K2Mn3P4(HO3)4","formula_anonymous":"A2B3C4D4E12","energy":-355.74091502,"energy_per_atom":-7.1148183004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.81291502,"band_gap":3.9518,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0022663,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.392000Z","spacegroup":166},{"id":"mp-707319","created_at":"2022-09-04T14:43:05.596856Z","structure_string":"Bi2 H6 Ru6 C18 O18\n1.0\n8.323669 0.000000 0.000000\n-3.395353 -8.741631 0.000000\n-3.945512 1.044411 -12.011946\nBi H Ru C O\n2 6 6 18 18\ndirect\n0.492845 0.215087 0.597149 Bi\n0.507155 0.784913 0.402851 Bi\n0.507489 0.145491 0.858825 H\n0.492511 0.854509 0.141175 H\n0.343143 0.314252 0.794720 H\n0.656857 0.685748 0.205280 H\n0.662247 0.406091 0.852899 H\n0.337753 0.593909 0.147101 H\n0.298483 0.119784 0.749255 Ru\n0.701517 0.880216 0.250745 Ru\n0.709325 0.240827 0.820908 Ru\n0.290675 0.759173 0.179092 Ru\n0.508537 0.453297 0.734640 Ru\n0.491463 0.546703 0.265360 Ru\n0.212746 0.092672 0.875988 C\n0.787254 0.907328 0.124012 C\n0.080422 0.110275 0.638225 C\n0.919578 0.889725 0.361775 C\n0.264856 0.912536 0.712773 C\n0.735144 0.087464 0.287227 C\n0.726197 0.050109 0.792242 C\n0.273803 0.949891 0.207758 C\n0.827518 0.271572 0.980825 C\n0.172482 0.728428 0.019175 C\n0.916623 0.357144 0.778411 C\n0.083377 0.642856 0.221589 C\n0.698663 0.600382 0.689993 C\n0.301337 0.399618 0.310007 C\n0.505944 0.579913 0.850421 C\n0.494056 0.420087 0.149579 C\n0.320770 0.484051 0.614557 C\n0.679230 0.515949 0.385443 C\n0.153292 0.076390 0.948992 O\n0.846708 0.923610 0.051008 O\n0.944578 0.107230 0.573448 O\n0.055422 0.892770 0.426552 O\n0.245719 0.786462 0.693427 O\n0.754281 0.213538 0.306573 O\n0.736646 0.933253 0.776635 O\n0.263354 0.066747 0.223365 O\n0.907350 0.290370 0.075542 O\n0.092650 0.709630 0.924458 O\n0.043323 0.431112 0.753872 O\n0.956677 0.568888 0.246128 O\n0.815238 0.692262 0.665069 O\n0.184762 0.307738 0.334931 O\n0.495497 0.654178 0.917119 O\n0.504503 0.345822 0.082881 O\n0.205740 0.502868 0.542804 O\n0.794260 0.497132 0.457196 O\n","nsites":50,"nelements":5,"elements":["Bi","H","Ru","C","O"],"chemical_system":"Bi-C-H-O-Ru","density":2.915590632691399,"density_atomic":0.05720702474483934,"volume":874.0185357133175,"volume_molar":10.52692529782937,"formula_full":"Bi2 H6 Ru6 C18 O18","formula_reduced":"BiH3Ru3(CO)9","formula_anonymous":"AB3C3D9E9","energy":-381.36180627,"energy_per_atom":-7.6272361254,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-367.92180627,"band_gap":2.2639,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.338000Z","spacegroup":2},{"id":"mp-685351","created_at":"2022-09-04T14:48:12.021922Z","structure_string":"Ti8 Fe12 O30\n1.0\n5.213739 0.000000 0.000000\n-2.601855 4.876346 0.000000\n-0.056347 -1.768907 21.342101\nTi Fe O\n8 12 30\ndirect\n0.769085 0.579919 0.969939 Ti\n0.103974 0.217564 0.730486 Ti\n0.083266 0.189133 0.872959 Ti\n0.985089 0.988765 0.574212 Ti\n0.601380 0.197769 0.370574 Ti\n0.299188 0.590088 0.474651 Ti\n0.205150 0.394368 0.172154 Ti\n0.922485 0.822452 0.127022 Ti\n0.494433 0.997911 0.926052 Fe\n0.398561 0.800770 0.771534 Fe\n0.798292 0.609263 0.826666 Fe\n0.694792 0.399547 0.527456 Fe\n0.703760 0.390969 0.670890 Fe\n0.401980 