{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=71","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=69","results":[{"id":"mp-1204321","created_at":"2022-09-04T14:42:47.365324Z","structure_string":"K8 Ca4 V16 H56 O76\n1.0\n8.081357 0.000000 0.000000\n0.000000 14.897720 0.000000\n-5.860176 0.000000 15.468355\nK Ca V H O\n8 4 16 56 76\ndirect\n0.358580 0.317343 0.702560 K\n0.358580 0.182657 0.202560 K\n0.641420 0.682657 0.297440 K\n0.641420 0.817343 0.797440 K\n0.343494 0.061110 0.697276 K\n0.343494 0.438890 0.197276 K\n0.656506 0.938890 0.302724 K\n0.656506 0.561110 0.802724 K\n0.884463 0.184547 0.781109 Ca\n0.884463 0.315453 0.281109 Ca\n0.115537 0.815453 0.218891 Ca\n0.115537 0.684547 0.718891 Ca\n0.614528 0.438701 0.578506 V\n0.614528 0.061299 0.078506 V\n0.385472 0.561299 0.421494 V\n0.385472 0.938701 0.921494 V\n0.614513 0.186851 0.578654 V\n0.614513 0.313149 0.078654 V\n0.385487 0.813149 0.421346 V\n0.385487 0.686851 0.921346 V\n0.380245 0.063097 0.425066 V\n0.380245 0.436903 0.925066 V\n0.619755 0.936903 0.574934 V\n0.619755 0.563097 0.074934 V\n0.372698 0.313083 0.430626 V\n0.372698 0.186917 0.930626 V\n0.627302 0.686917 0.569374 V\n0.627302 0.813083 0.069374 V\n0.950112 0.355670 0.699000 H\n0.950112 0.144330 0.199000 H\n0.049888 0.644330 0.301000 H\n0.049888 0.855670 0.801000 H\n0.066094 0.360966 0.799240 H\n0.066094 0.139034 0.299240 H\n0.933906 0.639034 0.200760 H\n0.933906 0.860966 0.700760 H\n0.950300 0.013571 0.698138 H\n0.950300 0.486429 0.198138 H\n0.049700 0.986429 0.301862 H\n0.049700 0.513571 0.801862 H\n0.067150 0.008952 0.798316 H\n0.067150 0.491048 0.298316 H\n0.932850 0.991048 0.201684 H\n0.932850 0.508952 0.701684 H\n0.788400 0.025905 0.885505 H\n0.788400 0.474095 0.385505 H\n0.211600 0.974095 0.114495 H\n0.211600 0.525905 0.614495 H\n0.646961 0.105413 0.863634 H\n0.646961 0.394587 0.363634 H\n0.353039 0.894587 0.136366 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H\n0.415114 0.437881 0.463129 O\n0.415114 0.062119 0.963129 O\n0.584886 0.562119 0.536871 O\n0.584886 0.937881 0.036871 O\n0.554744 0.312573 0.549381 O\n0.554744 0.187427 0.049381 O\n0.445256 0.687427 0.450619 O\n0.445256 0.812573 0.950619 O\n0.840207 0.431051 0.611512 O\n0.840207 0.068949 0.111512 O\n0.159793 0.568949 0.388488 O\n0.159793 0.931051 0.888488 O\n0.563186 0.448438 0.666183 O\n0.563186 0.051562 0.166183 O\n0.436814 0.551562 0.333817 O\n0.436814 0.948438 0.833817 O\n0.416080 0.187227 0.463294 O\n0.416080 0.312773 0.963294 O\n0.583920 0.812773 0.536706 O\n0.583920 0.687227 0.036706 O\n0.834080 0.190772 0.604758 O\n0.834080 0.309228 0.104758 O\n0.165920 0.809228 0.395242 O\n0.165920 0.690772 0.895242 O\n0.573592 0.062362 0.542103 O\n0.573592 0.437638 0.042103 O\n0.426408 0.937638 0.457897 O\n0.426408 0.562362 0.957897 O\n0.585731 0.181589 0.674747 O\n0.585731 0.318411 0.174747 O\n0.414269 0.818411 0.325253 O\n0.414269 0.681589 0.825253 O\n0.436515 0.066370 0.338525 O\n0.436515 0.433630 0.838525 O\n0.563485 0.933630 0.661475 O\n0.563485 0.566370 0.161475 O\n0.152747 0.059750 0.389495 O\n0.152747 0.440250 0.889495 O\n0.847253 