{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10178","results":[{"id":"mp-753641","created_at":"2022-09-04T14:47:22.179988Z","structure_string":"Li3 V2 C4 O12\n1.0\n-1.958810 -2.172113 -4.478894\n-1.011704 4.304870 -4.753344\n6.667695 -2.351725 -4.777119\nLi V C O\n3 2 4 12\ndirect\n0.253801 0.530195 0.152294 Li\n0.153693 0.061609 0.325655 Li\n0.539825 0.932850 0.690036 Li\n0.881980 0.995586 0.997717 V\n0.637091 0.505453 0.509066 V\n0.736537 0.399647 0.207916 C\n0.728751 0.885057 0.305410 C\n0.916846 0.117333 0.699233 C\n0.338519 0.605694 0.792911 C\n0.749256 0.338680 0.069047 O\n0.980248 0.888851 0.245686 O\n0.561414 0.949221 0.211814 O\n0.951848 0.395769 0.255023 O\n0.490690 0.471691 0.321600 O\n0.647205 0.817385 0.454795 O\n0.909772 0.195570 0.550225 O\n0.594445 0.606520 0.748271 O\n0.262391 0.559735 0.672381 O\n0.701519 0.079672 0.794105 O\n0.131673 0.073976 0.752944 O\n0.175915 0.649962 0.939361 O\n","nsites":21,"nelements":4,"elements":["Li","V","C","O"],"chemical_system":"C-Li-O-V","density":2.321864538706932,"density_atomic":0.08094866889657312,"volume":259.4236605277769,"volume_molar":7.4394561912987065,"formula_full":"Li3 V2 C4 O12","formula_reduced":"Li3V2(CO3)4","formula_anonymous":"A2B3C4D12","energy":-163.93782738000002,"energy_per_atom":-7.806563208571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.29382738,"band_gap":0.9352,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000115,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.329000Z","spacegroup":1},{"id":"mp-777820","created_at":"2022-09-04T14:47:22.437295Z","structure_string":"Li3 Co3 Ni1 O8\n1.0\n2.928774 -5.072786 0.000000\n2.841548 5.022426 0.007716\n2.876928 1.660996 4.873841\nLi Co Ni O\n3 3 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Ni\n0.281740 0.023983 0.212109 O\n0.269874 0.539749 0.219624 O\n0.742243 0.023983 0.212109 O\n0.752285 0.504568 0.227400 O\n0.247715 0.495432 0.772600 O\n0.257757 0.976017 0.787891 O\n0.730126 0.460251 0.780376 O\n0.718260 0.976017 0.787891 O\n","nsites":15,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.500571193531169,"density_atomic":0.10578565350841458,"volume":141.79616519367482,"volume_molar":5.692776440163483,"formula_full":"Li3 Co3 Ni1 O8","formula_reduced":"Li3Co3NiO8","formula_anonymous":"AB3C3D8","energy":-95.09214417,"energy_per_atom":-6.339476278,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.14114417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0322234,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.050000Z","spacegroup":12},{"id":"mp-867931","created_at":"2022-09-04T14:47:22.241323Z","structure_string":"K8 U4 S8 O48\n1.0\n7.302819 0.000000 0.000000\n0.000000 11.752827 0.000000\n0.000000 0.000000 14.027106\nK U S O\n8 4 8 48\ndirect\n0.259638 0.469081 0.928648 K\n0.240362 0.030919 0.428648 K\n0.740362 0.969081 0.071352 K\n0.759638 0.530919 0.571352 K\n0.740362 0.530919 0.071352 K\n0.759638 0.969081 0.571352 K\n0.259638 0.030919 0.928648 K\n0.240362 0.469081 0.428648 K\n0.909517 0.250000 0.244516 U\n0.590483 0.250000 0.744516 U\n0.090483 0.750000 0.755484 U\n0.409517 0.750000 0.255484 U\n0.242533 0.468969 0.175105 S\n0.257467 0.031031 0.675105 S\n0.757467 0.968969 0.824895 S\n0.742533 0.531031 