{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=36","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=34","results":[{"id":"mp-1182914","created_at":"2022-09-04T14:44:17.696423Z","structure_string":"Al2 H28 C8 N2 O2 F8\n1.0\n7.941274 0.000000 0.000000\n2.798446 8.574169 0.000000\n1.985161 3.056513 8.742881\nAl H C N O F\n2 28 8 2 2 8\ndirect\n0.369174 0.580604 0.602287 Al\n0.630826 0.419396 0.397713 Al\n0.510575 0.999777 0.215894 H\n0.709487 0.569598 0.989473 H\n0.340759 0.166759 0.431015 H\n0.439671 0.824284 0.774324 H\n0.098317 0.191145 0.400471 H\n0.727144 0.697579 0.242454 H\n0.793717 0.980460 0.820344 H\n0.960481 0.788091 0.842587 H\n0.887637 0.550515 0.836826 H\n0.290513 0.430402 0.010527 H\n0.659241 0.833241 0.568985 H\n0.665130 0.562813 0.812193 H\n0.520971 0.175407 0.044100 H\n0.112363 0.449485 0.163174 H\n0.489425 0.000223 0.784106 H\n0.206283 0.019540 0.179656 H\n0.039519 0.211909 0.157413 H\n0.560329 0.175716 0.225676 H\n0.272856 0.302421 0.757546 H\n0.677358 0.138203 0.456285 H\n0.901683 0.808855 0.599529 H\n0.479029 0.824593 0.955900 H\n0.216108 0.191527 0.006413 H\n0.823674 0.224581 0.730694 H\n0.322642 0.861797 0.543715 H\n0.334870 0.437187 0.187807 H\n0.783892 0.808473 0.993587 H\n0.176326 0.775419 0.269306 H\n0.254257 0.397669 0.134729 C\n0.180098 0.154457 0.130404 C\n0.241566 0.165266 0.367372 C\n0.745743 0.602331 0.865271 C\n0.514055 0.865534 0.831693 C\n0.819902 0.845543 0.869596 C\n0.485945 0.134466 0.168307 C\n0.758434 0.834734 0.632628 C\n0.709244 0.789051 0.798530 N\n0.290756 0.210949 0.201470 N\n0.574027 0.231989 0.440126 O\n0.425973 0.768011 0.559874 O\n0.800559 0.769639 0.234581 F\n0.199441 0.230361 0.765419 F\n0.140682 0.647977 0.649890 F\n0.393287 0.404008 0.768939 F\n0.859318 0.352023 0.350110 F\n0.606713 0.595992 0.231061 F\n0.630309 0.487187 0.551464 F\n0.369691 0.512813 0.448536 F\n","nsites":50,"nelements":6,"elements":["Al","H","C","N","O","F"],"chemical_system":"Al-C-F-H-N-O","density":1.0886241110617991,"density_atomic":0.0839910899060013,"volume":595.3012403572515,"volume_molar":7.169975728067922,"formula_full":"Al2 H28 C8 N2 O2 F8","formula_reduced":"AlH14C4NOF4","formula_anonymous":"ABCD4E4F14","energy":-258.18373623,"energy_per_atom":-5.163674724600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-252.39173623,"band_gap":0.0434999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9949097,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.056000Z","spacegroup":2},{"id":"mp-1199471","created_at":"2022-09-04T14:44:26.756550Z","structure_string":"Ba2 Na2 Al2 Mo12 H52 O68\n1.0\n5.779407 12.005414 0.000000\n-5.779407 12.005414 0.000000\n0.000000 1.121566 11.266064\nBa Na Al Mo H O\n2 2 2 12 52 68\ndirect\n0.345200 0.654800 0.250000 Ba\n0.654800 0.345200 0.750000 Ba\n0.957518 0.042482 0.250000 Na\n0.042482 0.957518 0.750000 Na\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.966208 0.671607 0.220371 Mo\n0.328393 0.033792 0.279629 Mo\n0.033792 0.328393 0.779629 Mo\n0.671607 0.966208 0.720371 Mo\n0.832035 0.525281 0.248944 Mo\n0.474719 0.167965 0.251056 Mo\n0.167965 0.474719 0.751056 Mo\n0.525281 0.832035 0.748944 Mo\n0.865384 0.351008 0.029672 Mo\n0.648992 0.134616 0.470328 Mo\n0.134616 0.648992 0.970328 Mo\n0.351008 0.865384 0.529672 Mo\n0.809580 0.566857 0.873604 H\n0.433143 0.190420 0.626396 H\n0.190420 0.433143 0.126396 H\n0.566857 0.809580 0.373604 H\n0.221556 0.288815 0.930004 H\n0.711185 0.778444 0.569996 H\n0.778444 0.711185 0.069996 H\n0.288815 0.221556 0.430004 H\n0.928083 0.692569 0.849288 H\n0.307431 0.071917 0.650712 H\n0.071917 0.307431 0.150712 H\n0.692569 0.928083 0.349288 H\n0.214097 0.932254 0.152383 H\n0.067746 0.785903 0.347617 H\n0.785903 0.067746 0.847617 H\n0.932254 0.214097 0.652383 H\n0.148859 0.931725 0.045670 H\n0.068275 0.851141 0.454330 H\n0.851141 0.068275 0.954330 