0.940250 0.610505 O\n0.847253 0.559750 0.110505 O\n0.150583 0.313565 0.404042 O\n0.150583 0.186435 0.904042 O\n0.849417 0.686435 0.595958 O\n0.849417 0.813565 0.095958 O\n0.433008 0.313398 0.342791 O\n0.433008 0.186602 0.842791 O\n0.566992 0.686602 0.657209 O\n0.566992 0.813398 0.157209 O\n0.019644 0.318825 0.749889 O\n0.019644 0.181175 0.249889 O\n0.980356 0.681175 0.250111 O\n0.980356 0.818825 0.750111 O\n0.019045 0.050985 0.748792 O\n0.019045 0.449015 0.248792 O\n0.980955 0.949015 0.251208 O\n0.980955 0.550985 0.751208 O\n0.756204 0.085397 0.856368 O\n0.756204 0.414603 0.356368 O\n0.243796 0.914603 0.143632 O\n0.243796 0.585397 0.643632 O\n0.737296 0.284382 0.846279 O\n0.737296 0.215618 0.346279 O\n0.262704 0.715618 0.153721 O\n0.262704 0.784382 0.653721 O\n0.144861 0.193252 0.577895 O\n0.144861 0.306748 0.077895 O\n0.855139 0.806748 0.422105 O\n0.855139 0.693252 0.922105 O\n0.134365 0.423100 0.568675 O\n0.134365 0.076900 0.068675 O\n0.865635 0.576900 0.431325 O\n0.865635 0.923100 0.931325 O\n0.138561 0.942175 0.573635 O\n0.138561 0.557825 0.073635 O\n0.861439 0.057825 0.426365 O\n0.861439 0.442175 0.926365 O\n","nsites":160,"nelements":5,"elements":["K","Ca","V","H","O"],"chemical_system":"Ca-H-K-O-V","density":2.283158531942565,"density_atomic":0.08591554553132451,"volume":1862.293942388628,"volume_molar":7.009372660974781,"formula_full":"K8 Ca4 V16 H56 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0.495646 Ca\n0.524079 0.625133 0.995267 Ca\n0.480486 0.376610 0.506906 Ca\n0.480869 0.875241 0.004346 Ca\n0.479810 0.873309 0.505939 Ca\n0.976094 0.376271 0.002304 Ca\n0.975497 0.376089 0.505356 Ca\n0.975615 0.873699 0.002493 Ca\n0.976123 0.873874 0.505018 Ca\n0.228876 0.377267 0.743343 Ca\n0.230758 0.874317 0.247410 Ca\n0.229087 0.872722 0.744342 Ca\n0.727452 0.374745 0.247078 Ca\n0.726678 0.375157 0.744419 Ca\n0.726315 0.875164 0.246076 Ca\n0.726367 0.874839 0.744772 Ca\n0.275384 0.124621 0.754693 Ca\n0.274607 0.625338 0.255405 Ca\n0.273398 0.625381 0.751707 Ca\n0.766690 0.124880 0.254142 Ca\n0.768426 0.125058 0.755300 Ca\n0.767909 0.625203 0.254427 Ca\n0.773044 0.624954 0.755659 Ca\n0.997233 0.998124 0.249508 Ti\n0.998686 0.998344 0.751831 Ti\n0.997082 0.500522 0.250650 Ti\n0.251403 0.998803 0.998383 Ti\n0.252304 0.997748 0.502819 Ti\n0.249162 0.501526 0.998017 Ti\n0.249888 0.249684 0.997191 Ti\n0.251710 0.251493 0.504247 Ti\n0.250666 0.750012 0.999295 Ti\n0.995841 0.251230 0.249901 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0.728423 0.397403 O\n0.396497 0.730344 0.892283 O\n0.885540 0.235257 0.391854 O\n0.891838 0.232581 0.897957 O\n0.891744 0.730618 0.397210 O\n0.896228 0.729560 0.897328 O\n0.139903 0.236290 0.360077 O\n0.143611 0.231537 0.852930 O\n0.146631 0.729989 0.356173 O\n0.142932 0.729635 0.852669 O\n0.646790 0.229543 0.353940 O\n0.646429 0.230151 0.853214 O\n0.646251 0.729557 0.353026 O\n0.646792 0.729212 0.852508 O\n0.362693 0.263246 0.141295 O\n0.357968 0.267888 0.648580 O\n0.357363 0.769255 0.146885 O\n0.354769 0.769967 0.646793 O\n0.852766 0.269690 0.141668 O\n0.853180 0.268516 0.642163 O\n0.852830 0.769667 