0.324895 S\n0.757467 0.531031 0.824895 S\n0.742533 0.968969 0.324895 S\n0.242533 0.031031 0.175105 S\n0.257467 0.468969 0.675105 S\n0.893905 0.250000 0.114670 O\n0.606095 0.250000 0.614670 O\n0.106095 0.750000 0.885330 O\n0.393905 0.750000 0.385330 O\n0.935968 0.250000 0.373124 O\n0.564032 0.250000 0.873124 O\n0.064032 0.750000 0.626876 O\n0.435968 0.750000 0.126876 O\n0.788819 0.435409 0.254869 O\n0.711181 0.064591 0.754869 O\n0.211181 0.935409 0.745131 O\n0.288819 0.564591 0.245131 O\n0.211181 0.564591 0.745131 O\n0.288819 0.935409 0.245131 O\n0.788819 0.064591 0.254869 O\n0.711181 0.435409 0.754869 O\n0.168433 0.375751 0.237421 O\n0.331567 0.124249 0.737421 O\n0.831567 0.875751 0.762579 O\n0.668433 0.624249 0.262579 O\n0.831567 0.624249 0.762579 O\n0.668433 0.875751 0.262579 O\n0.168433 0.124249 0.237421 O\n0.331567 0.375751 0.737421 O\n0.105066 0.508545 0.106583 O\n0.394934 0.991455 0.606583 O\n0.894934 0.008545 0.893417 O\n0.605066 0.491455 0.393417 O\n0.894934 0.491455 0.893417 O\n0.605066 0.008545 0.393417 O\n0.105066 0.991455 0.106583 O\n0.394934 0.508545 0.606583 O\n0.411577 0.432872 0.126938 O\n0.088423 0.067128 0.626938 O\n0.588423 0.932872 0.873062 O\n0.911577 0.567128 0.373062 O\n0.588423 0.567128 0.873062 O\n0.911577 0.932872 0.373062 O\n0.411577 0.067128 0.126938 O\n0.088423 0.432872 0.626938 O\n0.594443 0.250000 0.247064 O\n0.905557 0.250000 0.747064 O\n0.405557 0.750000 0.752936 O\n0.094443 0.750000 0.252936 O\n0.100377 0.250000 0.930185 O\n0.399623 0.250000 0.430185 O\n0.899623 0.750000 0.069815 O\n0.600377 0.750000 0.569815 O\n","nsites":68,"nelements":4,"elements":["K","U","S","O"],"chemical_system":"K-O-S-U","density":3.157683039615849,"density_atomic":0.05648172520894629,"volume":1203.9292310644453,"volume_molar":10.662104844924494,"formula_full":"K8 U4 S8 O48","formula_reduced":"K2U(SO6)2","formula_anonymous":"AB2C2D12","energy":-460.78891049,"energy_per_atom":-6.776307507205882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-427.8129104899999,"band_gap":0.1558999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0200097,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.499000Z","spacegroup":62},{"id":"mp-1445738","created_at":"2022-09-04T14:47:22.270856Z","structure_string":"Y1 Ni1 F5\n1.0\n-2.086504 3.454425 4.070712\n2.086504 -3.454425 4.070712\n2.086504 3.454425 -4.070712\nY Ni F\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Ni\n0.817147 0.500000 0.317147 F\n0.182853 0.500000 0.682853 F\n0.230316 0.230316 0.000000 F\n0.769684 0.769684 0.000000 F\n0.500000 0.000000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Y","Ni","F"],"chemical_system":"F-Ni-Y","density":3.432407956133986,"density_atomic":0.059644813038356566,"volume":117.36142077431643,"volume_molar":10.096671367093169,"formula_full":"Y1 Ni1 F5","formula_reduced":"YNiF5","formula_anonymous":"ABC5","energy":-45.01102517,"energy_per_atom":-6.4301464528571435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.16002517,"band_gap":2.2381,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999444,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.466000Z","spacegroup":71},{"id":"mp-1048252","created_at":"2022-09-04T14:47:22.275015Z","structure_string":"Ba3 