0.799436 0.629941 Fe\n0.309602 0.614985 0.330769 Fe\n0.001014 0.997584 0.427447 Fe\n0.894505 0.787219 0.271118 Fe\n0.603250 0.195146 0.229972 Fe\n0.493411 0.995187 0.069636 Fe\n0.202055 0.405191 0.029992 Fe\n0.038606 0.823673 0.910066 O\n0.663260 0.904091 0.848203 O\n0.560070 0.757535 0.989282 O\n0.054046 0.423285 0.813284 O\n0.977075 0.319863 0.943501 O\n0.708125 0.055486 0.710828 O\n0.506166 0.364333 0.885964 O\n0.236055 0.113334 0.649488 O\n0.119690 0.971064 0.786958 O\n0.702937 0.642211 0.610728 O\n0.551553 0.480755 0.748486 O\n0.231302 0.228344 0.513863 O\n0.125554 0.556307 0.691973 O\n0.837775 0.310675 0.443112 O\n0.750435 0.152818 0.590663 O\n0.289562 0.824953 0.413392 O\n0.168431 0.714685 0.542356 O\n0.869509 0.441717 0.315581 O\n0.697156 0.761621 0.491573 O\n0.433419 0.504217 0.248614 O\n0.358444 0.362626 0.387900 O\n0.884595 0.040126 0.211910 O\n0.745584 0.905539 0.345222 O\n0.488409 0.640215 0.119545 O\n0.308282 0.951772 0.295410 O\n0.013764 0.696273 0.049746 O\n0.957688 0.573275 0.185454 O\n0.489090 0.246357 0.006642 O\n0.331996 0.101820 0.151285 O\n0.936147 0.157766 0.095502 O\n","nsites":50,"nelements":3,"elements":["Ti","Fe","O"],"chemical_system":"Fe-O-Ti","density":4.6916619534999935,"density_atomic":0.09214866199477602,"volume":542.6014758937524,"volume_molar":6.535244928831848,"formula_full":"Ti8 Fe12 O30","formula_reduced":"Ti4(Fe2O5)3","formula_anonymous":"A4B6C15","energy":-436.87651744,"energy_per_atom":-8.7375303488,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.19451744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9999321,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.872000Z","spacegroup":1},{"id":"mp-685477","created_at":"2022-09-04T14:48:13.656547Z","structure_string":"Tc12 Bi2 O36\n1.0\n7.265081 0.000000 0.000000\n-0.004411 7.265992 0.000000\n-3.579414 -3.595279 15.433338\nTc Bi O\n12 2 36\ndirect\n0.006557 0.008139 0.998009 Tc\n0.503262 0.982574 0.998118 Tc\n0.164381 0.665741 0.327771 Tc\n0.834061 0.833849 0.164056 Tc\n0.833822 0.346999 0.665366 Tc\n0.667131 0.660026 0.332301 Tc\n0.523094 0.001400 0.499902 Tc\n0.488727 0.500703 0.497696 Tc\n0.338864 0.341161 0.671480 Tc\n0.160644 0.665151 0.834130 Tc\n0.162277 0.164951 0.828826 Tc\n0.832757 0.331789 0.168836 Tc\n0.049589 0.004201 0.502060 Bi\n0.499339 0.462182 0.001706 Bi\n0.702073 0.794251 0.248707 O\n0.248161 0.914451 0.420355 O\n0.362890 0.477336 0.582754 O\n0.054141 0.804306 0.249774 O\n0.154237 0.906257 0.805171 O\n0.945089 0.700981 0.387655 O\n0.946834 0.557188 0.750216 O\n0.021768 0.775011 0.921948 O\n0.023712 0.150773 0.918862 O\n0.731175 0.474315 0.579710 O\n0.646996 0.908427 0.413126 O\n0.515308 0.777269 0.534129 O\n0.599714 0.353522 0.699445 O\n0.726593 0.982634 0.965694 O\n0.796745 0.548564 0.108321 O\n0.588396 0.845103 0.084071 O\n0.584918 0.252067 0.078844 O\n0.696160 0.442855 0.249134 O\n0.416365 0.179202 0.920422 O\n0.300792 0.552279 0.752050 O\n0.404015 0.764544 0.915016 O\n0.196630 0.442005 0.889321 O\n0.400021 0.650595 0.300274 O\n0.483912 0.227173 0.466035 O\n0.275105 0.020739 0.032494 O\n0.274155 0.527388 0.416189 O\n0.330935 0.088681 0.579918 O\n0.052100 0.446242 0.248261 O\n0.969918 0.851057 0.082964 O\n0.970255 0.215452 0.083228 O\n0.840669 