{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=34","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=32","results":[{"id":"mp-561486","created_at":"2022-09-04T14:42:49.437829Z","structure_string":"Na2 Mg5 P4 O16\n1.0\n5.223121 0.000000 0.000000\n-1.658066 7.842355 0.000000\n-0.048567 -2.985029 7.654891\nNa Mg P O\n2 5 4 16\ndirect\n0.437119 0.962067 0.705380 Na\n0.562881 0.037933 0.294620 Na\n0.093776 0.254906 0.780433 Mg\n0.635470 0.408454 0.672018 Mg\n0.906224 0.745094 0.219567 Mg\n0.000000 0.000000 0.000000 Mg\n0.364530 0.591546 0.327982 Mg\n0.130776 0.212814 0.430005 P\n0.869224 0.787186 0.569995 P\n0.619637 0.301858 0.026943 P\n0.380363 0.698142 0.973057 P\n0.256510 0.829582 0.918057 O\n0.325330 0.186121 0.562461 O\n0.320423 0.216535 0.966709 O\n0.679577 0.783465 0.033291 O\n0.933276 0.969927 0.732965 O\n0.066724 0.030073 0.267035 O\n0.674670 0.813879 0.437539 O\n0.743490 0.170418 0.081943 O\n0.242386 0.673119 0.135582 O\n0.342617 0.507850 0.825953 O\n0.757614 0.326881 0.864418 O\n0.657383 0.492150 0.174047 O\n0.114987 0.752453 0.469926 O\n0.266692 0.368784 0.376453 O\n0.885013 0.247547 0.530074 O\n0.733308 0.631216 0.623547 O\n","nsites":27,"nelements":4,"elements":["Na","Mg","P","O"],"chemical_system":"Mg-Na-O-P","density":2.8988807507302146,"density_atomic":0.0861089252223146,"volume":313.55634657257474,"volume_molar":6.993631315745883,"formula_full":"Na2 Mg5 P4 O16","formula_reduced":"Na2Mg5(PO4)4","formula_anonymous":"A2B4C5D16","energy":-191.48283293,"energy_per_atom":-7.091956775185185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.49083293,"band_gap":4.8813,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001122,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.731000Z","spacegroup":2},{"id":"mp-1016821","created_at":"2022-09-04T14:42:49.456626Z","structure_string":"Ba1 Si1 O3\n1.0\n3.836937 0.000000 0.000000\n0.000000 3.836937 0.000000\n0.000000 0.000000 3.836937\nBa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ba","Si","O"],"chemical_system":"Ba-O-Si","density":6.273519937114947,"density_atomic":0.08851482173815213,"volume":56.48771473314591,"volume_molar":6.8035393866746094,"formula_full":"Ba1 Si1 O3","formula_reduced":"BaSiO3","formula_anonymous":"ABC3","energy":-36.40190069,"energy_per_atom":-7.280380138,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.34090069,"band_gap":0.9473000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005857,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.641000Z","spacegroup":221},{"id":"mp-1095229","created_at":"2022-09-04T14:42:49.495590Z","structure_string":"Y2 Nb2 O8\n1.0\n-2.629765 2.629765 5.583277\n2.629765 -2.629765 5.583277\n2.629765 2.629765 -5.583277\nY Nb O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.336445 0.408004 0.422445 O\n0.985559 0.914000 0.577555 O\n0.664000 0.586445 0.428440 O\n0.158004 0.235559 0.571560 O\n0.413555 0.841996 0.077555 O\n0.764441 0.336000 0.922445 O\n0.086000 0.663555 0.071560 O\n0.591996 0.014441 0.928440 