Y5 Ni3 O15\n1.0\n2.901825 5.957397 0.000000\n-2.901825 5.957397 0.000000\n0.000000 3.617824 10.729586\nBa Y Ni O\n3 5 3 15\ndirect\n0.002009 0.002009 0.000310 Ba\n0.993511 0.993511 0.337114 Ba\n0.010360 0.010360 0.657914 Ba\n0.705707 0.705707 0.262446 Y\n0.710351 0.710351 0.596724 Y\n0.706815 0.706815 0.933931 Y\n0.294644 0.294644 0.070049 Y\n0.297295 0.297295 0.734157 Y\n0.485925 0.485925 0.174676 Ni\n0.500898 0.500898 0.833643 Ni\n0.492136 0.492136 0.501227 Ni\n0.412249 0.839256 0.456403 O\n0.839256 0.412249 0.456403 O\n0.409265 0.883937 0.118074 O\n0.414851 0.882488 0.783230 O\n0.610752 0.108438 0.195534 O\n0.607699 0.115923 0.563119 O\n0.589234 0.118371 0.883123 O\n0.108438 0.610752 0.195534 O\n0.115923 0.607699 0.563119 O\n0.118371 0.589234 0.883123 O\n0.883937 0.409265 0.118074 O\n0.882488 0.414851 0.783230 O\n0.503294 0.503294 0.000458 O\n0.504225 0.504225 0.332076 O\n0.503712 0.503712 0.665201 O\n","nsites":26,"nelements":4,"elements":["Ba","Y","Ni","O"],"chemical_system":"Ba-Ni-O-Y","density":5.696314573312393,"density_atomic":0.07008621827900398,"volume":370.9716494689075,"volume_molar":8.592474965658234,"formula_full":"Ba3 Y5 Ni3 O15","formula_reduced":"Ba3Y5(NiO5)3","formula_anonymous":"A3B3C5D15","energy":-202.291257,"energy_per_atom":-7.7804329615384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.363257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9890592,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.523000Z","spacegroup":8},{"id":"mp-1222805","created_at":"2022-09-04T14:47:22.278359Z","structure_string":"La1 Mn1 Fe1 Si2\n1.0\n-2.011505 2.011505 5.188259\n2.011505 -2.011505 5.188259\n2.011505 2.011505 -5.188259\nLa Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Fe\n0.631263 0.631263 0.000000 Si\n0.368737 0.368737 0.000000 Si\n","nsites":5,"nelements":4,"elements":["La","Mn","Fe","Si"],"chemical_system":"Fe-La-Mn-Si","density":6.048493533705853,"density_atomic":0.059545114132731995,"volume":83.96994569284898,"volume_molar":10.113576651437846,"formula_full":"La1 Mn1 Fe1 Si2","formula_reduced":"LaMnFeSi2","formula_anonymous":"ABCD2","energy":-36.13177169,"energy_per_atom":-7.226354338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.27377169,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5613699,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.542000Z","spacegroup":119},{"id":"mp-1076894","created_at":"2022-09-04T14:47:22.399279Z","structure_string":"K20 Na12 Nb28 W4 O80\n1.0\n-0.010455 -0.001077 11.581988\n11.762420 -0.019971 -0.009850\n-5.902199 15.717698 -5.788436\nK Na Nb W O\n20 12 28 4 80\ndirect\n0.305920 0.061009 0.113296 K\n0.304704 0.564725 0.108168 K\n0.797629 0.060124 0.104555 K\n0.812301 0.558878 0.116879 K\n0.813542 0.574495 0.622198 K\n0.204864 0.935106 0.396197 K\n0.196111 0.931433 0.880520 K\n0.698132 0.442725 0.389223 K\n0.687698 0.425094 0.882784 K\n0.692000 0.931373 0.382146 K\n0.690852 0.921903 0.876805 K\n0.047675 0.292407 0.107198 K\n0.059945 0.789907 0.105815 K\n0.556297 0.305696 0.114508 K\n0.559807 0.802845 0.118959 K\n0.443369 0.200529 0.387027 K\n0.453871 0.712766 0.394590 K\n0.447496 0.707322 0.890265 K\n0.948883 0.694031 0.385146 K\n0.941504 0.697281 0.879123 K\n0.298519 0.078213 