0.143215 O\n0.853761 0.770962 0.647303 O\n0.361004 0.487682 0.142671 O\n0.354649 0.481265 0.647173 O\n0.359211 0.980014 0.145537 O\n0.357956 0.980633 0.648311 O\n0.853391 0.480755 0.142921 O\n0.853848 0.479068 0.647317 O\n0.852010 0.979914 0.142000 O\n0.853143 0.981427 0.642103 O\n0.141161 0.012785 0.358716 O\n0.143690 0.017551 0.853572 O\n0.145323 0.520934 0.357878 O\n0.142765 0.521165 0.851979 O\n0.646712 0.020057 0.352768 O\n0.647113 0.020495 0.852435 O\n0.646534 0.520855 0.354216 O\n0.646016 0.520126 0.853327 O\n0.399050 0.016640 0.394612 O\n0.398436 0.019309 0.892910 O\n0.396678 0.520958 0.397068 O\n0.395160 0.520807 0.889553 O\n0.886006 0.014046 0.391669 O\n0.891701 0.017280 0.898075 O\n0.891285 0.520041 0.397344 O\n0.896212 0.520535 0.897283 O\n0.104774 0.482198 0.104445 O\n0.103720 0.480342 0.603202 O\n0.106210 0.980383 0.104799 O\n0.106826 0.979602 0.606956 O\n0.608592 0.484496 0.107920 O\n0.604488 0.480635 0.602138 O\n0.603339 0.979002 0.102180 O\n0.602495 0.979272 0.602437 O\n0.001795 0.376451 0.285338 O\n0.008318 0.378163 0.785962 O\n0.007723 0.873584 0.285469 O\n0.008451 0.871794 0.786099 O\n0.510272 0.375423 0.288915 O\n0.511569 0.375408 0.779889 O\n0.511878 0.874708 0.291316 O\n0.511245 0.874616 0.790567 O\n0.498379 0.123753 0.211112 O\n0.490994 0.124600 0.709905 O\n0.490062 0.626345 0.211812 O\n0.490342 0.625362 0.708879 O\n0.991538 0.124645 0.216088 O\n0.989560 0.124897 0.723907 O\n0.991580 0.625324 0.214108 O\n0.987690 0.625008 0.708969 O\n0.239931 0.124169 0.025783 O\n0.247460 0.124734 0.534605 O\n0.239793 0.625909 0.035133 O\n0.240158 0.625281 0.540409 O\n0.739845 0.124271 0.040298 O\n0.740123 0.124857 0.540386 O\n0.740653 0.625726 0.039411 O\n0.738187 0.625171 0.541446 O\n0.260109 0.378453 0.474533 O\n0.253692 0.375434 0.964057 O\n0.260142 0.871342 0.464093 O\n0.259402 0.874593 0.962299 O\n0.759399 0.376056 0.461664 O\n0.757968 0.375234 0.960637 O\n0.759578 0.873932 0.461236 O\n0.759447 0.874775 0.959615 O\n","nsites":160,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.326079113646794,"density_atomic":0.08903384877524499,"volume":1797.069341615236,"volume_molar":6.763877831679673,"formula_full":"Sr4 Ca28 Ti12 Mn20 O96","formula_reduced":"SrCa7Ti3Mn5O24","formula_anonymous":"AB3C5D7E24","energy":-1277.1640192,"energy_per_atom":-7.98227512,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1177.8520192,"band_gap":0.5068000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":59.9999992,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.035000Z","spacegroup":1},{"id":"mp-686499","created_at":"2022-09-04T14:45:13.767069Z","structure_string":"Ba32 Sb7 Pb25 O96\n1.0\n8.670677 0.000160 0.001102\n0.001262 15.489139 7.746293\n0.002461 -0.014184 19.394129\nBa Sb Pb O\n32 7 25 96\ndirect\n0.250062 0.061859 0.125622 Ba\n0.248570 0.563414 0.123496 Ba\n0.249380 0.312410 0.624905 Ba\n0.248732 0.811469 0.626223 Ba\n0.249138 0.314548 0.124271 Ba\n0.249222 0.063036 0.624704 Ba\n0.249784 0.438735 0.374498 Ba\n0.251140 0.187732 0.375270 Ba\n0.251572 0.812771 0.125310 Ba\n0.247957 0.561459 0.625516 Ba\n0.250179 0.938007 