H\n0.931725 0.148859 0.545670 H\n0.566023 0.339691 0.194391 H\n0.660309 0.433977 0.305609 H\n0.433977 0.660309 0.805609 H\n0.339691 0.566023 0.694391 H\n0.509693 0.395920 0.069595 H\n0.604080 0.490307 0.430405 H\n0.490307 0.604080 0.930405 H\n0.395920 0.509693 0.569595 H\n0.253680 0.521020 0.459665 H\n0.478980 0.746320 0.040335 H\n0.746320 0.478980 0.540335 H\n0.521020 0.253680 0.959665 H\n0.391890 0.406973 0.413830 H\n0.593027 0.608110 0.086170 H\n0.608110 0.593027 0.586170 H\n0.406973 0.391890 0.913830 H\n0.775072 0.043511 0.127673 H\n0.956489 0.224928 0.372327 H\n0.224928 0.956489 0.872327 H\n0.043511 0.775072 0.627673 H\n0.907870 0.915634 0.088792 H\n0.084366 0.092130 0.411208 H\n0.092130 0.084366 0.911208 H\n0.915634 0.907870 0.588792 H\n0.581710 0.891556 0.099453 H\n0.108444 0.418290 0.400547 H\n0.418290 0.108444 0.900547 H\n0.891556 0.581710 0.599453 H\n0.607980 0.870537 0.962236 H\n0.129463 0.392020 0.537764 H\n0.392020 0.129463 0.037764 H\n0.870537 0.607980 0.462236 H\n0.890123 0.490458 0.909510 O\n0.509542 0.109877 0.590490 O\n0.109877 0.509542 0.090490 O\n0.490458 0.890123 0.409510 O\n0.135526 0.367511 0.899873 O\n0.632489 0.864474 0.600127 O\n0.864474 0.632489 0.100127 O\n0.367511 0.135526 0.399873 O\n0.005895 0.613277 0.886491 O\n0.386723 0.994105 0.613509 O\n0.994105 0.386723 0.113509 O\n0.613277 0.005895 0.386491 O\n0.980548 0.754337 0.075008 O\n0.245663 0.019452 0.424992 O\n0.019452 0.245663 0.924992 O\n0.754337 0.980548 0.575008 O\n0.822245 0.808694 0.277664 O\n0.191306 0.177755 0.222336 O\n0.177755 0.191306 0.722336 O\n0.808694 0.822245 0.777664 O\n0.087576 0.646662 0.298705 O\n0.353338 0.912424 0.201295 O\n0.912424 0.353338 0.701295 O\n0.646662 0.087576 0.798705 O\n0.961258 0.538463 0.305214 O\n0.461537 0.038742 0.194786 O\n0.038742 0.461537 0.694786 O\n0.538463 0.961258 0.805214 O\n0.693372 0.666717 0.305407 O\n0.333283 0.306628 0.194593 O\n0.306628 0.333283 0.694593 O\n0.666717 0.693372 0.805407 O\n0.866716 0.400573 0.349063 O\n0.599427 0.133284 0.150937 O\n0.133284 0.599427 0.650937 O\n0.400573 0.866716 0.849063 O\n0.752387 0.503809 0.126347 O\n0.496191 0.247613 0.373653 O\n0.247613 0.496191 0.873653 O\n0.503809 0.752387 0.626347 O\n0.895921 0.232056 0.133170 O\n0.767944 0.104079 0.366830 O\n0.104079 0.767944 0.866830 O\n0.232056 0.895921 0.633170 O\n0.751463 0.377095 0.939005 O\n0.622905 0.248537 0.560995 O\n0.248537 0.622905 0.060995 O\n0.377095 0.751463 0.439005 O\n0.160691 0.908776 0.132378 O\n0.091224 0.839309 0.367622 O\n0.839309 0.091224 0.867622 O\n0.908776 0.160691 0.632378 O\n0.522104 0.418578 0.145262 O\n0.581422 0.477896 0.354738 O\n0.477896 0.581422 0.854738 O\n0.418578 0.522104 0.645262 O\n0.337642 0.498354 0.435918 O\n0.501646 0.662358 0.064082 O\n0.662358 0.501646 0.564082 O\n0.498354 0.337642 0.935918 O\n0.863659 0.007684 0.100681 O\n0.992316 0.136341 0.399319 O\n0.136341 0.992316 0.899319 O\n0.007684 0.863659 0.600681 O\n0.631523 0.824792 0.040340 O\n0.175208 0.368477 0.459660 O\n0.368477 0.175208 0.959660 O\n0.824792 0.631523 0.540340 O\n","nsites":138,"nelements":6,"elements":["Ba","Na","Al","Mo","H","O"],"chemical_system":"Al-Ba-H-Mo-Na-O","density":2.8319600536603904,"density_atomic":0.08827067670746261,"volume":1563.3730831966438,"volume_molar":6.822357077829985,"formula_full":"Ba2 Na2 Al2 Mo12 H52 O68","formula_reduced":"BaNaAlMo6(H13O17)2","formula_anonymous":"ABCD6E26F34","energy":-889.9361129,"energy_per_atom":-6.448812412318841,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-804.7961129,"band_gap":3.4128,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0639711,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.509000Z","spacegroup":15},{"id":"mp-684698","created_at":"2022-09-04T14:45:07.733761Z","structure_string":"Sn2 As2 H22 C7 Cl2 O4\n1.0\n7.844036 0.000000 0.000000\n-1.357844 -8.152876 