0.098177 0.199302 O\n0.062994 0.301151 0.609553 O\n0.952729 0.202163 0.747100 O\n0.735981 0.095000 0.586513 O\n0.643582 0.529748 0.419430 O\n0.309160 0.192506 0.749219 O\n","nsites":50,"nelements":3,"elements":["Tc","Bi","O"],"chemical_system":"Bi-O-Tc","density":4.422841940304135,"density_atomic":0.06137263369625173,"volume":814.6953615753612,"volume_molar":9.81242028785184,"formula_full":"Tc12 Bi2 O36","formula_reduced":"Tc6BiO18","formula_anonymous":"AB6C18","energy":-398.39919954,"energy_per_atom":-7.9679839908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-373.66719954,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034165,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.076000Z","spacegroup":1},{"id":"mp-1218575","created_at":"2022-09-04T14:48:12.471498Z","structure_string":"Sr10 Ti8 Fe2 O30\n1.0\n-7.851435 3.982018 0.003753\n0.003639 -3.982246 -7.850685\n0.000340 -7.959633 3.922893\nSr Ti Fe O\n10 8 2 30\ndirect\n0.999955 0.400031 0.799996 Sr\n0.500033 0.899989 0.800025 Sr\n0.000832 0.200730 0.403260 Sr\n0.500832 0.700713 0.403278 Sr\n0.499166 0.099258 0.196726 Sr\n0.999158 0.599285 0.196685 Sr\n0.500219 0.302578 0.605477 Sr\n0.000194 0.802524 0.605485 Sr\n0.499819 0.497476 0.994528 Sr\n0.999789 0.997411 0.994536 Sr\n0.753435 0.249099 0.004713 Ti\n0.253494 0.749115 0.004769 Ti\n0.746564 0.050904 0.595273 Ti\n0.246499 0.550882 0.595228 Ti\n0.752389 0.846643 0.197883 Ti\n0.252331 0.346619 0.197833 Ti\n0.747608 0.453356 0.402108 Ti\n0.247677 0.953372 0.402170 Ti\n0.749983 0.650014 0.799981 Fe\n0.249988 0.150002 0.799980 Fe\n0.750005 0.150000 0.800010 O\n0.250006 0.649998 0.800009 O\n0.250007 0.149991 0.300006 O\n0.750006 0.649999 0.300000 O\n0.500036 0.399989 0.299980 O\n0.999976 0.900000 0.300026 O\n0.752850 0.949404 0.404243 O\n0.252894 0.449414 0.404250 O\n0.747159 0.350591 0.195762 O\n0.247120 0.850574 0.195757 O\n0.751694 0.545231 0.593988 O\n0.251699 0.045229 0.593953 O\n0.248307 0.254773 0.006063 O\n0.748299 0.754774 0.006005 O\n0.751964 0.246880 0.498681 O\n0.251983 0.746896 0.498729 O\n0.748043 0.053124 0.101331 O\n0.248025 0.553106 0.101276 O\n0.502530 0.997523 0.498639 O\n0.002512 0.497497 0.498618 O\n0.497492 0.802502 0.101391 O\n0.997469 0.302474 0.101366 O\n0.251339 0.346183 0.702835 O\n0.751315 0.846200 0.702795 O\n0.748669 0.453811 0.897192 O\n0.248658 0.953823 0.897171 O\n0.005546 0.100228 0.702917 O\n0.505564 0.600229 0.702931 O\n0.994418 0.699779 0.897055 O\n0.494453 0.199776 0.897089 O\n","nsites":50,"nelements":4,"elements":["Sr","Ti","Fe","O"],"chemical_system":"Fe-O-Sr-Ti","density":5.011871020984148,"density_atomic":0.0815378817515425,"volume":613.2119074708992,"volume_molar":7.385696844995701,"formula_full":"Sr10 Ti8 Fe2 O30","formula_reduced":"Sr5Ti4FeO15","formula_anonymous":"AB4C5D15","energy":-409.13847196,"energy_per_atom":-8.1827694392,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-384.01647196,"band_gap":0.2471000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.59e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:44.055000Z","spacegroup":12},{"id":"mp-696127","created_at":"2022-09-04T14:48:15.028988Z","structure_string":"Li20 Ge2 P4 Se24\n1.0\n9.287435 0.000000 0.000000\n0.000000 9.287435 