O\n","nsites":12,"nelements":3,"elements":["Y","Nb","O"],"chemical_system":"Nb-O-Y","density":5.28561214262098,"density_atomic":0.0776959172136332,"volume":154.44827000374707,"volume_molar":7.750910184175421,"formula_full":"Y2 Nb2 O8","formula_reduced":"YNbO4","formula_anonymous":"ABC4","energy":-115.30452895,"energy_per_atom":-9.608710745833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.80852895,"band_gap":3.6489,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000656,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.633000Z","spacegroup":88},{"id":"mp-770614","created_at":"2022-09-04T14:42:49.408018Z","structure_string":"Tl4 Co4 O12\n1.0\n5.327076 0.000000 0.000000\n0.081622 5.409333 0.000000\n0.064855 0.069577 7.924190\nTl Co O\n4 4 12\ndirect\n0.981783 0.046434 0.747544 Tl\n0.514445 0.546313 0.747661 Tl\n0.485555 0.453687 0.252339 Tl\n0.018217 0.953566 0.252456 Tl\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.893400 0.541886 0.243764 O\n0.794758 0.794026 0.559053 O\n0.793719 0.795008 0.942705 O\n0.695958 0.286589 0.941765 O\n0.703441 0.292837 0.560262 O\n0.607287 0.041087 0.253205 O\n0.392713 0.958913 0.746795 O\n0.296559 0.707163 0.439738 O\n0.304042 0.713411 0.058235 O\n0.206281 0.204992 0.057295 O\n0.205242 0.205974 0.440947 O\n0.106600 0.458114 0.756236 O\n","nsites":20,"nelements":3,"elements":["Tl","Co","O"],"chemical_system":"Co-O-Tl","density":9.055683169260453,"density_atomic":0.08758757555934735,"volume":228.34288850076067,"volume_molar":6.875565080482831,"formula_full":"Tl4 Co4 O12","formula_reduced":"TlCoO3","formula_anonymous":"ABC3","energy":-118.66865474,"energy_per_atom":-5.9334327369999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.87265474,"band_gap":0.1429999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.999893,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.840000Z","spacegroup":2},{"id":"mp-771733","created_at":"2022-09-04T14:42:49.414974Z","structure_string":"Li3 Mg1 V8 O16\n1.0\n3.017322 5.183806 0.000000\n-3.017322 5.183806 0.000000\n0.000000 3.254890 9.794570\nLi Mg V O\n3 1 8 16\ndirect\n0.999417 0.999417 0.001293 Li\n0.628298 0.628298 0.122364 Li\n0.124670 0.124670 0.629018 Li\n0.814284 0.814284 0.563494 Mg\n0.561282 0.061351 0.307347 V\n0.311327 0.311327 0.066448 V\n0.500745 0.500745 0.496700 V\n0.062530 0.062530 0.310702 V\n0.061351 0.561282 0.307347 V\n0.053380 0.567454 0.814491 V\n0.567454 0.053380 0.814491 V\n0.563370 0.563370 0.814910 V\n0.415566 0.970947 0.185140 O\n0.423133 0.423133 0.178175 O\n0.196256 0.196256 0.417366 O\n0.970947 0.415566 0.185140 O\n0.928506 0.928506 0.204591 O\n0.169048 0.696946 0.433227 O\n0.696946 0.169048 0.433227 O\n0.697704 0.697704 0.433388 O\n0.919104 0.919104 0.707664 O\n0.928223 0.460870 0.706544 O\n0.701954 0.701954 0.922622 O\n0.460870 0.928223 0.706544 O\n0.653250 0.202772 0.927855 O\n0.427161 0.427161 0.698947 O\n0.202772 0.653250 0.927855 O\n0.210446 0.210446 0.933115 O\n","nsites":28,"nelements":4,"elements":["Li","Mg","V","O"],"chemical_system":"Li-Mg-O-V","density":3.8405671655684293,"density_atomic":0.09138444149101446,"volume":306.3978894345286,"volume_molar":6.5898972097916,"formula_full":"Li3 