0.000000\n-2.460187 0.129938 -7.907736\nSn As H C Cl O\n2 2 22 7 2 4\ndirect\n0.067887 0.169113 0.481086 Sn\n0.910840 0.775059 0.417610 Sn\n0.821358 0.237100 0.054190 As\n0.297076 0.838515 0.653869 As\n0.572156 0.022928 0.108151 H\n0.683321 0.083913 0.602054 H\n0.890113 0.116989 0.957536 H\n0.422926 0.210795 0.661375 H\n0.419612 0.224996 0.443360 H\n0.776198 0.345805 0.895454 H\n0.480989 0.395035 0.107374 H\n0.883850 0.333600 0.673541 H\n0.228930 0.361243 0.120319 H\n0.378362 0.393100 0.549971 H\n0.568987 0.620146 0.443139 H\n0.861904 0.577416 0.792787 H\n0.853330 0.665060 0.770308 H\n0.196556 0.596952 0.424318 H\n0.553156 0.679664 0.877368 H\n0.174587 0.611803 0.017629 H\n0.684115 0.994389 0.590078 H\n0.540931 0.817531 0.332491 H\n0.083135 0.911304 0.933013 H\n0.333599 0.906201 0.487391 H\n0.504104 0.083614 0.891235 H\n0.155776 0.956514 0.164112 H\n0.572738 0.126154 0.021896 C\n0.895800 0.350276 0.543679 C\n0.358375 0.259382 0.537028 C\n0.632183 0.740109 0.410387 C\n0.141326 0.868575 0.062655 C\n0.151502 0.627699 0.533355 C\n0.182130 0.721524 0.090933 C\n0.365354 0.259174 0.078934 Cl\n0.623290 0.638176 0.032662 Cl\n0.941811 0.992732 0.300936 O\n0.786772 0.413598 0.430874 O\n0.119025 0.509030 0.635480 O\n0.096300 0.941083 0.636423 O\n","nsites":39,"nelements":6,"elements":["Sn","As","H","C","Cl","O"],"chemical_system":"As-C-Cl-H-O-Sn","density":2.0634503187496387,"density_atomic":0.07711911372007649,"volume":505.7112059347629,"volume_molar":7.8088822206371535,"formula_full":"Sn2 As2 H22 C7 Cl2 O4","formula_reduced":"Sn2As2H22C7(ClO2)2","formula_anonymous":"A2B2C2D4E7F22","energy":-181.24484047,"energy_per_atom":-4.647303601794873,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.26884047,"band_gap":0.2441999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9989323,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.392000Z","spacegroup":1},{"id":"mp-1198806","created_at":"2022-09-04T14:45:35.558442Z","structure_string":"Na2 Mo6 H58 C16 Br8 O16\n1.0\n11.724960 0.000000 0.000000\n5.777355 10.231923 0.000000\n1.104963 2.843119 12.749323\nNa Mo H C Br O\n2 6 58 16 8 16\ndirect\n0.848214 0.239826 0.354436 Na\n0.151786 0.760174 0.645564 Na\n0.316074 0.132576 0.102936 Mo\n0.683926 0.867424 0.897064 Mo\n0.519244 0.799826 0.112209 Mo\n0.480756 0.200174 0.887791 Mo\n0.648468 0.996854 0.114074 Mo\n0.351532 0.003146 0.885926 Mo\n0.132239 0.143031 0.318039 H\n0.867761 0.856969 0.681961 H\n0.712211 0.117504 0.285439 H\n0.287789 0.882496 0.714561 H\n0.866842 0.068121 0.565444 H\n0.133158 0.931879 0.434556 H\n0.009943 0.230813 0.172764 H\n0.990057 0.769187 0.827236 H\n0.670756 0.530295 0.296080 H\n0.329244 0.469705 0.703920 H\n0.085917 0.435027 0.106543 H\n0.914083 0.564973 0.893457 H\n0.031159 0.413240 0.236961 H\n0.968841 0.586760 0.763039 H\n0.195144 0.384619 0.215118 H\n0.804856 0.615381 0.784882 H\n0.516842 0.520695 0.114999 H\n0.483158 0.479305 0.885001 H\n0.494180 0.474689 0.251359 H\n0.505820 0.525311 0.748641 H\n0.371988 0.628163 0.174181 H\n0.628012 0.371837 0.825819 H\n0.947302 0.960010 0.144306 H\n0.052698 0.039990 0.855694 H\n0.956141 0.914585 0.283974 H\n0.043859 0.085415 0.716026 H\n0.936720 0.814591 0.210497 H\n0.063280 0.185409 0.789503 H\n0.182521 0.085282 0.536149 H\n0.817479 0.914718 0.463851 H\n0.239390 0.168084 0.429791 H\n0.760610 0.831916 0.570209 H\n0.076210 0.255966 0.474448 H\n0.923790 0.744034 0.525552 H\n0.483410 0.261381 0.333183 H\n0.516590 0.738619 0.666817 H\n0.578261 0.107847 0.425091 H\n0.421739 0.892153 0.574909 H\n0.561735 0.260416 0.444914 H\n0.438265 0.739584 0.555086 H\n0.682313 0.331475 0.563686 H\n0.317687 0.668525 0.436314 H\n0.720414 0.184987 0.663675 H\n0.279586 0.815013 0.336325 H\n0.813357 0.269589 0.657178 H\n0.186643 0.730411 0.342822 H\n0.831683 0.390585 0.051587 H\n0.168317 0.609415 0.948413 H\n0.916358 0.227177 0.022278 