0.000000\n0.000000 0.000000 13.368956\nLi Ge P Se\n20 2 4 24\ndirect\n0.230281 0.273591 0.294890 Li\n0.769719 0.726409 0.294890 Li\n0.273591 0.769719 0.794890 Li\n0.726409 0.230281 0.794890 Li\n0.230281 0.726409 0.294890 Li\n0.769719 0.273591 0.294890 Li\n0.273591 0.230281 0.794890 Li\n0.726409 0.769719 0.794890 Li\n0.000000 0.000000 0.941117 Li\n0.000000 0.000000 0.441117 Li\n0.500000 0.500000 0.546868 Li\n0.500000 0.500000 0.046868 Li\n0.258940 0.726181 0.035718 Li\n0.741060 0.273819 0.035718 Li\n0.273819 0.258940 0.535718 Li\n0.726181 0.741060 0.535718 Li\n0.273819 0.741060 0.535718 Li\n0.726181 0.258940 0.535718 Li\n0.258940 0.273819 0.035718 Li\n0.741060 0.726181 0.035718 Li\n0.500000 0.500000 0.801220 Ge\n0.500000 0.500000 0.301220 Ge\n0.000000 0.000000 0.685374 P\n0.000000 0.000000 0.185374 P\n0.000000 0.500000 0.503824 P\n0.500000 0.000000 0.003824 P\n0.000000 0.699485 0.409448 Se\n0.000000 0.300515 0.409448 Se\n0.300515 0.000000 0.909448 Se\n0.699485 0.000000 0.909448 Se\n0.500000 0.193948 0.101292 Se\n0.500000 0.806052 0.101292 Se\n0.193948 0.500000 0.601292 Se\n0.806052 0.500000 0.601292 Se\n0.000000 0.798289 0.092834 Se\n0.000000 0.201711 0.092834 Se\n0.201711 0.000000 0.592834 Se\n0.798289 0.000000 0.592834 Se\n0.500000 0.285498 0.402976 Se\n0.500000 0.714502 0.402976 Se\n0.285498 0.500000 0.902976 Se\n0.714502 0.500000 0.902976 Se\n0.000000 0.197320 0.779199 Se\n0.000000 0.802680 0.779199 Se\n0.802680 0.000000 0.279199 Se\n0.197320 0.000000 0.279199 Se\n0.500000 0.709756 0.697435 Se\n0.500000 0.290244 0.697435 Se\n0.709756 0.500000 0.197435 Se\n0.290244 0.500000 0.197435 Se\n","nsites":50,"nelements":4,"elements":["Li","Ge","P","Se"],"chemical_system":"Ge-Li-P-Se","density":3.3163516601526757,"density_atomic":0.043359167571818985,"volume":1153.1586697826085,"volume_molar":13.888967656090454,"formula_full":"Li20 Ge2 P4 Se24","formula_reduced":"Li10Ge(PSe6)2","formula_anonymous":"AB2C10D12","energy":-204.91208069,"energy_per_atom":-4.0982416138,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.58408069,"band_gap":1.0491,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001052,"is_theoretical":true,"updated_at":"2021-11-28T01:40:06.548000Z","spacegroup":105},{"id":"mp-721713","created_at":"2022-09-04T14:48:12.372631Z","structure_string":"H24 Pd2 I16 N8\n1.0\n8.696905 0.000000 0.000000\n0.000000 9.635081 0.000000\n0.000000 2.515791 12.979606\nH Pd I N\n24 2 16 8\ndirect\n0.504918 0.737852 0.170331 H\n0.004918 0.262148 0.829669 H\n0.495082 0.262148 0.829669 H\n0.995082 0.737852 0.170331 H\n0.527831 0.671058 0.295348 H\n0.027831 0.328942 0.704652 H\n0.472169 0.328942 0.704652 H\n0.972169 0.671058 0.295348 H\n0.624742 0.605246 0.206607 H\n0.124742 0.394754 0.793393 H\n0.375258 0.394754 0.793393 H\n0.875258 0.605246 0.206607 H\n0.605357 0.071653 0.281029 H\n0.105357 0.928347 0.718971 H\n0.394643 0.928347 0.718971 H\n0.894643 0.071653 0.281029 H\n0.525286 0.029652 0.177279 H\n0.025286 0.970348 0.822721 H\n0.474714 0.970348 0.822721 H\n0.974714 0.029652 0.177279 H\n0.484868 0.936855 0.292837 H\n0.984868 0.063145 0.707163 H\n0.515132 0.063145 0.707163 H\n0.015132 0.936855 0.292837 H\n0.750000 0.845710 0.236055 Pd\n0.250000 0.154290 0.763945 Pd\n0.750000 0.210662 