{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=56","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=54","results":[{"id":"mp-694942","created_at":"2022-09-04T14:43:53.643112Z","structure_string":"Ba2 Na10 Li2 Co10 F36\n1.0\n6.922695 0.000000 0.000000\n-2.310529 6.539904 0.000000\n-2.306356 -3.256498 16.951292\nBa Na Li Co F\n2 10 2 10 36\ndirect\n0.997770 0.000696 0.001917 Ba\n0.329937 0.332518 0.664874 Ba\n0.159750 0.169170 0.334361 Na\n0.811749 0.330720 0.161894 Na\n0.340413 0.840595 0.166327 Na\n0.825085 0.842623 0.668216 Na\n0.655512 0.667872 0.333192 Na\n0.506318 0.001142 0.501546 Na\n0.492707 0.508986 0.002960 Na\n0.974874 0.485970 0.502089 Na\n0.151060 0.666437 0.828540 Na\n0.652482 0.157737 0.834556 Na\n0.829988 0.334061 0.666554 Li\n0.496548 0.999777 0.999662 Li\n0.661342 0.167494 0.332673 Co\n0.332255 0.336499 0.169642 Co\n0.162383 0.167545 0.833864 Co\n0.328494 0.832490 0.665315 Co\n0.827002 0.833790 0.170383 Co\n0.990860 0.995321 0.496894 Co\n0.160233 0.665857 0.333053 Co\n0.496102 0.499792 0.496234 Co\n0.661528 0.666394 0.833969 Co\n0.994704 0.500096 0.001225 Co\n0.247771 0.765082 0.030966 F\n0.953687 0.667627 0.237516 F\n0.536138 0.633479 0.174705 F\n0.095680 0.391131 0.099444 F\n0.834426 0.642444 0.068140 F\n0.925076 0.435599 0.365573 F\n0.243339 0.443808 0.269018 F\n0.622321 0.343328 0.566650 F\n0.199339 0.298571 0.501165 F\n0.416854 0.230447 0.070329 F\n0.760956 0.057238 0.428553 F\n0.821756 0.026450 0.269104 F\n0.563421 0.273556 0.237504 F\n0.502576 0.309536 0.397621 F\n0.581216 0.096855 0.695792 F\n0.908007 0.107394 0.595785 F\n0.125395 0.035290 0.165791 F\n0.285169 0.007334 0.901355 F\n0.703116 0.987795 0.098811 F\n0.083558 0.891747 0.398788 F\n0.866112 0.966639 0.837530 F\n0.427544 0.724363 0.763030 F\n0.399218 0.896898 0.302430 F\n0.488095 0.690447 0.598351 F\n0.168997 0.975851 0.731366 F\n0.228800 0.942103 0.567544 F\n0.579839 0.775827 0.931889 F\n0.787502 0.699844 0.492316 F\n0.370012 0.663894 0.429125 F\n0.747468 0.562401 0.734644 F\n0.077697 0.565684 0.636961 F\n0.155145 0.355931 0.935358 F\n0.896232 0.609504 0.903466 F\n0.457487 0.366210 0.828713 F\n0.037876 0.322249 0.763405 F\n0.743879 0.233863 0.971321 F\n","nsites":60,"nelements":5,"elements":["Ba","Na","Li","Co","F"],"chemical_system":"Ba-Co-F-Li-Na","density":3.8767428302128937,"density_atomic":0.07818111755875862,"volume":767.4487379245478,"volume_molar":7.702807209776627,"formula_full":"Ba2 Na10 Li2 Co10 F36","formula_reduced":"BaNa5LiCo5F18","formula_anonymous":"ABC5D5E18","energy":-327.90859662,"energy_per_atom":-5.465143277,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.89659662,"band_gap":2.0206000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.192000Z","spacegroup":1},{"id":"mp-557888","created_at":"2022-09-04T14:43:53.645764Z","structure_string":"K10 U4 O8 F18\n1.0\n3.129180 9.993654 0.000000\n-3.129180 9.993654 0.000000\n0.000000 2.380567 11.473214\nK U O F\n10 4 8 18\ndirect\n0.421729 0.939548 0.866535 K\n0.769618 0.275731 0.081071 K\n0.230382 0.724269 0.918929 K\n0.578271 0.060452 0.133465 K\n0.939548 0.421729 0.366535 K\n0.724269 0.230382 0.418929 K\n0.000000 0.500000 0.000000 K\n0.275731 0.769618 0.581071 K\n0.060452 0.578271 0.633465 