0.375584 Ba\n0.250570 0.186599 0.876711 Ba\n0.248984 0.687995 0.375326 Ba\n0.250922 0.686977 0.875545 Ba\n0.252224 0.436625 0.874980 Ba\n0.249025 0.937214 0.875482 Ba\n0.750363 0.062447 0.125558 Ba\n0.751030 0.314065 0.124246 Ba\n0.750757 0.062862 0.625357 Ba\n0.749591 0.563825 0.124812 Ba\n0.750428 0.312980 0.624311 Ba\n0.751178 0.813409 0.124169 Ba\n0.751497 0.437829 0.375152 Ba\n0.750379 0.186777 0.875312 Ba\n0.751304 0.562091 0.625419 Ba\n0.750603 0.937147 0.375942 Ba\n0.749073 0.812425 0.625802 Ba\n0.749113 0.687045 0.875835 Ba\n0.750616 0.188428 0.373879 Ba\n0.750272 0.686777 0.375387 Ba\n0.752914 0.436692 0.876144 Ba\n0.747561 0.937747 0.875315 Ba\n0.000613 0.999445 0.000285 Sb\n0.500109 0.124869 0.250503 Sb\n0.499407 0.875249 0.749628 Sb\n0.000765 0.499909 0.000051 Sb\n0.000411 0.251503 0.500008 Sb\n0.000491 0.500046 0.500041 Sb\n-0.000020 0.748483 0.500571 Sb\n0.999123 0.874490 0.750373 Pb\n0.500616 0.625475 0.249743 Pb\n0.499829 0.374286 0.750522 Pb\n0.500525 0.249013 0.002227 Pb\n0.500007 0.373874 0.249944 Pb\n0.500749 0.876568 0.250624 Pb\n0.500150 -0.000056 0.000234 Pb\n0.498708 0.123174 0.750026 Pb\n0.500118 0.751033 0.998324 Pb\n0.500264 0.500173 0.000094 Pb\n0.500498 0.250664 0.499833 Pb\n0.499617 0.500203 0.499896 Pb\n0.500846 0.626071 0.750127 Pb\n0.499440 0.000237 0.500299 Pb\n0.500225 0.749614 0.500432 Pb\n0.000274 0.125392 0.250098 Pb\n0.000475 0.249750 0.000161 Pb\n-0.000046 0.375288 0.250002 Pb\n0.999839 0.749852 -0.000090 Pb\n0.000722 0.624714 0.250893 Pb\n0.999276 0.124218 0.750440 Pb\n0.999496 0.374997 0.748883 Pb\n0.000593 0.875186 0.250071 Pb\n0.000641 0.624490 0.750707 Pb\n0.999313 0.000199 0.500139 Pb\n0.002783 0.116459 0.001142 O\n0.999797 0.383032 0.999046 O\n0.999117 0.881455 0.001107 O\n0.000424 0.940818 0.117505 O\n0.000953 0.058033 0.882888 O\n0.999703 0.806319 0.383969 O\n0.249346 0.250886 0.000580 O\n0.249214 0.750542 0.996435 O\n0.249387 0.001231 0.499569 O\n0.231938 0.501018 0.499721 O\n0.248627 0.373127 0.249755 O\n0.247567 0.122077 0.748627 O\n0.249234 0.877156 0.250524 O\n0.249391 0.625955 0.748722 O\n0.265378 0.125467 0.251146 O\n0.247925 0.623208 0.251040 O\n0.246846 0.376663 0.748783 O\n0.264814 0.872723 0.751457 O\n0.235444 0.997878 0.000282 O\n0.235458 0.499350 0.000739 O\n0.233983 0.251002 0.501783 O\n0.233623 0.747539 0.499552 O\n0.501928 0.243048 0.248669 O\n0.500074 0.067521 0.367899 O\n0.496649 0.992520 0.749897 O\n0.501243 0.375394 0.000812 O\n0.498012 0.749651 0.252597 O\n0.497599 0.124433 0.000041 O\n0.499617 0.125834 0.499226 O\n0.499734 0.310502 0.375876 O\n0.501609 0.561191 0.376909 O\n0.499167 0.311399 0.876358 O\n0.500799 0.181635 0.132878 O\n0.499817 0.375557 0.499113 O\n0.499428 0.625258 0.998894 O\n0.500378 0.500341 0.749429 O\n0.503459 0.875895 0.999363 O\n0.504375 0.814538 0.376622 O\n0.496147 0.059531 0.875943 O\n0.501505 0.499353 0.250989 O\n0.499664 0.248634 0.750739 O\n0.499906 0.689573 0.124137 O\n0.500957 0.625653 0.498772 O\n0.498304 0.874844 0.501028 O\n0.497039 0.006909 0.251491 O\n0.502977 0.816319 0.867199 O\n0.496050 0.437167 0.622828 O\n0.500671 0.939052 0.124587 