Mg1 V8 O16","formula_reduced":"Li3MgV8O16","formula_anonymous":"AB3C8D16","energy":-230.43862968,"energy_per_atom":-8.22995106,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.84662968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9999716,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.348000Z","spacegroup":8},{"id":"mp-777316","created_at":"2022-09-04T14:42:49.422551Z","structure_string":"Li8 Mn1 Ni7 P12 O48\n1.0\n8.694029 0.000000 0.000000\n0.006281 8.848260 0.000000\n0.017181 0.032328 12.316388\nLi Mn Ni P O\n8 1 7 12 48\ndirect\n0.782788 0.721120 0.812742 Li\n0.782962 0.776382 0.189535 Li\n0.715232 0.223884 0.685151 Li\n0.719936 0.276757 0.313735 Li\n0.280809 0.722922 0.685410 Li\n0.286989 0.783626 0.314796 Li\n0.219217 0.223504 0.813506 Li\n0.216859 0.278674 0.183230 Li\n0.246888 0.462146 0.388816 Mn\n0.746821 0.961717 0.386482 Ni\n0.748107 0.538180 0.614220 Ni\n0.753766 0.037485 0.883533 Ni\n0.753960 0.462770 0.115816 Ni\n0.247598 0.538357 0.885550 Ni\n0.246095 0.962057 0.113530 Ni\n0.251820 0.038853 0.616521 Ni\n0.965401 0.251392 0.499430 P\n0.537031 0.749800 0.002036 P\n0.462939 0.250781 0.999256 P\n0.042134 0.745547 0.499657 P\n0.894351 0.391054 0.851642 P\n0.894639 0.108611 0.147450 P\n0.601647 0.605162 0.353549 P\n0.605183 0.890310 0.647698 P\n0.394630 0.113517 0.355173 P\n0.392610 0.391624 0.642517 P\n0.106874 0.607191 0.153990 P\n0.105268 0.891261 0.851687 P\n0.947798 0.638416 0.569757 O\n0.943332 0.846725 0.426728 O\n0.927041 0.892677 0.842952 O\n0.929976 0.607091 0.159383 O\n0.857371 0.167191 0.420064 O\n0.852364 0.334389 0.576823 O\n0.849104 0.438977 0.967162 O\n0.848811 0.062448 0.031807 O\n0.836674 0.234444 0.819589 O\n0.835508 0.265000 0.178799 O\n0.831526 0.512735 0.772921 O\n0.830397 0.985749 0.225746 O\n0.666104 0.012748 0.726150 O\n0.665338 0.485569 0.274332 O\n0.649895 0.765209 0.320100 O\n0.664276 0.734177 0.679415 O\n0.653223 0.559974 0.466402 O\n0.651038 0.939304 0.532850 O\n0.649356 0.831602 0.922228 O\n0.652920 0.668298 0.078981 O\n0.571440 0.115269 0.344973 O\n0.569793 0.393839 0.651374 O\n0.559379 0.144007 0.930132 O\n0.559601 0.355821 0.069065 O\n0.441039 0.640279 0.934454 O\n0.441857 0.858907 0.070154 O\n0.420994 0.599677 0.343895 O\n0.427593 0.893177 0.657111 O\n0.350330 0.334097 0.921439 O\n0.350022 0.167121 0.077512 O\n0.346817 0.063991 0.469340 O\n0.346193 0.434801 0.525001 O\n0.334503 0.235630 0.676847 O\n0.332415 0.273977 0.324516 O\n0.328708 0.514202 0.719754 O\n0.328406 0.997123 0.274918 O\n0.166437 0.014799 0.773005 O\n0.172539 0.484908 0.235823 O\n0.165023 0.734305 0.820675 O\n0.168886 0.763649 0.182340 O\n0.156956 0.553203 0.040852 O\n0.149735 0.938730 0.966653 O\n0.153386 0.658358 0.419797 O\n0.149848 0.832111 0.576359 O\n0.072518 0.108039 0.155090 O\n0.072606 0.393833 0.844267 O\n0.060428 0.145232 0.568608 O\n0.057941 0.363506 0.427199 