K\n0.500000 0.000000 0.500000 K\n0.369883 0.855322 0.215584 U\n0.630117 0.144678 0.784416 U\n0.855322 0.369883 0.715584 U\n0.144678 0.630117 0.284416 U\n0.339585 0.371881 0.850489 O\n0.371881 0.339585 0.350489 O\n0.628119 0.660415 0.649511 O\n0.078531 0.080524 0.280387 O\n0.660415 0.628119 0.149511 O\n0.080524 0.078531 0.780387 O\n0.921469 0.919476 0.719613 O\n0.919476 0.921469 0.219613 O\n0.588156 0.411844 0.750000 F\n0.763076 0.103768 0.938888 F\n0.341179 0.478438 0.111709 F\n0.697683 0.908436 0.918318 F\n0.411844 0.588156 0.250000 F\n0.404499 0.002016 0.301686 F\n0.908436 0.697683 0.418318 F\n0.091564 0.302317 0.581682 F\n0.896232 0.236924 0.561112 F\n0.103768 0.763076 0.438888 F\n0.478438 0.341179 0.611709 F\n0.521562 0.658821 0.388291 F\n0.595501 0.997984 0.698314 F\n0.302317 0.091564 0.081682 F\n0.658821 0.521562 0.888291 F\n0.236924 0.896232 0.061112 F\n0.997984 0.595501 0.198314 F\n0.002016 0.404499 0.801686 F\n","nsites":40,"nelements":4,"elements":["K","U","O","F"],"chemical_system":"F-K-O-U","density":4.19558525226037,"density_atomic":0.055742962570664155,"volume":717.5793706567508,"volume_molar":10.803409941417918,"formula_full":"K10 U4 O8 F18","formula_reduced":"K5U2O4F9","formula_anonymous":"A2B4C5D9","energy":-268.28023537,"energy_per_atom":-6.70700588425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.46823537,"band_gap":2.3563,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002853,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.425000Z","spacegroup":15},{"id":"mp-1224395","created_at":"2022-09-04T14:43:54.004928Z","structure_string":"Hf1 Al6 Fe6\n1.0\n-2.475948 4.205693 4.266663\n2.475948 -4.205693 4.266663\n2.475948 4.205693 -4.266663\nHf Al Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.343731 0.343731 0.000000 Al\n0.656269 0.656269 0.000000 Al\n0.665011 0.000000 0.665011 Al\n0.334989 0.000000 0.334989 Al\n0.816006 0.316006 0.500000 Al\n0.183994 0.683994 0.500000 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.238750 0.500000 0.738750 Fe\n0.761250 0.500000 0.261250 Fe\n","nsites":13,"nelements":3,"elements":["Hf","Al","Fe"],"chemical_system":"Al-Fe-Hf","density":6.311235550664644,"density_atomic":0.07315026980242251,"volume":177.71636434305375,"volume_molar":8.232561241763959,"formula_full":"Hf1 Al6 Fe6","formula_reduced":"Hf(AlFe)6","formula_anonymous":"AB6C6","energy":-88.28616802,"energy_per_atom":-6.7912436938461545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.28616802,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9970707,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.177000Z","spacegroup":71},{"id":"mp-757218","created_at":"2022-09-04T14:43:53.647498Z","structure_string":"K4 Na2 H18 Pd1 I2 O20\n1.0\n6.841118 0.000000 0.000000\n-0.545170 7.291202 0.000000\n-2.757199 -0.947754 10.581615\nK Na H Pd I O\n4 2 18 1 2 20\ndirect\n0.099577 0.331138 0.615978 K\n0.085418 0.318357 0.139199 K\n0.914582 0.681643 0.860801 K\n0.900423 0.668862 0.384022 K\n0.293672 0.831412 0.232836 Na\n0.706328 0.168588 0.767164 Na\n0.144808 0.139095 0.863157 H\n0.176917 0.357222 0.879032 H\n0.091795 0.111424 0.379602 H\n0.307404 0.012245 0.567841 H\n0.361326 0.645868 0.464733 H\n0.329405 0.130319 0.391076 H\n0.546157 