H\n0.083642 0.772823 0.977722 H\n0.766713 0.278200 0.090733 H\n0.233287 0.721800 0.909267 H\n0.776250 0.633535 0.347019 H\n0.223750 0.366465 0.652981 H\n0.691972 0.591975 0.456987 H\n0.308028 0.408025 0.543013 H\n0.863521 0.486101 0.446111 H\n0.136479 0.513899 0.553889 H\n0.116007 0.373366 0.186883 C\n0.883993 0.626634 0.813117 C\n0.478889 0.560164 0.186724 C\n0.521111 0.439836 0.813276 C\n0.907893 0.918557 0.213521 C\n0.092107 0.081443 0.786479 C\n0.153861 0.158247 0.460931 C\n0.846139 0.841753 0.539069 C\n0.572378 0.204120 0.385026 C\n0.427622 0.795880 0.614974 C\n0.762710 0.240160 0.610070 C\n0.237290 0.759840 0.389930 C\n0.857489 0.284651 0.080968 C\n0.142511 0.715349 0.919032 C\n0.769728 0.549991 0.401259 C\n0.230272 0.450009 0.598741 C\n0.232098 0.961845 0.086809 Br\n0.767902 0.038155 0.913191 Br\n0.465796 0.960491 0.271485 Br\n0.534204 0.039509 0.728515 Br\n0.440981 0.274275 0.094548 Br\n0.559019 0.725725 0.905452 Br\n0.202418 0.281970 0.915375 Br\n0.797582 0.718030 0.084625 Br\n0.156778 0.235844 0.189938 O\n0.843222 0.764156 0.810062 O\n0.543626 0.625777 0.212403 O\n0.456374 0.374223 0.787597 O\n0.769695 0.997565 0.218090 O\n0.230305 0.002435 0.781910 O\n0.107337 0.112343 0.388938 O\n0.892663 0.887657 0.611062 O\n0.687547 0.186194 0.328780 O\n0.312453 0.813806 0.671220 O\n0.852348 0.159995 0.540997 O\n0.147652 0.840005 0.459003 O\n0.925147 0.230507 0.181096 O\n0.074853 0.769493 0.818904 O\n0.748118 0.470022 0.346676 O\n0.251882 0.529978 0.653324 O\n","nsites":106,"nelements":6,"elements":["Na","Mo","H","C","Br","O"],"chemical_system":"Br-C-H-Mo-Na-O","density":1.9188732584129007,"density_atomic":0.06930269257161484,"volume":1529.522101763413,"volume_molar":8.689620181462564,"formula_full":"Na2 Mo6 H58 C16 Br8 O16","formula_reduced":"NaMo3H29C8(BrO2)4","formula_anonymous":"AB3C4D8E8F29","energy":-565.01824474,"energy_per_atom":-5.330360799433962,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-530.54224474,"band_gap":1.8284,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":22.1793976,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.246000Z","spacegroup":2},{"id":"mp-1197764","created_at":"2022-09-04T14:43:57.866622Z","structure_string":"Cr2 Co2 H30 N10 Cl2 O16\n1.0\n4.331079 -6.488182 0.000000\n4.331079 6.488182 0.000000\n0.000000 0.000000 10.268163\nCr Co H N Cl O\n2 2 30 10 2 16\ndirect\n0.354321 0.645679 0.751729 Cr\n0.645679 0.354321 0.251729 Cr\n0.624159 0.375841 0.765084 Co\n0.375841 0.624159 0.265084 Co\n0.822840 0.635873 0.624706 H\n0.177160 0.364127 0.124706 H\n0.635873 0.822840 0.124706 H\n0.364127 0.177160 0.624706 H\n0.914397 0.276089 0.826516 H\n0.085603 0.723911 0.326516 H\n0.276089 0.914397 0.326516 H\n0.723911 0.085603 0.826516 H\n0.769467 0.230533 0.949447 H\n0.230533 0.769467 0.449447 H\n0.893352 0.627258 0.884642 H\n0.106648 0.372742 0.384642 H\n0.627258 0.893352 0.384642 H\n0.372742 0.106648 0.884642 H\n0.719302 0.540756 0.987169 H\n0.280698 0.459244 0.487169 H\n0.540756 0.719302 0.487169 H\n0.459244 0.280698 0.987169 H\n0.810436 0.445110 0.547576 H\n0.189564 0.554890 0.047576 H\n0.445110 0.810436 0.047576 H\n0.554890 0.189564 0.547576 H\n0.955043 0.524691 0.672096 H\n0.044957 0.475309 0.172096 H\n0.524691 0.955043 0.172096 H\n0.475309 0.044957 0.672096 H\n0.713977 0.690963 0.873474 H\n0.286023 0.309037 0.373474 H\n0.690963 0.713977 0.373474 H\n0.309037 0.286023 0.873474 H\n0.751403 0.580065 0.891851 N\n0.248597 0.419935 0.391851 N\n0.580065 0.751403 0.391851 N\n0.419935 0.248597 0.891851 N\n0.775544 0.224456 0.849182 N\n0.224456 0.775544 0.349182 N\n0.824906 0.505838 0.638105 N\n0.175094 0.494162 0.138105 N\n0.505838 0.824906 0.138105 N\n0.494162 0.175094 0.638105 N\n0.953315 0.046685 0.574975 Cl\n0.046685 0.953315 0.074975 Cl\n0.959786 0.040214 0.985477 O\n0.040214 0.959786 0.485477 O\n0.476598 0.523402 0.689614 