0.592911 I\n0.250000 0.789338 0.407089 I\n0.750000 0.895080 0.554421 I\n0.250000 0.104920 0.445579 I\n0.750000 0.609126 0.528856 I\n0.250000 0.390874 0.471144 I\n0.750000 0.081608 0.955443 I\n0.250000 0.918392 0.044557 I\n0.750000 0.792303 0.910217 I\n0.250000 0.207697 0.089783 I\n0.750000 0.501163 0.868659 I\n0.250000 0.498837 0.131341 I\n0.750000 0.388852 0.117434 I\n0.250000 0.611148 0.882566 I\n0.750000 0.307545 0.337384 I\n0.250000 0.692455 0.662616 I\n0.583544 0.697230 0.225643 N\n0.083544 0.302770 0.774357 N\n0.416456 0.302770 0.774357 N\n0.916456 0.697230 0.225643 N\n0.572374 0.987650 0.247567 N\n0.072374 0.012350 0.752433 N\n0.427626 0.012350 0.752433 N\n0.927626 0.987650 0.247567 N\n","nsites":50,"nelements":4,"elements":["H","Pd","I","N"],"chemical_system":"H-I-N-Pd","density":3.6329829799584847,"density_atomic":0.045971470799025256,"volume":1087.631070552134,"volume_molar":13.099734803628882,"formula_full":"H24 Pd2 I16 N8","formula_reduced":"H12Pd(I2N)4","formula_anonymous":"AB4C8D12","energy":-207.31539680000003,"energy_per_atom":-4.146307936,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.3633968,"band_gap":1.2455999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0194625,"is_theoretical":false,"updated_at":"2021-11-28T01:38:42.164000Z","spacegroup":11},{"id":"mp-818418","created_at":"2022-09-04T14:48:06.004756Z","structure_string":"Na1 Al6 Fe3 Si6 B3 O31\n1.0\n5.227301 -8.007486 0.000000\n5.227301 8.007486 0.000000\n-7.039036 0.000000 6.472749\nNa Al Fe Si B O\n1 6 3 6 3 31\ndirect\n0.219552 0.219552 0.219552 Na\n0.904864 0.566391 0.348932 Al\n0.348932 0.904864 0.566391 Al\n0.566391 0.348932 0.904864 Al\n0.348932 0.566391 0.904864 Al\n0.904864 0.348932 0.566391 Al\n0.566391 0.904864 0.348932 Al\n0.760235 0.565987 0.565987 Fe\n0.565987 0.760235 0.565987 Fe\n0.565987 0.565987 0.760235 Fe\n0.193291 0.000361 0.809744 Si\n0.809744 0.193291 0.000361 Si\n0.000361 0.809744 0.193291 Si\n0.809744 0.000361 0.193291 Si\n0.193291 0.809744 0.000361 Si\n0.000361 0.193291 0.809744 Si\n0.565379 0.565379 0.231443 B\n0.231443 0.565379 0.565379 B\n0.565379 0.231443 0.565379 B\n0.756130 0.756130 0.756130 O\n0.544288 0.544288 0.359070 O\n0.359070 0.544288 0.544288 O\n0.544288 0.359070 0.544288 O\n0.790569 0.398750 0.398750 O\n0.398750 0.790569 0.398750 O\n0.398750 0.398750 0.790569 O\n0.169787 0.169787 0.889884 O\n0.889884 0.169788 0.169788 O\n0.169787 0.889884 0.169787 O\n0.266760 0.991134 0.991134 O\n0.991134 0.266760 0.991134 O\n0.991134 0.991134 0.266760 O\n0.972679 0.774109 0.588642 O\n0.588642 0.972679 0.774109 O\n0.774109 0.588642 0.972679 O\n0.588642 0.774109 0.972679 O\n0.972679 0.588642 0.774109 O\n0.774109 0.972679 0.588642 O\n0.364091 0.079253 0.791174 O\n0.791174 0.364091 0.079253 O\n0.079253 0.791174 0.364091 O\n0.791174 0.079253 0.364091 O\n0.364091 0.791174 0.079253 O\n0.079253 0.364091 0.791174 O\n0.652734 0.503367 0.171158 O\n0.171158 0.652734 0.503367 O\n0.503367 0.171158 0.652734 O\n0.171158 0.503367 0.652734 O\n0.652734 0.171158 0.503367 O\n0.503367 0.652734 0.171158 O\n","nsites":50,"nelements":6,"elements":["Na","Al","Fe","Si","B","O"],"chemical_system":"Al-B-Fe-Na-O-Si","density":3.2156846082273858,"density_atomic":0.09227361724679331,"volume":541.8666948567858,"volume_molar":6.526395019167063,"formula_full":"Na1 