0.465874 0.876738 H\n0.388565 0.490591 0.366515 H\n0.651666 0.384576 0.004039 H\n0.348334 0.615424 0.995961 H\n0.611435 0.509409 0.633485 H\n0.453843 0.534126 0.123262 H\n0.670595 0.869681 0.608924 H\n0.638674 0.354132 0.535267 H\n0.692596 0.987755 0.432159 H\n0.908205 0.888576 0.620398 H\n0.823083 0.642778 0.120968 H\n0.855192 0.860905 0.136843 H\n0.500000 0.000000 0.000000 Pd\n0.343668 0.794036 0.740544 I\n0.656332 0.205964 0.259456 I\n0.072090 0.252915 0.865914 O\n0.083511 0.732099 0.637579 O\n0.236019 0.928027 0.867658 O\n0.337534 0.575724 0.822690 O\n0.215299 0.041314 0.399157 O\n0.355193 0.038155 0.661830 O\n0.310086 0.598883 0.373612 O\n0.481897 0.700280 0.625791 O\n0.602701 0.894437 0.855322 O\n0.332110 0.597627 0.081962 O\n0.667890 0.402373 0.918038 O\n0.397299 0.105563 0.144678 O\n0.518103 0.299720 0.374209 O\n0.689914 0.401117 0.626388 O\n0.644807 0.961845 0.338170 O\n0.784701 0.958686 0.600843 O\n0.662466 0.424276 0.177310 O\n0.763981 0.071973 0.132342 O\n0.916489 0.267901 0.362421 O\n0.927910 0.747085 0.134086 O\n","nsites":47,"nelements":6,"elements":["K","Na","H","Pd","I","O"],"chemical_system":"H-I-K-Na-O-Pd","density":2.8337844321159107,"density_atomic":0.08904708145828143,"volume":527.8106730765736,"volume_molar":6.762872697654188,"formula_full":"K4 Na2 H18 Pd1 I2 O20","formula_reduced":"K4Na2H18Pd(IO10)2","formula_anonymous":"AB2C2D4E18F20","energy":-239.66805865,"energy_per_atom":-5.099320396808511,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.92805865,"band_gap":1.6804,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011359,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.732000Z","spacegroup":2},{"id":"mp-778670","created_at":"2022-09-04T14:43:53.657299Z","structure_string":"V6 O6 F12\n1.0\n5.188976 0.000000 0.000000\n-2.566603 -4.508744 0.000000\n-0.130390 0.028572 -13.397821\nV O F\n6 6 12\ndirect\n0.968215 0.979888 0.506146 V\n0.023908 0.007349 0.007167 V\n0.355301 0.711223 0.173867 V\n0.662054 0.354731 0.340360 V\n0.368173 0.658552 0.672992 V\n0.678522 0.309925 0.840842 V\n0.242801 0.928586 0.081190 O\n0.580163 0.585107 0.749179 O\n0.743300 0.650388 0.414053 O\n0.573794 0.995831 0.249248 O\n0.675833 0.911998 0.578603 O\n0.749036 0.091850 0.916105 O\n0.387887 0.397925 0.248298 F\n0.982106 0.590277 0.244708 F\n0.084344 0.734107 0.583018 F\n0.339177 0.279996 0.916384 F\n0.325594 0.064135 0.417913 F\n0.990177 0.397497 0.743404 F\n0.072269 0.345517 0.083793 F\n0.398457 0.999421 0.748961 F\n0.268391 0.327874 0.580421 F\n0.939422 0.684649 0.910368 F\n0.656936 0.737191 0.080149 F\n0.934139 0.255981 0.412831 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.3354966206742294,"density_atomic":0.07656668265486738,"volume":313.4522636716886,"volume_molar":7.865223555714763,"formula_full":"V6 O6 F12","formula_reduced":"VOF2","formula_anonymous":"ABC2","energy":-175.73328032,"energy_per_atom":-7.322220013333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.86728032,"band_gap":1.5121,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9996096,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.522000Z","spacegroup":1},{"id":"mp-695133","created_at":"2022-09-04T14:43:53.662590Z","structure_string":"Cs1 Mg4 Al9 Si9 