O\n0.523402 0.476598 0.189614 O\n0.856360 0.143640 0.500142 O\n0.143640 0.856360 0.000142 O\n0.727651 0.272349 0.127907 O\n0.272349 0.727651 0.627907 O\n0.181092 0.508176 0.843410 O\n0.818908 0.491824 0.343410 O\n0.508176 0.181092 0.343410 O\n0.491824 0.818908 0.843410 O\n0.095355 0.181706 0.656676 O\n0.904645 0.818294 0.156676 O\n0.181706 0.095355 0.156676 O\n0.818294 0.904645 0.656676 O\n","nsites":62,"nelements":6,"elements":["Cr","Co","H","N","Cl","O"],"chemical_system":"Cl-Co-Cr-H-N-O","density":2.0690570403092012,"density_atomic":0.10743599502762792,"volume":577.0877812790421,"volume_molar":5.605328789900781,"formula_full":"Cr2 Co2 H30 N10 Cl2 O16","formula_reduced":"CrCoH15N5ClO8","formula_anonymous":"ABCD5E8F15","energy":-347.10348474,"energy_per_atom":-5.598443302258064,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-325.22748474,"band_gap":2.3767,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.44e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.665000Z","spacegroup":36},{"id":"mp-696020","created_at":"2022-09-04T14:43:54.627742Z","structure_string":"Ca2 Re4 H12 C2 N4 O20\n1.0\n7.444324 0.000000 0.000000\n-2.383621 8.938823 0.000000\n-0.210759 -3.598416 8.586523\nCa Re H C N O\n2 4 12 2 4 20\ndirect\n0.418938 0.783898 0.516189 Ca\n0.581062 0.216102 0.483811 Ca\n0.162724 0.384506 0.639035 Re\n0.837276 0.615494 0.360965 Re\n0.283051 0.326712 0.171061 Re\n0.716949 0.673288 0.828939 Re\n0.156988 0.720120 0.014421 H\n0.843012 0.279880 0.985579 H\n0.373952 0.725960 0.092879 H\n0.626048 0.274040 0.907121 H\n0.981867 0.880785 0.170390 H\n0.018133 0.119215 0.829610 H\n0.074886 0.008688 0.363071 H\n0.925114 0.991312 0.636929 H\n0.149286 0.852666 0.769614 H\n0.850714 0.147334 0.230386 H\n0.343455 0.984377 0.839583 H\n0.656545 0.015623 0.160417 H\n0.245782 0.878658 0.244260 C\n0.754218 0.121342 0.755740 C\n0.261776 0.771039 0.104903 N\n0.738224 0.228961 0.895097 N\n0.087772 0.925556 0.258635 N\n0.912228 0.074444 0.741365 N\n0.271903 0.531960 0.568215 O\n0.728097 0.468040 0.431785 O\n0.266906 0.224770 0.575492 O\n0.733094 0.775230 0.424508 O\n0.923450 0.307225 0.565064 O\n0.076550 0.692775 0.434936 O\n0.187460 0.469622 0.842331 O\n0.812540 0.530378 0.157669 O\n0.374775 0.538904 0.256278 O\n0.625225 0.461096 0.743722 O\n0.379205 0.238199 0.278691 O\n0.620795 0.761801 0.721309 O\n0.036583 0.269312 0.163503 O\n0.963417 0.730688 0.836497 O\n0.336022 0.250392 0.980465 O\n0.663978 0.749608 0.019535 O\n0.267312 0.907172 0.741437 O\n0.732688 0.092828 0.258563 O\n0.376156 0.934597 0.359060 O\n0.623844 0.065403 0.640940 O\n","nsites":44,"nelements":6,"elements":["Ca","Re","H","C","N","O"],"chemical_system":"C-Ca-H-N-O-Re","density":3.5953104466966193,"density_atomic":0.07700691661453168,"volume":571.3772468030089,"volume_molar":7.820259562065864,"formula_full":"Ca2 Re4 H12 C2 N4 O20","formula_reduced":"CaRe2H6C(NO5)2","formula_anonymous":"ABC2D2E6F10","energy":-319.20653226,"energy_per_atom":-7.254693915000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.02253226,"band_gap":3.3871,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042436,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.353000Z","spacegroup":2},{"id":"mp-759865","created_at":"2022-09-04T14:43:58.569550Z","structure_string":"Li3 V3 Cr3 P6 H6 O30\n1.0\n5.203521 0.000000 0.000000\n-1.969107 7.095084 0.000000\n-0.974791 -0.754663 14.463600\nLi V Cr P H O\n3 3 3 6 6 30\ndirect\n0.258690 0.035288 0.186036 Li\n0.407070 0.631154 0.479887 Li\n0.741335 0.963909 0.813409 Li\n0.661176 0.659929 0.165483 V\n0.004457 0.005949 0.500220 V\n0.337763 0.339301 0.833491 V\n0.999840 0.000114 0.999796 Cr\n0.333145 0.333528 0.333070 Cr\n0.664206 0.664124 0.665920 Cr\n0.592637 0.264707 0.041498 P\n0.742625 0.061797 0.291459 P\n0.923515 0.604610 0.374764 P\n0.073392 0.400209 0.624970 P\n0.256390 0.936734 