Al6 Fe3 Si6 B3 O31","formula_reduced":"NaAl6Fe3Si6B3O31","formula_anonymous":"AB3C3D6E6F31","energy":-402.79850786,"energy_per_atom":-8.055970157199999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.73350786,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0234608,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.916000Z","spacegroup":160},{"id":"mp-1228869","created_at":"2022-09-04T14:48:06.318933Z","structure_string":"Ba10 Bi2 Pb8 O30\n1.0\n3.072617 21.922340 0.000000\n-3.072617 21.922340 0.000000\n0.000000 0.880625 6.158883\nBa Bi Pb O\n10 2 8 30\ndirect\n0.351279 0.351279 0.145000 Ba\n0.549628 0.549628 0.943498 Ba\n0.950333 0.950333 0.543003 Ba\n0.750063 0.750063 0.748325 Ba\n0.148754 0.148754 0.349593 Ba\n0.450372 0.450372 0.056502 Ba\n0.648721 0.648721 0.855000 Ba\n0.049667 0.049667 0.456997 Ba\n0.851246 0.851246 0.650407 Ba\n0.249937 0.249937 0.251675 Ba\n0.300022 0.300022 0.698828 Bi\n0.699978 0.699978 0.301172 Bi\n0.099642 0.099642 0.902179 Pb\n0.500000 0.500000 0.500000 Pb\n0.900358 0.900358 0.097821 Pb\n0.400559 0.400559 0.600972 Pb\n0.800363 0.800363 0.200388 Pb\n0.199637 0.199637 0.799612 Pb\n0.599441 0.599441 0.399028 Pb\n0.000000 0.000000 0.000000 Pb\n0.142274 0.641900 0.857329 O\n0.344032 0.843594 0.656148 O\n0.742145 0.242240 0.257942 O\n0.540116 0.044403 0.460501 O\n0.942236 0.445908 0.059735 O\n0.156406 0.655968 0.343852 O\n0.358100 0.857726 0.142671 O\n0.757760 0.257855 0.742058 O\n0.554092 0.057764 0.940265 O\n0.955597 0.459884 0.539499 O\n0.641900 0.142274 0.857329 O\n0.843594 0.344032 0.656148 O\n0.242240 0.742145 0.257942 O\n0.044403 0.540116 0.460501 O\n0.445908 0.942236 0.059735 O\n0.655968 0.156406 0.343852 O\n0.857726 0.358100 0.142671 O\n0.257855 0.757760 0.742058 O\n0.057764 0.554092 0.940265 O\n0.459884 0.955597 0.539499 O\n0.349177 0.349177 0.588609 O\n0.749752 0.749752 0.190447 O\n0.150297 0.150297 0.786986 O\n0.549884 0.549884 0.379445 O\n0.949998 0.949998 0.980152 O\n0.250248 0.250248 0.809553 O\n0.650823 0.650823 0.411391 O\n0.050002 0.050002 0.019848 O\n0.450116 0.450116 0.620555 O\n0.849703 0.849703 0.213014 O\n","nsites":50,"nelements":4,"elements":["Ba","Bi","Pb","O"],"chemical_system":"Ba-Bi-O-Pb","density":7.862907123552657,"density_atomic":0.060261885597100086,"volume":829.7118403212742,"volume_molar":9.993282985306713,"formula_full":"Ba10 Bi2 Pb8 O30","formula_reduced":"Ba5BiPb4O15","formula_anonymous":"AB4C5D15","energy":-312.12672245,"energy_per_atom":-6.242534449,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.51672245,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0414565,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.056000Z","spacegroup":12},{"id":"mp-776478","created_at":"2022-09-04T14:48:14.278140Z","structure_string":"Li2 V4 P8 H4 O32\n1.0\n4.889436 0.005118 0.014686\n0.009135 7.936032 0.031122\n1.191086 0.057957 14.282000\nLi V P H O\n2 4 8 4 32\ndirect\n0.972827 0.866003 0.425813 Li\n0.472859 0.866008 0.925826 Li\n0.995087 0.494338 0.502130 V\n0.745246 0.005993 0.243334 V\n0.495070 0.494437 0.002132 V\n0.245176 0.005949 0.743417 V\n0.991835 0.356873 0.135875 P\n0.491685 0.356734 0.635819 P\n0.254273 0.848250 