O\n0.499562 0.564157 0.875921 O\n0.500792 0.758306 0.748632 O\n0.498085 0.935387 0.632321 O\n0.499125 0.437876 0.124221 O\n0.502126 0.188013 0.623892 O\n0.502778 0.688711 0.624156 O\n0.765661 0.000884 0.999241 O\n0.765968 0.500033 0.000443 O\n0.766958 0.253537 0.499797 O\n0.766827 0.747065 0.500757 O\n0.734603 0.122445 0.250753 O\n0.752036 0.376551 0.746305 O\n0.753485 0.625638 0.251637 O\n0.734156 0.875973 0.748640 O\n0.751121 0.371984 0.250979 O\n0.750305 0.121633 0.751279 O\n0.752220 0.876606 0.248792 O\n0.752056 0.627196 0.750983 O\n0.751409 0.250167 0.001925 O\n0.750800 0.748754 0.999449 O\n0.768914 0.499636 0.499779 O\n0.749125 0.998225 0.500394 O\n0.000751 0.189038 0.125047 O\n0.998509 0.062439 0.375532 O\n0.998516 0.134376 0.498316 O\n0.996089 0.249565 0.251240 O\n0.001794 0.440061 0.117510 O\n0.002897 0.312041 0.383771 O\n0.996650 0.498195 0.252348 O\n0.002006 0.375579 0.500337 O\n0.001386 0.616825 0.000433 O\n-0.000023 0.686381 0.123563 O\n0.001047 0.558127 0.384514 O\n0.999354 0.623678 0.501074 O\n0.004714 0.749792 0.252122 O\n0.996994 0.999349 0.749661 O\n0.998350 0.192188 0.616534 O\n0.000641 0.249928 0.747491 O\n0.000278 0.441444 0.615425 O\n0.996148 0.309969 0.876245 O\n0.997534 0.501402 0.747807 O\n0.001429 0.688921 0.616889 O\n0.002413 0.558537 0.882819 O\n0.001135 0.000085 0.250819 O\n0.003008 0.751125 0.747874 O\n0.000243 0.866251 0.500991 O\n0.996453 0.810453 0.875321 O\n0.999900 0.938552 0.624678 O\n","nsites":160,"nelements":4,"elements":["Ba","Sb","Pb","O"],"chemical_system":"Ba-O-Pb-Sb","density":7.623771853348644,"density_atomic":0.061405971453273554,"volume":2605.6097837610287,"volume_molar":9.807093052151298,"formula_full":"Ba32 Sb7 Pb25 O96","formula_reduced":"Ba32Sb7Pb25O96","formula_anonymous":"A7B25C32D96","energy":-1014.0917018,"energy_per_atom":-6.33807313625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-948.1397018,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.322000Z","spacegroup":65},{"id":"mp-1247602","created_at":"2022-09-04T14:43:18.400453Z","structure_string":"Sr4 Ca28 Ti4 Mn28 O96\n1.0\n10.869111 0.000943 -0.002231\n0.001321 15.237402 -0.000925\n-0.002205 -0.000652 10.736634\nSr Ca Ti Mn O\n4 28 4 28 96\ndirect\n0.015410 0.124662 0.498199 Sr\n0.485280 0.376611 0.001797 Sr\n0.234452 0.377227 0.247301 Sr\n0.268157 0.124485 0.254892 Sr\n0.017947 0.124672 0.994386 Ca\n0.022952 0.625167 0.495614 Ca\n0.022758 0.625198 0.996210 Ca\n0.523175 0.124801 0.495837 Ca\n0.523899 0.124931 0.994890 Ca\n0.522923 0.625243 0.495267 Ca\n0.522782 0.625137 0.995768 Ca\n0.478438 0.374918 0.506288 Ca\n0.478862 0.873242 0.004119 Ca\n0.477746 0.875012 0.505502 Ca\n0.977415 0.375962 0.003596 Ca\n0.976566 0.375884 0.504802 Ca\n0.976809 0.873946 0.003815 Ca\n0.977109 0.874077 0.504360 Ca\n0.227047 0.375839 0.743677 Ca\n0.228612 0.872544 0.246099 Ca\n0.227261 0.874100 0.744739 Ca\n0.728845 0.375078 0.247036 Ca\n0.727656 0.374687 0.744708 Ca\n0.727511 0.874920 0.246013 Ca\n0.727314 0.875269 0.744864 Ca\n0.273618 0.124519 0.753862 Ca\n0.272770 0.625352 0.253540 Ca\n0.273359 0.625436 0.754426 Ca\n0.766344 0.124799 