O\n","nsites":76,"nelements":5,"elements":["Li","Mn","Ni","P","O"],"chemical_system":"Li-Mn-Ni-O-P","density":2.911053466708377,"density_atomic":0.08021420254249764,"volume":947.463137338242,"volume_molar":7.507574181529087,"formula_full":"Li8 Mn1 Ni7 P12 O48","formula_reduced":"Li8MnNi7(PO4)12","formula_anonymous":"AB7C8D12E48","energy":-533.7807128000001,"energy_per_atom":-7.023430431578948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-481.3497128,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.0933665,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.702000Z","spacegroup":1},{"id":"mp-10912","created_at":"2022-09-04T14:42:49.425200Z","structure_string":"Ba2 Pr4 Fe2 S10\n1.0\n-3.972867 3.972867 6.765882\n3.972867 -3.972867 6.765882\n3.972867 3.972867 -6.765882\nBa Pr Fe S\n2 4 2 10\ndirect\n0.750000 0.750000 0.000000 Ba\n0.250000 0.250000 0.000000 Ba\n0.838077 0.661923 0.500000 Pr\n0.661923 0.161923 0.823846 Pr\n0.338077 0.838077 0.176154 Pr\n0.161923 0.338077 0.500000 Pr\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.988536 0.488536 0.204580 S\n0.716044 0.216044 0.204580 S\n0.011464 0.511464 0.795420 S\n0.511464 0.716044 0.500000 S\n0.216044 0.011464 0.500000 S\n0.488536 0.283956 0.500000 S\n0.783956 0.988536 0.500000 S\n0.283956 0.783956 0.795420 S\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n","nsites":18,"nelements":4,"elements":["Ba","Pr","Fe","S"],"chemical_system":"Ba-Fe-Pr-S","density":4.939396542461241,"density_atomic":0.042138594093951216,"volume":427.16185451910485,"volume_molar":14.291271195648285,"formula_full":"Ba2 Pr4 Fe2 S10","formula_reduced":"BaPr2FeS5","formula_anonymous":"ABC2D5","energy":-116.62216381,"energy_per_atom":-6.4790091005555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.59216381,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0002437,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.166000Z","spacegroup":140},{"id":"mp-1245235","created_at":"2022-09-04T14:42:49.431323Z","structure_string":"Cr28 Fe4 O48\n1.0\n9.969110 0.091030 0.668349\n0.124816 10.053709 0.374334\n0.688033 0.332675 10.597136\nCr Fe O\n28 4 48\ndirect\n0.349681 0.120680 0.301781 Cr\n0.966169 0.400932 0.203964 Cr\n0.429914 0.771685 0.270874 Cr\n0.800180 0.951562 0.036257 Cr\n0.681690 0.514967 0.092619 Cr\n0.629694 0.120000 0.576603 Cr\n0.167362 0.592128 0.242775 Cr\n0.372739 0.402966 0.716473 Cr\n0.142754 0.233655 0.833405 Cr\n0.647173 0.191144 0.825056 Cr\n0.855232 0.238854 0.991942 Cr\n0.375478 0.644051 0.968302 Cr\n0.026534 0.416453 0.655453 Cr\n0.522035 0.552080 0.430282 Cr\n0.920156 0.918178 0.499542 Cr\n0.069118 0.225675 0.403104 Cr\n0.669977 0.767879 0.927894 Cr\n0.750636 0.386500 0.584182 Cr\n0.782771 0.685081 0.279510 Cr\n0.918001 0.654782 0.771558 Cr\n0.656448 0.573547 0.758380 Cr\n0.936632 0.111719 0.714187 Cr\n0.582170 0.130475 0.117673 Cr\n0.121469 0.910998 0.907742 Cr\n0.091444 0.941596 0.192176 Cr\n0.670992 0.772731 0.534066 Cr\n0.217809 0.199972 0.077624 Cr\n0.248527 0.934359 0.504419 Cr\n0.233158 0.704395 0.728375 Fe\n0.406304 0.925519 0.967450 Fe\n0.452532 0.359218 0.975395 Fe\n0.731442 0.184402 0.322778 Fe\n0.714359 0.972362 0.514611 O\n0.548300 