0.116067 P\n0.754417 0.848155 0.616020 P\n0.241483 0.154477 0.380118 P\n0.741477 0.154484 0.880135 P\n0.511720 0.653336 0.366137 P\n0.011788 0.653257 0.866101 P\n0.281357 0.509388 0.256647 H\n0.781391 0.509404 0.756659 H\n0.467978 0.010373 0.492580 H\n0.967871 0.010362 0.992578 H\n0.725799 0.560268 0.422003 O\n0.225854 0.560157 0.921966 O\n0.874371 0.172261 0.163772 O\n0.374209 0.172191 0.663667 O\n0.988071 0.842789 0.184289 O\n0.488044 0.842757 0.684197 O\n0.042230 0.443985 0.224689 O\n0.542107 0.443930 0.724654 O\n0.023125 0.056036 0.329701 O\n0.523100 0.056089 0.829712 O\n0.148606 0.329820 0.409092 O\n0.648681 0.329837 0.909116 O\n0.215686 0.950283 0.028390 O\n0.715790 0.950299 0.528360 O\n0.243756 0.329247 0.064632 O\n0.743137 0.329223 0.564463 O\n0.242178 0.675630 0.430461 O\n0.742250 0.675560 0.930451 O\n0.278039 0.041084 0.467546 O\n0.778049 0.041108 0.967578 O\n0.358973 0.671596 0.092867 O\n0.859024 0.671419 0.592818 O\n0.472011 0.939871 0.174334 O\n0.971984 0.939790 0.674301 O\n0.470609 0.558822 0.275984 O\n0.970572 0.558810 0.775931 O\n0.511173 0.161402 0.314400 O\n0.011172 0.161365 0.814405 O\n0.641780 0.829726 0.340231 O\n0.141818 0.829721 0.840231 O\n0.764389 0.441343 0.081576 O\n0.264055 0.441223 0.581493 O\n","nsites":50,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.9415920704757452,"density_atomic":0.0902474383440964,"volume":554.0323461521364,"volume_molar":6.672921548242419,"formula_full":"Li2 V4 P8 H4 O32","formula_reduced":"LiV2P4(HO8)2","formula_anonymous":"AB2C2D4E16","energy":-375.50722824,"energy_per_atom":-7.5101445648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.72322824,"band_gap":0.651,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9922297,"is_theoretical":true,"updated_at":"2021-11-28T01:38:44.429000Z","spacegroup":1},{"id":"mp-582735","created_at":"2022-09-04T14:48:15.106851Z","structure_string":"Yb16 Cl34\n1.0\n3.283821 27.214966 0.000000\n-3.283821 27.214966 0.000000\n0.000000 0.745136 6.839635\nYb Cl\n16 34\ndirect\n0.991099 0.439607 0.362504 Yb\n0.252940 0.808165 0.428852 Yb\n0.684757 0.131516 0.038601 Yb\n0.623352 0.070316 0.687352 Yb\n0.747060 0.191835 0.571148 Yb\n0.808165 0.252940 0.928852 Yb\n0.560393 0.008901 0.137496 Yb\n0.008901 0.560393 0.637496 Yb\n0.929684 0.376648 0.812648 Yb\n0.315243 0.868484 0.961399 Yb\n0.376648 0.929684 0.312648 Yb\n0.191835 0.747060 0.071148 Yb\n0.070316 0.623352 0.187352 Yb\n0.439607 0.991099 0.862504 Yb\n0.868484 0.315243 0.461399 Yb\n0.131516 0.684757 0.538601 Yb\n0.673446 0.486368 0.817532 Cl\n0.579162 0.369325 0.923098 Cl\n0.933729 0.822651 0.860168 Cl\n0.996129 0.882413 0.804199 Cl\n0.882413 0.996129 0.304199 Cl\n0.765739 0.867152 0.426646 Cl\n0.226105 0.263642 0.610946 Cl\n0.867152 0.765739 0.926646 Cl\n0.420838 0.630675 0.076902 Cl\n0.719484 0.555764 0.491184 Cl\n0.242632 0.365374 0.307361 Cl\n0.326554 0.513632 0.182468 Cl\n0.757368 0.634626 0.692639 Cl\n0.003871 0.117587 0.195801 Cl\n0.263642 0.226105 0.110946 Cl\n0.630675 0.420838 0.576902 Cl\n0.117587 0.003871 0.695801 Cl\n0.555764 0.719484 0.991184 Cl\n0.365374 0.242632 0.807361 Cl\n0.058302 0.941698 0.750000 Cl\n0.634626 0.757368 0.192639 Cl\n0.486368 0.673446 0.317532 Cl\n0.444236 0.280516 0.008816 Cl\n0.132848 