0.252948 Ca\n0.772270 0.125052 0.756062 Ca\n0.772648 0.625117 0.254410 Ca\n0.772539 0.624948 0.754811 Ca\n0.996974 0.997034 0.249543 Ti\n0.250472 0.997778 0.997690 Ti\n0.249168 0.250296 0.996603 Ti\n0.995898 0.252267 0.249896 Ti\n0.000055 0.999403 0.750604 Mn\n0.999443 0.502008 0.250855 Mn\n0.999643 0.500376 0.749733 Mn\n0.501184 0.998412 0.251569 Mn\n0.501739 0.000141 0.749827 Mn\n0.502025 0.502183 0.250897 Mn\n0.500485 0.500993 0.747940 Mn\n0.252228 0.998679 0.501725 Mn\n0.249408 0.502474 0.997021 Mn\n0.250125 0.501133 0.502327 Mn\n0.748413 0.998626 0.999483 Mn\n0.748105 0.999302 0.501257 Mn\n0.751939 0.501338 0.000865 Mn\n0.749916 0.500563 0.500448 Mn\n0.251647 0.250370 0.503395 Mn\n0.250243 0.748825 0.998390 Mn\n0.250577 0.749835 0.500377 Mn\n0.749946 0.250128 0.000011 Mn\n0.748043 0.250260 0.501518 Mn\n0.750289 0.750029 0.000129 Mn\n0.749827 0.749780 0.500110 Mn\n0.999845 0.250338 0.750493 Mn\n0.000432 0.748592 0.250676 Mn\n0.999740 0.749842 0.749885 Mn\n0.502500 0.249329 0.251940 Mn\n0.501406 0.248674 0.747958 Mn\n0.500287 0.750181 0.250443 Mn\n0.500656 0.750033 0.749929 Mn\n0.105242 0.266621 0.105095 O\n0.104514 0.271286 0.605992 O\n0.104654 0.770631 0.103281 O\n0.104027 0.770347 0.603009 O\n0.608987 0.266380 0.107353 O\n0.604088 0.269701 0.601973 O\n0.604249 0.770260 0.103282 O\n0.604007 0.770337 0.603017 O\n0.398361 0.232375 0.398723 O\n0.395498 0.230481 0.889209 O\n0.395964 0.729468 0.397013 O\n0.396562 0.729036 0.896648 O\n0.885843 0.235223 0.391763 O\n0.895717 0.230975 0.897748 O\n0.896052 0.728977 0.397322 O\n0.896148 0.729689 0.897093 O\n0.140839 0.237065 0.362122 O\n0.142775 0.231605 0.851780 O\n0.146549 0.729156 0.353124 O\n0.146036 0.729111 0.852554 O\n0.646013 0.229583 0.354737 O\n0.645835 0.230099 0.853187 O\n0.646221 0.729425 0.353105 O\n0.645984 0.729401 0.853021 O\n0.361750 0.263349 0.141260 O\n0.353850 0.269451 0.648536 O\n0.354887 0.770312 0.146389 O\n0.354159 0.770302 0.647097 O\n0.853695 0.269097 0.141666 O\n0.854546 0.270016 0.646314 O\n0.853748 0.770617 0.146688 O\n0.854022 0.770555 0.647090 O\n0.358088 0.487040 0.142693 O\n0.353880 0.481139 0.647522 O\n0.358146 0.980013 0.145568 O\n0.354090 0.979080 0.648200 O\n0.854334 0.479851 0.146434 O\n0.854013 0.479511 0.647053 O\n0.852984 0.980356 0.142046 O\n0.854499 0.979918 0.646313 O\n0.142184 0.011797 0.360496 O\n0.142941 0.017529 0.852500 O\n0.144618 0.522284 0.355114 O\n0.145587 0.521654 0.851737 O\n0.645870 0.019895 0.353609 O\n0.646631 0.020580 0.852364 O\n0.646320 0.521079 0.354330 O\n0.645109 0.519903 0.853928 O\n0.398992 0.018097 0.399213 O\n0.396757 0.018331 0.892080 O\n0.395307 0.520010 0.396717 O\n0.394764 0.522607 0.893594 O\n0.886274 0.014018 0.391652 O\n0.895660 0.018839 0.897829 O\n0.895372 0.521649 0.397569 O\n0.896121 0.520494 0.896974 O\n0.102164 0.482204 0.101768 O\n0.103378 0.480070 0.603682 O\n0.106742 0.981123 0.105928 O\n0.105177 0.978231 0.605312 O\n0.610074 0.484608 0.108775 O\n0.604380 0.480719 0.601990 O\n0.603258 0.978870 0.102008 O\n0.603671 0.979185 0.603005 O\n0.001109 0.378717 0.285127 O\n0.009884 0.375457 0.789260 O\n0.007343 0.871205 