0.604526 Na\n0.303622 0.571871 0.604188 Na\n0.802936 0.068165 0.598870 Na\n0.203992 0.438437 0.406213 Na\n0.195673 0.433310 0.897730 Na\n0.046171 0.279091 0.605259 Na\n0.061116 0.793745 0.609308 Na\n0.551313 0.284225 0.600860 Na\n0.555249 0.789672 0.608202 Na\n0.443328 0.214364 0.896892 Na\n0.955716 0.221045 0.407298 Na\n0.945388 0.216446 0.897690 Na\n0.006425 0.000364 0.502052 Nb\n0.009359 0.503318 0.505288 Nb\n0.509138 0.003987 0.506488 Nb\n0.500252 0.500427 0.997753 Nb\n0.507325 0.502816 0.503921 Nb\n0.248496 0.247557 0.997172 Nb\n0.256655 0.255005 0.504699 Nb\n0.260496 0.752398 0.505323 Nb\n0.746060 0.244249 0.995250 Nb\n0.757364 0.251404 0.502393 Nb\n0.751557 0.743651 0.996615 Nb\n0.760272 0.752273 0.504106 Nb\n0.093916 0.082452 0.253394 Nb\n0.084689 0.085857 0.745884 Nb\n0.147150 0.573709 0.254674 Nb\n0.137402 0.566770 0.748966 Nb\n0.626686 0.104049 0.251431 Nb\n0.581769 0.081269 0.745068 Nb\n0.606413 0.597993 0.251325 Nb\n0.592556 0.566606 0.744182 Nb\n0.344218 0.419049 0.254097 Nb\n0.340694 0.424877 0.746502 Nb\n0.358891 0.907012 0.250956 Nb\n0.372456 0.928041 0.744848 Nb\n0.872232 0.397713 0.252105 Nb\n0.858802 0.395944 0.746258 Nb\n0.894829 0.930122 0.253652 Nb\n0.875005 0.937286 0.747677 Nb\n0.998613 0.996057 0.995488 W\n0.000776 0.495254 0.997488 W\n0.500006 0.998920 0.995919 W\n0.250917 0.746845 0.995159 W\n0.126093 0.125828 0.499792 O\n0.121359 0.121895 0.994400 O\n0.133852 0.622487 0.499411 O\n0.123702 0.613657 0.980714 O\n0.630275 0.127228 0.501355 O\n0.622515 0.126480 0.989243 O\n0.632291 0.630730 0.504928 O\n0.627456 0.621314 0.999991 O\n0.127723 0.364205 0.996073 O\n0.135380 0.379456 0.508334 O\n0.124505 0.874202 0.998076 O\n0.139631 0.880876 0.515081 O\n0.619295 0.371309 0.996354 O\n0.635262 0.380682 0.512559 O\n0.635687 0.867559 0.003402 O\n0.639313 0.888793 0.516535 O\n0.377292 0.128789 0.502055 O\n0.367916 0.128840 0.991679 O\n0.380538 0.622153 0.499544 O\n0.376164 0.618332 0.993271 O\n0.876148 0.121396 0.489271 O\n0.869242 0.117101 0.987764 O\n0.885802 0.628299 0.503250 O\n0.868815 0.624014 0.994634 O\n0.370928 0.371287 0.995391 O\n0.381135 0.379394 0.507964 O\n0.377525 0.874157 0.005529 O\n0.389624 0.882205 0.515421 O\n0.869479 0.365407 0.999623 O\n0.891277 0.380505 0.514640 O\n0.874587 0.870284 0.996410 O\n0.884962 0.879042 0.506097 O\n0.059053 0.071810 0.137602 O\n0.055720 0.089556 0.633262 O\n0.087305 0.575722 0.141112 O\n0.094634 0.593122 0.643318 O\n0.569512 0.086300 0.133715 O\n0.565904 0.102693 0.640232 O\n0.561554 0.562584 0.128412 O\n0.569273 0.582375 0.636385 O\n0.442259 0.424404 0.367820 O\n0.431407 0.432287 0.859704 O\n0.437941 0.933965 0.374881 O\n0.436317 0.915437 0.852953 O\n0.938580 0.419248 0.373452 O\n0.924072 0.399859 0.859694 O\n0.954551 0.909950 0.361724 O\n0.937627 0.917829 0.854485 O\n0.311208 0.314691 0.136120 O\n0.320111 0.305299 0.635627 O\n0.311887 0.809925 0.132832 O\n0.341034 0.793719 0.641304 O\n0.812605 0.301677 0.129407 O\n0.834300 0.283618 0.633968 O\n0.841541 0.809717 0.142190 O\n0.848137 0.808105 0.644358 O\n0.185710 0.196025 0.366526 O\n0.175339 0.185067 0.860644 O\n0.200371 0.693887 0.368665 O\n0.196505 0.691823 0.855507 O\n0.688184 0.206781 0.372018 O\n0.673090 0.184200 0.858109 O\n0.687757 0.691129 