O36\n1.0\n9.520433 0.000000 0.000000\n-0.003818 9.861747 0.000000\n0.000227 -4.892892 8.592183\nCs Mg Al Si O\n1 4 9 9 36\ndirect\n0.243182 0.999985 0.993312 Cs\n0.752452 0.666968 0.332337 Mg\n0.247561 0.667077 0.332354 Mg\n0.752395 0.334738 0.676621 Mg\n0.247248 0.334853 0.677523 Mg\n0.750740 0.497481 0.997765 Al\n0.249298 0.497551 0.998074 Al\n0.751460 0.501691 0.502727 Al\n0.248528 0.501589 0.503056 Al\n0.749043 0.001117 0.502301 Al\n0.250939 0.001246 0.503307 Al\n0.999627 0.631036 0.893343 Al\n0.999340 0.114898 0.737050 Al\n0.500528 0.259640 0.892047 Al\n0.500243 0.731399 0.104478 Si\n0.000309 0.896595 0.270210 Si\n0.000295 0.378405 0.113113 Si\n0.499780 0.373255 0.269247 Si\n0.499790 0.885535 0.621329 Si\n0.999846 0.268589 0.377657 Si\n0.000757 0.735159 0.621325 Si\n0.500051 0.102317 0.367895 Si\n0.500249 0.623844 0.733608 Si\n0.004617 0.785836 0.086310 O\n0.497518 0.921862 0.219314 O\n0.642037 0.655892 0.136419 O\n0.358165 0.655945 0.136268 O\n0.858235 0.487385 0.143186 O\n0.142030 0.488526 0.144149 O\n0.142083 0.866348 0.349083 O\n0.858194 0.865829 0.348183 O\n0.495326 0.301066 0.085769 O\n0.002680 0.309137 0.235223 O\n0.640578 0.856336 0.511321 O\n0.359340 0.855426 0.510324 O\n0.640594 0.482887 0.350182 O\n0.359363 0.483126 0.350999 O\n0.497380 0.227904 0.306378 O\n0.859522 0.651352 0.510043 O\n0.140981 0.650370 0.508460 O\n0.004971 0.918439 0.685842 O\n0.002611 0.080706 0.309248 O\n0.856849 0.344568 0.481742 O\n0.143247 0.344316 0.481776 O\n0.497336 0.764858 0.691291 O\n0.641824 0.518119 0.655678 O\n0.358222 0.518142 0.655988 O\n0.640484 0.130467 0.473046 O\n0.359116 0.130035 0.472672 O\n0.005195 0.697055 0.760542 O\n0.497547 0.699082 0.923464 O\n0.149511 0.142175 0.650329 O\n0.850651 0.142036 0.649210 O\n0.851902 0.515797 0.862143 O\n0.148840 0.517142 0.862744 O\n0.645883 0.347988 0.862676 O\n0.353505 0.347060 0.863331 O\n0.495035 0.058360 0.766254 O\n0.004970 0.233461 0.939732 O\n","nsites":59,"nelements":5,"elements":["Cs","Mg","Al","Si","O"],"chemical_system":"Al-Cs-Mg-O-Si","density":2.6794664794795904,"density_atomic":0.07313713365090849,"volume":806.7037502674556,"volume_molar":8.234039891068653,"formula_full":"Cs1 Mg4 Al9 Si9 O36","formula_reduced":"CsMg4Al9(SiO4)9","formula_anonymous":"AB4C9D9E36","energy":-462.90708538,"energy_per_atom":-7.845882803050848,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-438.17508538,"band_gap":4.0440000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0052204,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.825000Z","spacegroup":1},{"id":"mp-571211","created_at":"2022-09-04T14:43:53.665927Z","structure_string":"V3 Si1\n1.0\n-2.460986 2.460986 2.460986\n2.460986 -2.460986 2.460986\n2.460986 2.460986 -2.460986\nV Si\n3 1\ndirect\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":2,"elements":["V","Si"],"chemical_system":"Si-V","density":5.038766698883092,"density_atomic":0.06709228307547578,"volume":59.61937523426027,"volume_molar":8.975906742099331,"formula_full":"V3 Si1","formula_reduced":"V3Si","formula_anonymous":"AB3","energy":-29.98567268,"energy_per_atom":-7.49641817,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.05667268,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059429,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.150000Z","spacegroup":229},{"id":"mp-644330","created_at":"2022-09-04T14:43:53.669434Z","structure_string":"H16 