0.128022 0.296869 O\n0.984767 0.092900 0.535340 O\n0.641393 0.279799 0.481860 O\n0.140243 0.382521 0.271719 O\n0.242667 0.020626 0.014625 O\n0.832909 0.396284 0.087668 O\n0.646330 0.267276 0.984899 O\n0.824092 0.083843 0.883909 O\n0.835993 0.491817 0.700648 O\n0.752497 0.594317 0.914466 O\n0.756706 0.755206 0.723652 O\n0.041109 0.770706 0.830191 O\n0.427964 0.779953 0.087976 O\n0.048016 0.234159 0.012546 O\n0.325493 0.547741 0.821128 O\n0.124604 0.775551 0.244206 O\n0.583435 0.744334 0.379473 O\n0.310499 0.271951 0.897434 O\n0.077896 0.585222 0.673762 O\n0.336055 0.616850 0.315790 O\n0.338680 0.837626 0.608298 O\n0.101659 0.849287 0.489898 O\n0.776272 0.107193 0.133843 O\n0.102979 0.057691 0.783279 O\n0.986954 0.933016 0.057071 O\n0.529656 0.103641 0.726471 O\n0.739295 0.775577 0.103409 O\n0.155177 0.107727 0.251766 O\n0.960498 0.366090 0.516995 O\n0.650216 0.573440 0.562130 O\n0.350906 0.929177 0.339946 O\n0.956624 0.580257 0.241274 O\n0.198684 0.336862 0.674723 O\n0.667556 0.528118 0.274063 O\n0.591239 0.986780 0.982017 O\n0.912342 0.248455 0.311927 O\n0.572264 0.384831 0.757266 O\n0.838516 0.763456 0.425191 O\n0.397285 0.206413 0.127967 O\n0.530006 0.707118 0.844556 O\n0.255610 0.124411 0.468885 O\n0.504264 0.515164 0.050142 O\n0.398426 0.477214 0.548513 O\n0.762889 0.196715 0.662869 O\n0.226287 0.566476 0.081967 O\n0.962453 0.285640 0.789650 O\n0.294160 0.811144 0.887437 O\n","nsites":80,"nelements":3,"elements":["Cr","Fe","O"],"chemical_system":"Cr-Fe-O","density":3.8475824445491336,"density_atomic":0.07574464012888656,"volume":1056.1803431090643,"volume_molar":7.950583367684852,"formula_full":"Cr28 Fe4 O48","formula_reduced":"Cr7FeO12","formula_anonymous":"AB7C12","energy":-687.00227924,"energy_per_atom":-8.5875284905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-589.03027924,"band_gap":0.0124999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":99.9992285,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.761000Z","spacegroup":1},{"id":"mp-571643","created_at":"2022-09-04T14:42:49.438951Z","structure_string":"Yb22 Ge20\n1.0\n-5.459750 5.459750 8.613074\n5.459750 -5.459750 8.613074\n5.459750 5.459750 -8.613074\nYb Ge\n22 20\ndirect\n0.679819 0.320181 0.000000 Yb\n0.104830 0.422590 0.317761 Yb\n0.895170 0.212931 0.317761 Yb\n0.072653 0.321731 0.750922 Yb\n0.320181 0.679819 0.000000 Yb\n0.157329 0.157329 0.000000 Yb\n0.678269 0.429190 0.750922 Yb\n0.320181 0.320181 0.640362 Yb\n0.895170 0.577410 0.682239 Yb\n0.842671 0.842671 0.000000 Yb\n0.927347 0.678269 0.249078 Yb\n0.104830 0.787069 0.682239 Yb\n0.429190 0.678269 0.750922 Yb\n0.212931 0.895170 0.317761 Yb\n0.321731 0.570810 0.249078 Yb\n0.577410 0.895170 0.682239 Yb\n0.679819 0.679819 0.359638 Yb\n0.570810 0.321731 0.249078 Yb\n0.678269 0.927347 0.249078 Yb\n0.422590 0.104830 0.317761 Yb\n0.787069 0.104830 0.682239 Yb\n0.321731 0.072653 0.750922 Yb\n0.119374 0.500000 0.619374 Ge\n0.117563 0.882437 0.000000 Ge\n0.882437 0.117563 0.000000 Ge\n0.016652 0.603840 0.000000 Ge\n0.983348 0.983348 0.587188 Ge\n0.603840 0.016652 