0.375389 O\n0.675122 0.671996 0.862127 O\n0.482932 0.024122 0.254084 O\n0.409796 0.096667 0.746965 O\n0.447513 0.554702 0.252833 O\n0.420363 0.571796 0.737077 O\n0.929466 0.105707 0.264277 O\n0.911942 0.103733 0.747542 O\n0.982533 0.520874 0.252639 O\n0.968583 0.521174 0.747768 O\n0.181232 0.409574 0.265546 O\n0.168675 0.396176 0.747652 O\n0.196250 0.944474 0.253875 O\n0.197214 0.956177 0.733474 O\n0.737100 0.490299 0.253696 O\n0.686817 0.425615 0.733079 O\n0.731450 0.978956 0.253933 O\n0.698714 0.955743 0.734655 O\n","nsites":144,"nelements":5,"elements":["K","Na","Nb","W","O"],"chemical_system":"K-Na-Nb-O-W","density":4.403550765004819,"density_atomic":0.06729552867573528,"volume":2139.8152720348867,"volume_molar":8.948797755966515,"formula_full":"K20 Na12 Nb28 W4 O80","formula_reduced":"K5Na3Nb7WO20","formula_anonymous":"AB3C5D7E20","energy":-1122.77713472,"energy_per_atom":-7.797063435555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1050.06513472,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.2478228,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.428000Z","spacegroup":1},{"id":"mp-1213720","created_at":"2022-09-04T14:47:22.261978Z","structure_string":"Cs2 Pr10 Os2 I17\n1.0\n9.601766 6.965128 0.000000\n-9.601766 6.965128 0.000000\n0.000000 1.052460 10.083851\nCs Pr Os I\n2 10 2 17\ndirect\n0.674307 0.325693 0.000000 Cs\n0.325693 0.674307 0.000000 Cs\n0.707576 0.006351 0.427230 Pr\n0.292424 0.993649 0.572770 Pr\n0.993649 0.292424 0.572770 Pr\n0.006351 0.707576 0.427230 Pr\n0.671229 0.671229 0.555463 Pr\n0.328771 0.328771 0.444537 Pr\n0.936422 0.936422 0.681705 Pr\n0.063578 0.063578 0.318295 Pr\n0.792839 0.792839 0.182623 Pr\n0.207161 0.207161 0.817377 Pr\n0.859427 0.859427 0.430212 Os\n0.140573 0.140573 0.569788 Os\n0.616472 0.949791 0.140286 I\n0.383528 0.050209 0.859714 I\n0.050209 0.383528 0.859714 I\n0.949791 0.616472 0.140286 I\n0.526517 0.189431 0.421306 I\n0.473483 0.810569 0.578694 I\n0.810569 0.473483 0.578694 I\n0.189431 0.526517 0.421306 I\n0.563868 0.563868 0.282732 I\n0.436132 0.436132 0.717268 I\n0.246635 0.899757 0.276356 I\n0.753365 0.100243 0.723644 I\n0.100243 0.753365 0.723644 I\n0.899757 0.246635 0.276356 I\n0.289167 0.289167 0.132615 I\n0.710833 0.710833 0.867385 I\n0.000000 0.000000 0.000000 I\n","nsites":31,"nelements":4,"elements":["Cs","Pr","Os","I"],"chemical_system":"Cs-I-Os-Pr","density":5.186512233172468,"density_atomic":0.022983970657319584,"volume":1348.7660797255496,"volume_molar":26.201481240066588,"formula_full":"Cs2 Pr10 Os2 I17","formula_reduced":"Cs2Pr10Os2I17","formula_anonymous":"A2B2C10D17","energy":-143.17678043,"energy_per_atom":-4.618605820322581,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.73378043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7236878,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.984000Z","spacegroup":12},{"id":"mp-1213343","created_at":"2022-09-04T14:47:22.279699Z","structure_string":"Cs2 Yb2 Mo4 O16\n1.0\n5.056068 0.000000 0.000000\n0.000000 8.233493 0.000000\n0.000000 0.349974 9.925320\nCs Yb Mo O\n2 2 4 16\ndirect\n0.466248 0.750000 0.500000 Cs\n0.533752 0.250000 0.500000 Cs\n0.500767 0.750000 0.000000 Yb\n0.499233 0.250000 0.000000 Yb\n0.984515 0.491653 0.192732 