C6 N4 O2\n1.0\n0.000000 6.479762 7.195881\n1.703916 0.000000 7.195881\n1.703916 6.479762 0.000000\nH C N O\n16 6 4 2\ndirect\n0.259025 0.589808 0.031201 H\n0.119966 0.031201 0.589808 H\n0.218799 0.130034 0.990975 H\n0.660192 0.990975 0.130034 H\n0.675511 0.064343 0.865157 H\n0.394990 0.865157 0.064343 H\n0.384843 0.855010 0.574489 H\n0.185657 0.574489 0.855010 H\n0.584963 0.078679 0.703252 H\n0.633106 0.703252 0.078679 H\n0.546748 0.616894 0.665037 H\n0.171321 0.665037 0.616894 H\n0.665019 0.371594 0.914035 H\n0.049352 0.914035 0.371594 H\n0.335965 0.200648 0.584981 H\n0.878406 0.584981 0.200648 H\n0.677272 0.322728 0.322728 C\n0.927272 0.572728 0.572728 C\n0.823159 0.867924 0.612267 C\n0.696651 0.612267 0.867924 C\n0.637733 0.553349 0.426841 C\n0.382076 0.426841 0.553349 C\n0.166685 0.679703 0.256913 N\n0.896700 0.256913 0.679703 N\n0.993087 0.353300 0.083315 N\n0.570297 0.083315 0.353300 N\n0.027233 0.972767 0.972767 O\n0.277233 0.222767 0.222767 O\n","nsites":28,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.8415151768839373,"density_atomic":0.1762125464851748,"volume":158.89901461900564,"volume_molar":3.4175436880748205,"formula_full":"H16 C6 N4 O2","formula_reduced":"H8C3N2O","formula_anonymous":"AB2C3D8","energy":-157.93536121999998,"energy_per_atom":-5.640548614999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.25336122,"band_gap":1.686,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.411000Z","spacegroup":43},{"id":"mp-764142","created_at":"2022-09-04T14:43:53.672339Z","structure_string":"Li20 Mn4 V12 O32\n1.0\n8.653020 0.000000 0.000000\n0.000000 8.653020 0.000000\n0.000000 0.000000 8.653020\nLi Mn V O\n20 4 12 32\ndirect\n0.052703 0.052703 0.052703 Li\n0.138519 0.375000 0.388519 Li\n0.125000 0.611481 0.638519 Li\n0.111481 0.861481 0.875000 Li\n0.197297 0.197297 0.197297 Li\n0.302703 0.802703 0.697297 Li\n0.388519 0.138519 0.375000 Li\n0.375000 0.388519 0.138519 Li\n0.361481 0.625000 0.888519 Li\n0.447297 0.947297 0.552703 Li\n0.552703 0.447297 0.947297 Li\n0.638519 0.125000 0.611481 Li\n0.625000 0.888519 0.361481 Li\n0.611481 0.638519 0.125000 Li\n0.697297 0.302703 0.802703 Li\n0.802703 0.697297 0.302703 Li\n0.888519 0.361481 0.625000 Li\n0.875000 0.111481 0.861481 Li\n0.861481 0.875000 0.111481 Li\n0.947297 0.552703 0.447297 Li\n0.125000 0.875000 0.375000 Mn\n0.375000 0.125000 0.875000 Mn\n0.625000 0.625000 0.625000 Mn\n0.875000 0.375000 0.125000 Mn\n0.124452 0.125548 0.625000 V\n0.125000 0.375548 0.874452 V\n0.125548 0.625000 0.124452 V\n0.374452 0.375000 0.624452 V\n0.375000 0.624452 0.374452 V\n0.375548 0.874452 0.125000 V\n0.624452 0.374452 0.375000 V\n0.625000 0.124452 0.125548 V\n0.625548 0.875000 0.875548 V\n0.874452 0.125000 0.375548 V\n0.875000 0.875548 0.625548 V\n0.875548 0.625548 0.875000 V\n0.114226 0.888774 0.630608 O\n0.111226 0.130608 0.385774 O\n0.119683 0.619683 0.880317 O\n0.119392 0.138774 0.864226 O\n0.130608 0.385774 0.111226 O\n0.130317 0.369683 0.630317 O\n0.138774 0.864226 0.119392 O\n0.135774 0.619392 0.361226 O\n0.364226 0.380608 0.861226 