0.285161 O\n0.010156 0.874509 0.789555 O\n0.509620 0.375623 0.287707 O\n0.510670 0.375146 0.779009 O\n0.511240 0.874422 0.290373 O\n0.510522 0.874880 0.789635 O\n0.498137 0.123648 0.212055 O\n0.490865 0.124508 0.709361 O\n0.490446 0.626499 0.211652 O\n0.490302 0.625429 0.709538 O\n0.993020 0.124598 0.217829 O\n0.988026 0.124916 0.720185 O\n0.988991 0.625373 0.209980 O\n0.989362 0.625068 0.710340 O\n0.240406 0.124196 0.025246 O\n0.247189 0.124683 0.538373 O\n0.238928 0.625991 0.039223 O\n0.240042 0.625352 0.540243 O\n0.741247 0.124204 0.038398 O\n0.740780 0.124788 0.540336 O\n0.740541 0.625842 0.039030 O\n0.739708 0.625187 0.539918 O\n0.261259 0.375879 0.471095 O\n0.252715 0.377881 0.964686 O\n0.261241 0.874069 0.461072 O\n0.258674 0.872275 0.962948 O\n0.759321 0.375913 0.461948 O\n0.757806 0.375469 0.961017 O\n0.759559 0.874028 0.461369 O\n0.759526 0.874540 0.959787 O\n","nsites":160,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.424887277266685,"density_atomic":0.08998019036918718,"volume":1778.169165274298,"volume_molar":6.692740630233454,"formula_full":"Sr4 Ca28 Ti4 Mn28 O96","formula_reduced":"SrCa7TiMn7O24","formula_anonymous":"ABC7D7E24","energy":-1244.23106492,"energy_per_atom":-7.776444155750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1131.57506492,"band_gap":0.3636999999999997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":84.0000051,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.420000Z","spacegroup":1},{"id":"mp-1456","created_at":"2022-09-04T14:41:03.079581Z","structure_string":"Fe64 O96\n1.0\n8.525216 0.000000 0.000000\n0.000000 8.525216 0.000000\n0.000000 0.000000 25.593016\nFe O\n64 96\ndirect\n0.247385 0.513415 0.710799 Fe\n0.752615 0.486585 0.210799 Fe\n0.013415 0.252615 0.460799 Fe\n0.986585 0.747385 0.960799 Fe\n0.486585 0.752615 0.789201 Fe\n0.513415 0.247385 0.289201 Fe\n0.252615 0.013415 0.539201 Fe\n0.747385 0.986585 0.039201 Fe\n0.757371 0.498720 0.543965 Fe\n0.242629 0.501280 0.043965 Fe\n0.998720 0.742629 0.293965 Fe\n0.001280 0.257371 0.793965 Fe\n0.501280 0.242629 0.956035 Fe\n0.498720 0.757371 0.456035 Fe\n0.742629 0.998720 0.706035 Fe\n0.257371 0.001280 0.206035 Fe\n0.993514 0.741328 0.626199 Fe\n0.006486 0.258672 0.126199 Fe\n0.241328 0.506486 0.376199 Fe\n0.758672 0.493514 0.876199 Fe\n0.258672 0.006486 0.873801 Fe\n0.741328 0.993514 0.373801 Fe\n0.506486 0.241328 0.623801 Fe\n0.493514 0.758672 0.123801 Fe\n0.110403 0.889597 0.750000 Fe\n0.889597 0.110403 0.250000 Fe\n0.389597 0.389597 0.500000 Fe\n0.610403 0.610403 0.000000 Fe\n0.884542 0.121299 0.585941 Fe\n0.115458 0.878701 0.085941 Fe\n0.621299 0.615458 0.335941 Fe\n0.378701 0.384542 0.835941 Fe\n0.878701 0.115458 0.914059 Fe\n0.121299 0.884542 0.414059 Fe\n0.615458 0.621299 0.664059 Fe\n0.384542 0.378701 0.164059 Fe\n0.885506 0.368895 0.668678 Fe\n0.114494 0.631105 0.168678 Fe\n0.868895 0.614494 0.418678 Fe\n0.131105 0.385506 0.918678 Fe\n0.631105 0.114494 0.831322 Fe\n0.368895 0.885506 0.331322 Fe\n0.614494 0.868895 0.581322 Fe\n0.385506 0.131105 0.081322 Fe\n0.356707 0.876026 0.661975 Fe\n0.643293 0.123974 0.161975 