Mo\n0.015485 0.508347 0.807268 Mo\n0.984515 0.008347 0.807268 Mo\n0.015485 0.991653 0.192732 Mo\n0.878256 0.982913 0.355607 O\n0.121744 0.017087 0.644393 O\n0.878256 0.517087 0.644393 O\n0.121744 0.482913 0.355607 O\n0.765167 0.317644 0.183790 O\n0.234833 0.682356 0.816210 O\n0.765167 0.182356 0.816210 O\n0.234833 0.817644 0.183790 O\n0.751989 0.997561 0.064794 O\n0.248011 0.002439 0.935206 O\n0.751989 0.502439 0.935206 O\n0.248011 0.497561 0.064794 O\n0.765582 0.666597 0.184595 O\n0.234418 0.333403 0.815405 O\n0.765582 0.833403 0.815405 O\n0.234418 0.166597 0.184595 O\n","nsites":24,"nelements":4,"elements":["Cs","Yb","Mo","O"],"chemical_system":"Cs-Mo-O-Yb","density":5.030225324031204,"density_atomic":0.0580857628286927,"volume":413.18214363098093,"volume_molar":10.3676709519346,"formula_full":"Cs2 Yb2 Mo4 O16","formula_reduced":"CsYb(MoO4)2","formula_anonymous":"ABC2D8","energy":-182.29612507,"energy_per_atom":-7.595671877916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.49612507,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0030829,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.199000Z","spacegroup":13},{"id":"mp-1076875","created_at":"2022-09-04T14:47:22.286743Z","structure_string":"Sr24 Ca8 Ti16 Mn16 O80\n1.0\n0.001243 -0.019070 11.151120\n11.352219 0.007264 0.001308\n-5.667209 15.796370 -5.602184\nSr Ca Ti Mn O\n24 8 16 16 80\ndirect\n0.307142 0.062029 0.612278 Sr\n0.306913 0.562295 0.613076 Sr\n0.807252 0.062839 0.613077 Sr\n0.808173 0.562386 0.614986 Sr\n0.193684 0.436612 0.386510 Sr\n0.194573 0.438142 0.888780 Sr\n0.193194 0.936717 0.384803 Sr\n0.693381 0.436970 0.385127 Sr\n0.695242 0.438744 0.888871 Sr\n0.693676 0.936367 0.386460 Sr\n0.695428 0.937736 0.888785 Sr\n0.056752 0.299054 0.113132 Sr\n0.057447 0.299760 0.612779 Sr\n0.058245 0.802198 0.614890 Sr\n0.556806 0.300192 0.612277 Sr\n0.556486 0.799645 0.112949 Sr\n0.556819 0.800693 0.612907 Sr\n0.442489 0.197811 0.383761 Sr\n0.444475 0.200115 0.888375 Sr\n0.442043 0.697667 0.383820 Sr\n0.443930 0.700294 0.888707 Sr\n0.941912 0.197763 0.383736 Sr\n0.944882 0.199905 0.888728 Sr\n0.942587 0.697841 0.384103 Sr\n0.303645 0.065526 0.109756 Ca\n0.302404 0.566080 0.110361 Ca\n0.802194 0.065717 0.110060 Ca\n0.803187 0.566222 0.110413 Ca\n0.193747 0.934618 0.890970 Ca\n0.054437 0.793972 0.110357 Ca\n0.554323 0.294022 0.110927 Ca\n0.944986 0.705836 0.890545 Ca\n0.003066 0.999294 0.002860 Ti\n0.999734 0.999302 0.499477 Ti\n0.000628 0.502835 0.001607 Ti\n0.999064 0.500301 0.499849 Ti\n0.499853 0.001898 0.001851 Ti\n0.499328 0.999632 0.499432 Ti\n0.501482 0.500649 0.003615 Ti\n0.499964 0.499916 0.499559 Ti\n0.252087 0.249798 0.001856 Ti\n0.249168 0.249251 0.499323 Ti\n0.248710 0.751810 0.001952 Ti\n0.248855 0.749571 0.499480 Ti\n0.749835 0.251375 0.003022 Ti\n0.749492 0.250145 0.499632 Ti\n0.753902 0.751141 0.002335 Ti\n0.749747 0.748985 0.499906 Ti\n0.107898 0.091565 0.245590 Mn\n0.113711 0.095108 0.753040 Mn\n0.108373 0.597468 0.246876 Mn\n0.110608 0.601365 0.753124 Mn\n0.608364 0.097329 0.247115 Mn\n0.612778 0.097188 0.751181 Mn\n0.607962 0.591803 0.245988 Mn\n0.615172 0.597814 0.751505 Mn\n0.361425 0.403399 0.246542 Mn\n0.362669 0.403843 0.751279 Mn\n0.355631 0.902002 0.245479 Mn\n0.360464 