0.708343 P\n0.406933 0.734791 0.957963 P\n0.101106 0.747664 0.094670 H\n0.214656 0.567350 0.230368 H\n0.451414 0.099646 0.436369 H\n0.563458 0.917344 0.571237 H\n0.784101 0.431131 0.768881 H\n0.897890 0.252306 0.905171 H\n0.762118 0.128384 0.058643 O\n0.308887 0.182365 0.071928 O\n0.407339 0.684332 0.062328 O\n0.725367 0.451155 0.101808 O\n0.979802 0.826915 0.108069 O\n0.031109 0.137503 0.264632 O\n0.366674 0.510756 0.229397 O\n0.574631 0.202687 0.274700 O\n0.738340 0.012131 0.395792 O\n0.595145 0.885376 0.227807 O\n0.927873 0.654170 0.270671 O\n0.092279 0.464330 0.392030 O\n0.299049 0.155953 0.437035 O\n0.635470 0.528825 0.402002 O\n0.070830 0.781343 0.438627 O\n0.938940 0.214529 0.564609 O\n0.356289 0.483147 0.593740 O\n0.685032 0.838125 0.557820 O\n0.907283 0.539300 0.609281 O\n0.076266 0.347948 0.728813 O\n0.402181 0.113847 0.771975 O\n0.263973 0.984495 0.603771 O\n0.426647 0.797768 0.726346 O\n0.631722 0.487304 0.769638 O\n0.966705 0.862191 0.733992 O\n0.018951 0.172997 0.891513 O\n0.274504 0.548639 0.897889 O\n0.592150 0.314998 0.937393 O\n0.691096 0.817448 0.928005 O\n0.237852 0.871556 0.941399 O\n","nsites":51,"nelements":6,"elements":["Li","V","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P-V","density":3.1143847900215302,"density_atomic":0.09550781738853428,"volume":533.9877027293742,"volume_molar":6.3053904116575055,"formula_full":"Li3 V3 Cr3 P6 H6 O30","formula_reduced":"LiVCrP2(HO5)2","formula_anonymous":"ABCD2E2F10","energy":-385.83378764,"energy_per_atom":-7.56536838509804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-354.12678764,"band_gap":1.2776,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.580000Z","spacegroup":1},{"id":"mp-1235824","created_at":"2022-09-04T14:43:53.759258Z","structure_string":"Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.965202 -0.170283 -0.005713\n-0.174789 6.071790 0.011614\n0.001382 0.013248 7.872648\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.205119 0.653149 0.282246 Li\n0.500905 0.433208 0.748031 La\n0.009665 0.084997 0.256358 La\n0.949412 0.536417 0.525665 Co\n0.500289 0.942620 0.997368 Co\n0.001908 0.516983 0.986970 Sb\n0.493282 0.988106 0.500836 Sb\n0.553129 0.430594 0.240235 Pb\n0.995038 0.980932 0.747996 Pb\n0.587999 0.024929 0.244526 O\n0.111381 0.543151 0.750770 O\n0.426105 0.022631 0.753274 O\n0.948924 0.474174 0.246545 O\n0.186053 0.842234 0.455927 O\n0.728899 0.699810 0.941402 O\n0.777058 0.188767 0.533103 O\n0.250022 0.305915 0.028363 O\n0.320737 0.266575 0.466274 O\n0.782013 0.254092 0.956363 O\n0.638287 0.704269 0.531656 O\n0.188535 0.793947 0.064424 O\n","nsites":21,"nelements":6,"elements":["Li","La","Co","Sb","Pb","O"],"chemical_system":"Co-La-Li-O-Pb-Sb","density":7.300174410446861,"density_atomic":0.07370804713145333,"volume":284.90783323221024,"volume_molar":8.170262263576076,"formula_full":"Li1 La2 Co2 Sb2 Pb2 O12","formula_reduced":"LiLa2Co2Sb2(PbO6)2","formula_anonymous":"AB2C2D2E2F12","energy":-144.26901915000002,"energy_per_atom":-6.869953292857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.74901915,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9911841,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.571000Z","spacegroup":1},{"id":"mp-1234197","created_at":"2022-09-04T14:42:03.693510Z","structure_string":"Mg1 Zn3 Cu2 H14 S2 O18\n1.0\n5.436524 0.206594 -0.394246\n0.230548 6.457981 -0.824996\n-0.762835 -0.519283 11.995739\nMg Zn Cu H S O\n1 3 2 14 2 18\ndirect\n0.482108 0.748308 0.689821 Mg\n0.005782 0.003691 0.013468 Zn\n0.650538 0.835760 0.446661 Zn\n0.566100 0.344961 0.468058 Zn\n0.108077 0.017413 0.505200 Cu\n0.064721 0.526183 0.504012 Cu\n0.762090 0.346888 0.057734 H\n0.167474 0.615163 0.957249 H\n0.598391 0.236587 0.942254 H\n0.350339 0.719718 0.069338 H\n0.723470 0.618870 0.864981 H\n0.192405 0.331786 0.138945 H\n0.484204 