0.000000 Ge\n0.117563 0.117563 0.235126 Ge\n0.414603 0.414603 0.000000 Ge\n0.396160 0.983348 0.000000 Ge\n0.882437 0.882437 0.764874 Ge\n0.880626 0.500000 0.380626 Ge\n0.396160 0.396160 0.412812 Ge\n0.983348 0.396160 0.000000 Ge\n0.016652 0.016652 0.412812 Ge\n0.500000 0.119374 0.619374 Ge\n0.585397 0.585397 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.603840 0.603840 0.587188 Ge\n0.750000 0.250000 0.500000 Ge\n0.500000 0.880626 0.380626 Ge\n","nsites":42,"nelements":2,"elements":["Yb","Ge"],"chemical_system":"Ge-Yb","density":8.504420703525543,"density_atomic":0.04089644959801143,"volume":1026.9840148187882,"volume_molar":14.725338798830164,"formula_full":"Yb22 Ge20","formula_reduced":"Yb11Ge10","formula_anonymous":"A10B11","energy":-151.86999978,"energy_per_atom":-3.6159523757142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.86999978,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.6104274,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.516000Z","spacegroup":139},{"id":"mp-23024","created_at":"2022-09-04T14:42:49.446275Z","structure_string":"Sr2 Br2 F2\n1.0\n4.256561 0.000000 0.000000\n0.000000 4.256561 0.000000\n0.000000 0.000000 7.504809\nSr Br F\n2 2 2\ndirect\n0.000000 0.500000 0.815369 Sr\n0.500000 0.000000 0.184631 Sr\n0.500000 0.000000 0.647022 Br\n0.000000 0.500000 0.352978 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sr","Br","F"],"chemical_system":"Br-F-Sr","density":4.555674942012163,"density_atomic":0.04412593119604896,"volume":135.97446756063565,"volume_molar":13.647623056936697,"formula_full":"Sr2 Br2 F2","formula_reduced":"SrBrF","formula_anonymous":"ABC","energy":-30.84411317,"energy_per_atom":-5.140685528333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.85211317,"band_gap":5.0036,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.961000Z","spacegroup":129},{"id":"mp-1197913","created_at":"2022-09-04T14:42:49.447255Z","structure_string":"Ge2 Pb2 S12 O42\n1.0\n9.287307 0.000000 0.000000\n-4.528645 -8.412628 0.000000\n-0.628211 0.177975 -10.964689\nGe Pb S O\n2 2 12 42\ndirect\n0.021012 0.009911 0.747698 Ge\n0.978988 0.990089 0.252302 Ge\n0.322853 0.618038 0.625388 Pb\n0.677147 0.381962 0.374612 Pb\n0.804799 0.648094 0.679796 S\n0.195201 0.351906 0.320204 S\n0.361643 0.222858 0.652302 S\n0.638357 0.777142 0.347698 S\n0.302439 0.328620 0.878149 S\n0.697561 0.671380 0.121851 S\n0.073338 0.740585 0.862998 S\n0.926662 0.259415 0.137002 S\n0.899052 0.234715 0.623835 S\n0.100948 0.765285 0.376165 S\n0.687068 0.999633 0.789745 S\n0.312932 0.000367 0.210255 S\n0.081270 0.904805 0.871116 O\n0.918730 0.095195 0.128884 O\n0.917843 0.820883 0.648536 O\n0.082157 0.179117 0.351464 O\n0.212949 0.059528 0.661877 O\n0.787051 0.940472 0.338123 O\n0.416693 0.276969 0.795206 O\n0.583307 0.723031 0.204794 O\n0.787387 0.186973 0.741746 O\n0.212613 0.813027 0.258254 O\n0.878274 0.627106 0.813941 O\n0.121726 0.372894 0.186059 O\n0.828826 0.966198 0.829047 O\n0.171174 0.033802 0.170953 O\n0.954316 0.108776 0.618253 O\n0.045684 0.891224 0.381747 O\n0.318663 