0.903428 0.752578 Mn\n0.856227 0.402072 0.245887 Mn\n0.863725 0.407446 0.752980 Mn\n0.861758 0.903544 0.246601 Mn\n0.865573 0.901481 0.752168 Mn\n0.126485 0.122726 0.490288 O\n0.130102 0.118326 0.988274 O\n0.126322 0.622792 0.490404 O\n0.123998 0.625230 0.987367 O\n0.626744 0.123304 0.490413 O\n0.627439 0.124363 0.991370 O\n0.626799 0.622592 0.490230 O\n0.630335 0.623467 0.991522 O\n0.142613 0.380846 0.014910 O\n0.135446 0.376609 0.508256 O\n0.141074 0.879836 0.015610 O\n0.135739 0.876831 0.508803 O\n0.640620 0.379082 0.015995 O\n0.636183 0.377467 0.508991 O\n0.643182 0.881079 0.014517 O\n0.635619 0.876362 0.508159 O\n0.376355 0.117528 0.489825 O\n0.376871 0.116526 0.989822 O\n0.376615 0.618041 0.490269 O\n0.376889 0.616068 0.991197 O\n0.877042 0.117837 0.490566 O\n0.878836 0.114731 0.990789 O\n0.876634 0.617947 0.490028 O\n0.881117 0.620716 0.989666 O\n0.392188 0.384317 0.016737 O\n0.385473 0.381541 0.507834 O\n0.387473 0.888797 0.014916 O\n0.385649 0.881627 0.508325 O\n0.887614 0.389860 0.015209 O\n0.885759 0.382048 0.508403 O\n0.892952 0.883452 0.015750 O\n0.885821 0.881358 0.508203 O\n0.084849 0.087117 0.124153 O\n0.076556 0.081404 0.625333 O\n0.083272 0.593691 0.124226 O\n0.073206 0.583773 0.624783 O\n0.581724 0.093153 0.124654 O\n0.574740 0.082973 0.623963 O\n0.583660 0.588220 0.124737 O\n0.575643 0.583312 0.624120 O\n0.450965 0.417633 0.374263 O\n0.452375 0.415444 0.877846 O\n0.447940 0.917658 0.373495 O\n0.454069 0.915812 0.878177 O\n0.947864 0.417798 0.373735 O\n0.952354 0.413619 0.877782 O\n0.950930 0.917579 0.374494 O\n0.957224 0.906948 0.877401 O\n0.330275 0.278975 0.124904 O\n0.324770 0.290912 0.624086 O\n0.325795 0.779245 0.124183 O\n0.323427 0.791658 0.625098 O\n0.828281 0.278923 0.124910 O\n0.826708 0.293750 0.625284 O\n0.832835 0.779637 0.125254 O\n0.825657 0.789955 0.623962 O\n0.198194 0.205262 0.373319 O\n0.202998 0.213781 0.877737 O\n0.197693 0.708796 0.374647 O\n0.203422 0.719899 0.877833 O\n0.698153 0.208954 0.374743 O\n0.702107 0.211196 0.877915 O\n0.698541 0.705252 0.373421 O\n0.708207 0.711361 0.877587 O\n0.419515 0.070610 0.240707 O\n0.429175 0.070841 0.750533 O\n0.420076 0.573060 0.240771 O\n0.431911 0.572417 0.751325 O\n0.920246 0.073163 0.240742 O\n0.930159 0.071463 0.751092 O\n0.919705 0.570769 0.240793 O\n0.928838 0.582628 0.758963 O\n0.179470 0.430300 0.249523 O\n0.179551 0.431624 0.751052 O\n0.168225 0.917645 0.241809 O\n0.178810 0.925945 0.759190 O\n0.668538 0.417697 0.241842 O\n0.679755 0.427320 0.750413 O\n0.679758 0.930180 0.249531 O\n0.682142 0.928815 0.751023 O\n","nsites":144,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.4429866622696315,"density_atomic":0.07203932956805467,"volume":1998.9081084376967,"volume_molar":8.359518052303578,"formula_full":"Sr24 Ca8 Ti16 Mn16 O80","formula_reduced":"Sr3CaTi2Mn2O10","formula_anonymous":"AB2C2D3E10","energy":-1169.5087284,"energy_per_atom":-8.121588391666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1087.8607284,"band_gap":0.7831000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":79.7003041,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.723000Z","spacegroup":1},{"id":"mp-621694","created_at":"2022-09-04T14:47:22.306816Z","structure_string":"Cd1 C1 