Fe\n0.376026 0.143293 0.411975 Fe\n0.623974 0.856707 0.911975 Fe\n0.123974 0.643293 0.838025 Fe\n0.876026 0.356707 0.338025 Fe\n0.143293 0.376026 0.588025 Fe\n0.856707 0.623974 0.088025 Fe\n0.363373 0.130514 0.746377 Fe\n0.636627 0.869486 0.246377 Fe\n0.630514 0.136627 0.496377 Fe\n0.369486 0.863373 0.996377 Fe\n0.869486 0.636627 0.753623 Fe\n0.130514 0.363373 0.253623 Fe\n0.136627 0.630514 0.503623 Fe\n0.863373 0.369486 0.003623 Fe\n0.624437 0.375563 0.750000 Fe\n0.375563 0.624437 0.250000 Fe\n0.875563 0.875563 0.500000 Fe\n0.124437 0.124437 0.000000 Fe\n0.108998 0.640482 0.755196 O\n0.891002 0.359518 0.255196 O\n0.140482 0.391002 0.505196 O\n0.859518 0.608998 0.005196 O\n0.359518 0.891002 0.744804 O\n0.640482 0.108998 0.244804 O\n0.391002 0.140482 0.494804 O\n0.608998 0.859518 0.994804 O\n0.859463 0.611504 0.671611 O\n0.140537 0.388496 0.171611 O\n0.111504 0.640537 0.421611 O\n0.888496 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C\n0.264905 0.638831 0.493842 C\n0.361169 0.735095 0.006158 C\n0.944804 0.360192 0.422730 C\n0.639808 0.055196 0.077270 C\n0.055196 0.639808 0.577270 C\n0.360192 0.944804 0.922730 C\n0.745690 0.375018 0.197942 N\n0.624982 0.254310 0.302058 N\n0.254310 0.624982 0.802058 N\n0.375018 0.745690 0.697942 N\n0.743146 0.483296 0.152261 N\n0.516704 0.256854 0.347739 N\n0.256854 0.516704 0.847739 N\n0.483296 0.743146 0.652261 N\n0.992654 0.007346 0.250000 N\n0.007346 0.992654 0.750000 N\n0.166061 0.833939 0.250000 N\n0.833939 0.166061 0.750000 N\n0.908691 0.259736 0.452583 N\n0.740264 0.091309 0.047417 N\n0.091309 0.740264 0.547417 N\n0.259736 0.908691 0.952583 N\n0.614136 0.465568 0.367221 Cl\n0.534432 0.385864 0.132779 Cl\n0.385864 0.534432 0.632779 Cl\n0.465568 0.614136 0.867221 Cl\n0.914571 0.015898 0.409699 Cl\n0.984102 0.085429 0.090301 Cl\n0.085429 0.984102 0.590301 Cl\n0.015898 0.914571 0.909699 Cl\n0.043923 0.180800 0.286770 Cl\n0.819200 0.956077 0.213230 Cl\n0.956077 0.819200 0.713230 Cl\n0.180800 0.043923 0.786770 Cl\n0.426357 0.884309 0.410395 Cl\n0.115691 0.573643 0.089605 Cl\n0.573643 0.115691 0.589605 Cl\n0.884309 0.426357 0.910395 Cl\n0.657819 0.820123 0.273201 Cl\n0.179877 0.342181 0.226799 Cl\n0.342181 0.179877 0.726799 Cl\n0.820123 0.657819 0.773201 Cl\n0.425353 0.923525 0.130503 Cl\n0.076475 0.574647 0.369497 Cl\n0.574647 0.076475 0.869497 Cl\n0.923525 0.425353 0.630503 Cl\n0.199740 0.264969 0.028195 Cl\n0.735031 0.800260 0.471805 Cl\n0.800260 0.735031 0.971805 Cl\n0.264969 0.199740 0.528195 Cl\n","nsites":160,"nelements":5,"elements":["V","H","C","N","Cl"],"chemical_system":"C-Cl-H-N-V","density":1.8334347670639795,"density_atomic":0.09593101091763442,"volume":1667.8652551402245,"volume_molar":6.277574584479841,"formula_full":"V4 H84 C28 N16 Cl28","formula_reduced":"VH21C7N4Cl7","formula_anonymous":"AB4C7D7E21","energy":-825.60587569,"energy_per_atom":-5.1600367230624995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-802.63787569,"band_gap":3.9156,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0696516,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.500000Z","spacegroup":15}]}