0.749488 0.910830 H\n0.423788 0.191998 0.091352 H\n0.942643 0.230481 0.357272 H\n0.992635 0.826790 0.632253 H\n0.370699 0.060115 0.323021 H\n0.723434 0.055932 0.647378 H\n0.412686 0.578031 0.316849 H\n0.743624 0.398513 0.666654 H\n0.127118 0.253471 0.819008 S\n0.793405 0.716662 0.194977 S\n0.016494 0.244810 0.698538 O\n0.881240 0.783646 0.319148 O\n0.398255 0.273023 0.830443 O\n0.523480 0.678662 0.181775 O\n0.005521 0.435403 0.890757 O\n0.934332 0.520695 0.151769 O\n0.076384 0.052981 0.857127 O\n0.831696 0.887618 0.132614 O\n0.422656 0.076579 0.404926 O\n0.678228 0.912972 0.616819 O\n0.444720 0.591220 0.399811 O\n0.597802 0.466922 0.626653 O\n0.936286 0.264031 0.439116 O\n0.148933 0.785275 0.596895 O\n0.256867 0.746315 0.993737 O\n0.690012 0.212804 0.018288 O\n0.610109 0.743878 0.856458 O\n0.266013 0.187189 0.124060 O\n","nsites":40,"nelements":6,"elements":["Mg","Zn","Cu","H","S","O"],"chemical_system":"Cu-H-Mg-O-S-Zn","density":2.8461080355043125,"density_atomic":0.09604011223744377,"volume":416.49264112797385,"volume_molar":6.27044327594206,"formula_full":"Mg1 Zn3 Cu2 H14 S2 O18","formula_reduced":"MgZn3Cu2H14(SO9)2","formula_anonymous":"AB2C2D3E14F18","energy":-217.34135921,"energy_per_atom":-5.43353398025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.97535921,"band_gap":1.3723,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.760000Z","spacegroup":1},{"id":"mp-1223527","created_at":"2022-09-04T14:43:54.357591Z","structure_string":"K1 Mg3 Al1 Ge3 O10 F2\n1.0\n-5.465654 0.000000 0.000000\n2.731973 4.735171 0.000000\n-0.879192 -1.573944 -10.521354\nK Mg Al Ge O F\n1 3 1 3 10 2\ndirect\n0.999851 0.507934 0.023352 K\n0.339694 0.666111 0.490796 Mg\n0.664515 0.323124 0.491031 Mg\n0.996643 0.002889 0.491070 Mg\n0.666218 0.908583 0.228089 Al\n0.333791 0.240906 0.223478 Ge\n0.332284 0.089491 0.768949 Ge\n0.665872 0.755050 0.769126 Ge\n0.589661 0.144866 0.167863 O\n0.410366 0.555871 0.167821 O\n0.422275 0.867544 0.836002 O\n0.577234 0.444682 0.836984 O\n0.664758 0.964039 0.397064 O\n0.335408 0.298498 0.395351 O\n0.331854 0.036366 0.603142 O\n0.665324 0.698014 0.603294 O\n0.999310 0.966106 0.168613 O\n0.999340 0.022509 0.836590 O\n0.999604 0.639860 0.410713 F\n0.005997 0.367558 0.590673 F\n","nsites":20,"nelements":6,"elements":["K","Mg","Al","Ge","O","F"],"chemical_system":"Al-F-Ge-K-Mg-O","density":3.3839100061739935,"density_atomic":0.07344809903094279,"volume":272.3011250648467,"volume_molar":8.199178521234355,"formula_full":"K1 Mg3 Al1 Ge3 O10 F2","formula_reduced":"KMg3AlGe3(O5F)2","formula_anonymous":"ABC2D3E3F10","energy":-133.04653162,"energy_per_atom":-6.652326581,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.25253162,"band_gap":2.9397,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.18e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.014000Z","spacegroup":1},{"id":"mp-1228635","created_at":"2022-09-04T14:43:58.667797Z","structure_string":"Ba6 Ca1 Eu2 Cu6 Hg3 O21\n1.0\n-3.858106 3.858106 0.000000\n-7.716491 -3.858386 0.002893\n-0.003212 3.854894 12.830550\nBa Ca Eu Cu Hg O\n6 1 2 6 3 21\ndirect\n0.301571 0.599455 0.797404 Ba\n0.968707 0.265353 0.797235 Ba\n0.636591 0.931799 0.795017 Ba\n0.697960 0.401314 0.202765 Ba\n0.365096 0.067212 0.202596 Ba\n0.030075 0.734867 0.204983 Ba\n0.833333 0.833333 0.500000 Ca\n0.167862 0.164291 0.499986 Eu\n0.498805 0.502376 0.500014 Eu\n0.244733 0.877622 0.632912 Cu\n0.910736 0.546078 0.632451 Cu\n0.579145 0.209245 0.632466 Cu\n0.421933 0.789044 0.367088 Cu\n0.087522 0.457422 0.367534 Cu\n0.755931 0.120589 0.367549 Cu\n0.666484 0.666730 0.000302 Hg\n0.333333 0.333333 0.000000 Hg\n0.000183 0.999937 0.999698 Hg\n0.108745 0.945401 0.837109 O\n0.775678 0.612431 0.836215 O\n0.442246 0.278952 0.836556 O\n0.557922 0.721266 0.162891 O\n0.224420 0.387714 0.163444 O\n0.890989 0.054236 0.163785 O\n0.089800 