N2\n1.0\n6.008567 -1.861772 0.000000\n6.008567 1.861772 0.000000\n5.431691 0.000000 3.172665\nCd C N\n1 1 2\ndirect\n0.999185 0.999185 0.999185 Cd\n0.410635 0.410635 0.410635 C\n0.624146 0.624146 0.624146 N\n0.477034 0.477034 0.477034 N\n","nsites":4,"nelements":3,"elements":["Cd","C","N"],"chemical_system":"C-Cd-N","density":3.5660092181113563,"density_atomic":0.05635187557287116,"volume":70.98255309758801,"volume_molar":10.686673156446226,"formula_full":"Cd1 C1 N2","formula_reduced":"CdCN2","formula_anonymous":"ABC2","energy":-21.91158939,"energy_per_atom":-5.4778973475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.18958939,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000213,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.427000Z","spacegroup":160},{"id":"mp-1043126","created_at":"2022-09-04T14:47:22.291325Z","structure_string":"Zn4 Co4 Ni4 P8 O36\n1.0\n6.237763 0.000000 0.000000\n0.000000 7.280071 0.000000\n0.000000 0.000000 14.064527\nZn Co Ni P O\n4 4 4 8 36\ndirect\n0.250000 0.377978 0.275046 Zn\n0.250000 0.122022 0.775046 Zn\n0.750000 0.622022 0.724954 Zn\n0.750000 0.877978 0.224954 Zn\n0.250000 0.849021 0.381949 Co\n0.750000 0.150979 0.618051 Co\n0.750000 0.349021 0.118051 Co\n0.250000 0.650979 0.881949 Co\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.750000 0.854567 0.433391 P\n0.250000 0.145433 0.566609 P\n0.250000 0.354567 0.066609 P\n0.750000 0.645433 0.933391 P\n0.250000 0.884380 0.199937 P\n0.750000 0.115620 0.800063 P\n0.750000 0.384380 0.300063 P\n0.250000 0.615620 0.699937 P\n0.538469 0.105707 0.858490 O\n0.038469 0.894293 0.141510 O\n0.461531 0.605707 0.641510 O\n0.961531 0.394293 0.358490 O\n0.461531 0.894293 0.141510 O\n0.961531 0.105707 0.858490 O\n0.538469 0.394293 0.358490 O\n0.038469 0.605707 0.641510 O\n0.750000 0.834131 0.982343 O\n0.250000 0.165869 0.017657 O\n0.250000 0.334131 0.517657 O\n0.750000 0.665869 0.482343 O\n0.250000 0.648717 0.449749 O\n0.750000 0.351283 0.550251 O\n0.750000 0.148717 0.050251 O\n0.250000 0.851283 0.949749 O\n0.250000 0.703880 0.261013 O\n0.750000 0.296120 0.738987 O\n0.750000 0.203880 0.238987 O\n0.250000 0.796120 0.761013 O\n0.938264 0.631518 0.861544 O\n0.438264 0.368482 0.138456 O\n0.061736 0.131518 0.638456 O\n0.561736 0.868482 0.361544 O\n0.061736 0.368482 0.138456 O\n0.561736 0.631518 0.861544 O\n0.938264 0.868482 0.361544 O\n0.438264 0.131518 0.638456 O\n0.250000 0.460165 0.777764 O\n0.750000 0.539835 0.222236 O\n0.750000 0.960165 0.722236 O\n0.250000 0.039835 0.277764 O\n0.250000 0.502493 0.991767 O\n0.750000 0.497507 0.008233 O\n0.750000 0.002493 0.508233 O\n0.250000 0.997507 0.491767 O\n","nsites":56,"nelements":5,"elements":["Zn","Co","Ni","P","O"],"chemical_system":"Co-Ni-O-P-Zn","density":4.04523911630168,"density_atomic":0.08767956995630259,"volume":638.6892639631908,"volume_molar":6.868351159798448,"formula_full":"Zn4 Co4 Ni4 P8 O36","formula_reduced":"ZnCoNiP2O9","formula_anonymous":"ABCD2E9","energy":-388.6913684,"energy_per_atom":-6.940917292857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-347.2433684,"band_gap":0.1800999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0029247,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.313000Z","spacegroup":62}]}