0.234261 0.073354 Cl\n0.513632 0.326554 0.682468 Cl\n0.773895 0.736358 0.389054 Cl\n0.369325 0.579162 0.423098 Cl\n0.736358 0.773895 0.889054 Cl\n0.822651 0.933729 0.360168 Cl\n0.234261 0.132848 0.573354 Cl\n0.941698 0.058302 0.250000 Cl\n0.280516 0.444236 0.508816 Cl\n0.066271 0.177349 0.139832 Cl\n0.177349 0.066271 0.639832 Cl\n","nsites":50,"nelements":2,"elements":["Yb","Cl"],"chemical_system":"Cl-Yb","density":5.3979810614048445,"density_atomic":0.04089967064116087,"volume":1222.503732088265,"volume_molar":14.72417910852172,"formula_full":"Yb16 Cl34","formula_reduced":"Yb8Cl17","formula_anonymous":"A8B17","energy":-224.55413541,"energy_per_atom":-4.4910827081999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.67813541,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.325578,"is_theoretical":false,"updated_at":"2021-11-28T01:38:42.191000Z","spacegroup":15},{"id":"mp-1202683","created_at":"2022-09-04T14:39:15.862297Z","structure_string":"Ca2 Al4 Si6 H12 O26\n1.0\n-0.074495 0.000000 6.608396\n9.413345 0.000000 3.101062\n-0.037247 9.516787 3.304198\nCa Al Si H O\n2 4 6 12 26\ndirect\n0.382878 0.439184 0.038156 Ca\n0.171034 0.939184 0.461844 Ca\n0.419172 0.565944 0.316094 Al\n0.485266 0.065944 0.183906 Al\n0.319689 0.403397 0.676899 Al\n0.746587 0.903397 0.823101 Al\n0.753115 0.499899 0.488376 Si\n0.991491 0.999899 0.011624 Si\n0.416502 0.801371 0.087253 Si\n0.253755 0.301371 0.412747 Si\n0.341997 0.165858 0.911323 Si\n0.003320 0.665858 0.588677 Si\n0.874583 0.556766 0.193767 H\n0.818350 0.056766 0.306233 H\n0.976076 0.657994 0.075269 H\n0.801345 0.157994 0.424731 H\n0.896314 0.312043 0.938438 H\n0.584753 0.812043 0.561562 H\n0.835359 0.467339 0.881179 H\n0.466539 0.967339 0.618821 H\n0.304380 0.716215 0.866005 H\n0.920386 0.216215 0.633995 H\n0.455198 0.584818 0.762799 H\n0.967997 0.084818 0.737201 H\n0.678284 0.534456 0.346374 O\n0.774659 0.034456 0.153626 O\n0.554967 0.469560 0.622328 O\n0.927295 0.969560 0.877672 O\n0.419692 0.643976 0.152199 O\n0.321892 0.143976 0.347801 O\n0.309973 0.323498 0.842349 O\n0.902322 0.823498 0.657651 O\n0.216274 0.680350 0.451495 O\n0.417769 0.180350 0.048505 O\n0.344307 0.293271 0.544600 O\n0.638908 0.793271 0.955400 O\n0.355463 0.409612 0.291432 O\n0.396895 0.909612 0.208568 O\n0.070735 0.541983 0.696550 O\n0.517285 0.041983 0.803450 O\n0.975528 0.361469 0.461616 O\n0.187143 0.861469 0.038384 O\n0.812014 0.638968 0.528161 O\n0.090176 0.138968 0.971839 O\n0.000661 0.559986 0.106603 O\n0.857265 0.059986 0.393397 O\n0.770740 0.391301 0.926718 O\n0.447458 0.891301 0.573282 O\n0.378509 0.615163 0.862406 O\n0.990915 0.115163 0.637594 O\n","nsites":50,"nelements":5,"elements":["Ca","Al","Si","H","O"],"chemical_system":"Al-Ca-H-O-Si","density":2.1927979644144338,"density_atomic":0.0841452881218378,"volume":594.2103368592989,"volume_molar":7.156836579227428,"formula_full":"Ca2 Al4 Si6 H12 O26","formula_reduced":"CaAl2Si3H6O13","formula_anonymous":"AB2C3D6E13","energy":-352.09954025,"energy_per_atom":-7.041990805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.23754025,"band_gap":4.8424,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0039031,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.502000Z","spacegroup":9}]}