0.705263 0.618803 O\n0.755098 0.372620 0.617475 O\n0.418664 0.040752 0.618821 O\n0.586135 0.705263 0.618803 O\n0.254808 0.372620 0.617475 O\n0.921762 0.040752 0.618821 O\n0.248002 0.625914 0.381179 O\n0.911569 0.294047 0.382525 O\n0.576867 0.961404 0.381197 O\n0.744904 0.625914 0.381179 O\n0.411859 0.294047 0.382525 O\n0.080532 0.961404 0.381197 O\n0.833333 0.333333 0.000000 O\n0.499615 0.001572 0.999198 O\n0.167052 0.665095 0.000802 O\n","nsites":39,"nelements":6,"elements":["Ba","Ca","Eu","Cu","Hg","O"],"chemical_system":"Ba-Ca-Cu-Eu-Hg-O","density":7.2070366314529934,"density_atomic":0.06806066831370948,"volume":573.0181757875014,"volume_molar":8.848195160591686,"formula_full":"Ba6 Ca1 Eu2 Cu6 Hg3 O21","formula_reduced":"Ba6CaEu2Cu6(HgO7)3","formula_anonymous":"AB2C3D6E6F21","energy":-238.38660455,"energy_per_atom":-6.112477039743589,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.95960455,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9195878,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.804000Z","spacegroup":12},{"id":"mp-1196580","created_at":"2022-09-04T14:43:48.054363Z","structure_string":"Al4 Co4 P8 C8 N8 O32\n1.0\n15.322839 0.000000 0.000000\n0.000000 7.845640 0.000000\n0.000000 3.047968 8.127293\nAl Co P C N O\n4 4 8 8 8 32\ndirect\n0.527607 0.993264 0.243628 Al\n0.027607 0.506736 0.756372 Al\n0.472393 0.006736 0.756372 Al\n0.972393 0.493264 0.243628 Al\n0.759398 0.005444 0.701096 Co\n0.259398 0.494556 0.298904 Co\n0.240602 0.994556 0.298904 Co\n0.740602 0.505444 0.701096 Co\n0.622999 0.155439 0.908240 P\n0.122999 0.344561 0.091760 P\n0.377001 0.844561 0.091760 P\n0.877001 0.655439 0.908240 P\n0.616181 0.879684 0.582081 P\n0.116181 0.620316 0.417919 P\n0.383819 0.120316 0.417919 P\n0.883819 0.379684 0.582081 P\n0.838517 0.018354 0.336302 C\n0.338517 0.481646 0.663698 C\n0.161483 0.981646 0.663698 C\n0.661483 0.518354 0.336302 C\n0.850475 0.058444 0.171393 C\n0.350475 0.441556 0.828607 C\n0.149525 0.941556 0.828607 C\n0.649525 0.558444 0.171393 C\n0.826438 0.993451 0.474954 N\n0.326438 0.506549 0.525046 N\n0.173562 0.006549 0.525046 N\n0.673562 0.493451 0.474954 N\n0.859160 0.102151 0.028810 N\n0.359160 0.397849 0.971190 N\n0.140840 0.897849 0.971190 N\n0.640840 0.602151 0.028810 N\n0.605968 0.108173 0.095047 O\n0.105968 0.391827 0.904953 O\n0.394032 0.891827 0.904953 O\n0.894032 0.608173 0.095047 O\n0.659828 0.352231 0.838139 O\n0.159828 0.147769 0.161861 O\n0.340172 0.647769 0.161861 O\n0.840172 0.852231 0.838139 O\n0.685178 0.015004 0.883527 O\n0.185178 0.484996 0.116473 O\n0.314822 0.984996 0.116473 O\n0.814822 0.515004 0.883527 O\n0.533529 0.156838 0.823115 O\n0.033529 0.343162 0.176885 O\n0.466471 0.843162 0.176885 O\n0.966471 0.656838 0.823115 O\n0.659386 0.069436 0.549945 O\n0.159386 0.430564 0.450055 O\n0.340614 0.930564 0.450055 O\n0.840614 0.569436 0.549945 O\n0.537773 0.851499 0.700961 O\n0.037773 0.648501 0.299039 O\n0.462227 0.148501 0.299039 O\n0.962227 0.351499 0.700961 O\n0.691370 0.746358 0.662056 O\n0.191370 0.753642 0.337944 O\n0.308630 0.253642 0.337944 O\n0.808630 0.246358 0.662056 O\n0.584267 0.857091 0.421950 O\n0.084267 0.642909 0.578050 O\n0.415733 0.142909 0.578050 O\n0.915733 0.357091 0.421950 O\n","nsites":64,"nelements":6,"elements":["Al","Co","P","C","N","O"],"chemical_system":"Al-C-Co-N-O-P","density":2.2290854593846197,"density_atomic":0.06550379203402061,"volume":977.0426720755405,"volume_molar":9.193575780883478,"formula_full":"Al4 Co4 P8 C8 N8 O32","formula_reduced":"AlCoP2C2(NO4)2","formula_anonymous":"ABC2D2E2F8","energy":-497.82827852,"energy_per_atom":-7.778566851875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-466.40427852,"band_gap":0.3982,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999999,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.944000Z","spacegroup":14}]}