0.336200 0.594248 O\n0.681337 0.663800 0.405752 O\n0.128237 0.201263 0.842316 O\n0.871763 0.798737 0.157684 O\n0.175027 0.735113 0.770610 O\n0.824973 0.264887 0.229390 O\n0.325323 0.480952 0.834868 O\n0.674677 0.519048 0.165132 O\n0.798110 0.220329 0.515478 O\n0.201890 0.779671 0.484522 O\n0.826132 0.546241 0.595027 O\n0.173868 0.453759 0.404973 O\n0.352727 0.316236 0.000372 O\n0.647273 0.683764 0.999628 O\n0.080250 0.684475 0.982285 O\n0.919750 0.315525 0.017715 O\n0.591603 0.904298 0.684360 O\n0.408397 0.095702 0.315640 O\n0.608096 0.011839 0.892513 O\n0.391904 0.988161 0.107487 O\n0.493484 0.206649 0.605866 O\n0.506516 0.793351 0.394134 O\n0.029758 0.390458 0.657546 O\n0.970242 0.609542 0.342454 O\n0.641220 0.615961 0.700125 O\n0.358780 0.384039 0.299875 O\n","nsites":58,"nelements":4,"elements":["Ge","Pb","S","O"],"chemical_system":"Ge-O-Pb-S","density":3.133209858135009,"density_atomic":0.0677033547263457,"volume":856.6783763438862,"volume_molar":8.89489270412265,"formula_full":"Ge2 Pb2 S12 O42","formula_reduced":"GePb(S2O7)3","formula_anonymous":"ABC6D21","energy":-375.63372831,"energy_per_atom":-6.476443591551724,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.77972831,"band_gap":3.9741,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005818,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.753000Z","spacegroup":2},{"id":"mp-1175775","created_at":"2022-09-04T14:42:48.300035Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.934196 0.000000 0.000000\n-1.653864 -6.232544 0.000000\n-1.887690 0.309682 -7.643477\nLi Mn Co O\n9 2 5 16\ndirect\n0.126365 0.619050 0.870770 Li\n0.746430 0.247876 0.747697 Li\n0.008237 0.492349 0.503672 Li\n0.621284 0.126225 0.379686 Li\n0.877490 0.376628 0.123647 Li\n0.497063 0.011679 0.992003 Li\n0.374369 0.879583 0.623215 Li\n0.249122 0.748178 0.256015 Li\n0.248133 0.251205 0.747753 Li\n0.005385 0.001161 0.997990 Mn\n0.618587 0.620380 0.873415 Mn\n0.872346 0.880357 0.625143 Co\n0.490350 0.498316 0.504087 Co\n0.123326 0.126537 0.382252 Co\n0.754907 0.747838 0.250915 Co\n0.380684 0.371358 0.120283 Co\n0.929729 0.699118 0.051114 O\n0.568926 0.331602 0.933154 O\n0.783235 0.578866 0.691913 O\n0.424635 0.198775 0.545486 O\n0.674031 0.450577 0.300830 O\n0.306177 0.069093 0.171831 O\n0.150767 0.941180 0.818828 O\n0.052737 0.820626 0.428799 O\n0.329320 0.572082 0.698521 O\n0.930842 0.167164 0.561205 O\n0.200346 0.424497 0.323804 O\n0.841846 0.044396 0.187007 O\n0.076753 0.302234 0.957380 O\n0.695825 0.931911 0.831091 O\n0.577073 0.797565 0.441930 O\n0.463686 0.671590 0.058563 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.246880804662698,"density_atomic":0.11319618116882955,"volume":282.69504915782204,"volume_molar":5.320091806823513,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.86011583,"energy_per_atom":-6.5268786196875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.34211583,"band_gap":0.5312000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0014187,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.696000Z","spacegroup":1}]}