O\n0.361226 0.135774 0.619392 O\n0.369683 0.630317 0.130317 O\n0.369392 0.614226 0.611226 O\n0.380608 0.861226 0.364226 O\n0.380317 0.380317 0.380317 O\n0.388774 0.869392 0.885774 O\n0.385774 0.111226 0.130608 O\n0.614226 0.611226 0.369392 O\n0.611226 0.369392 0.614226 O\n0.619683 0.880317 0.119683 O\n0.619392 0.361226 0.135774 O\n0.630608 0.114226 0.888774 O\n0.630317 0.130317 0.369683 O\n0.638774 0.635774 0.880608 O\n0.635774 0.880608 0.638774 O\n0.864226 0.119392 0.138774 O\n0.861226 0.364226 0.380608 O\n0.869683 0.869683 0.869683 O\n0.869392 0.885774 0.388774 O\n0.880608 0.638774 0.635774 O\n0.880317 0.119683 0.619683 O\n0.888774 0.630608 0.114226 O\n0.885774 0.388774 0.869392 O\n","nsites":68,"nelements":4,"elements":["Li","Mn","V","O"],"chemical_system":"Li-Mn-O-V","density":3.797961050929228,"density_atomic":0.10495564216022726,"volume":647.8927535519235,"volume_molar":5.737796116578932,"formula_full":"Li20 Mn4 V12 O32","formula_reduced":"Li5MnV3O8","formula_anonymous":"AB3C5D8","energy":-499.28192272,"energy_per_atom":-7.342381216470589,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-450.22592272,"band_gap":1.7064000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":44.0225429,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.832000Z","spacegroup":212},{"id":"mp-1111465","created_at":"2022-09-04T14:43:54.429805Z","structure_string":"Rb2 Nb1 Au1 F6\n1.0\n0.000000 5.114825 5.114825\n5.114825 0.000000 5.114825\n5.114825 5.114825 0.000000\nRb Nb Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Au\n0.810419 0.189581 0.189581 F\n0.189581 0.189581 0.810419 F\n0.189581 0.810419 0.810419 F\n0.189581 0.810419 0.189581 F\n0.810419 0.189581 0.810419 F\n0.810419 0.810419 0.189581 F\n","nsites":10,"nelements":4,"elements":["Rb","Nb","Au","F"],"chemical_system":"Au-F-Nb-Rb","density":3.5665042343557256,"density_atomic":0.037366090957169786,"volume":267.6223213036205,"volume_molar":16.116592894083492,"formula_full":"Rb2 Nb1 Au1 F6","formula_reduced":"Rb2NbAuF6","formula_anonymous":"ABC2D6","energy":-52.94353269,"energy_per_atom":-5.294353269,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.17153268999999,"band_gap":0.1361,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0118862,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.833000Z","spacegroup":225},{"id":"mp-1035418","created_at":"2022-09-04T14:43:53.678312Z","structure_string":"Na1 Li1 Mg14 O15\n1.0\n8.492198 0.000000 0.000000\n0.000000 8.667328 0.000000\n0.000000 0.000000 4.267768\nNa Li Mg O\n1 1 14 15\ndirect\n0.504769 0.500000 0.000000 Na\n0.996213 0.000000 0.000000 Li\n0.982728 0.500000 0.000000 Mg\n0.503813 0.000000 0.000000 Mg\n0.000745 0.244258 0.500000 Mg\n0.000745 0.755742 0.500000 Mg\n0.499226 0.250234 0.500000 Mg\n0.499226 0.749766 0.500000 Mg\n0.245471 0.000000 0.500000 Mg\n0.251525 0.500000 0.500000 Mg\n0.756314 0.000000 0.500000 Mg\n0.742445 0.500000 0.500000 Mg\n0.249036 0.223170 -0.000000 Mg\n0.249036 0.776830 0.000000 Mg\n0.749187 0.247011 -0.000000 Mg\n0.749187 0.752989 -0.000000 Mg\n0.252863 0.000000 0.000000 O\n0.748146 0.000000 0.000000 O\n0.756783 0.500000 0.000000 O\n0.250013 0.258916 0.500000 O\n0.250013 0.741084 0.500000 O\n0.750927 0.253342 0.500000 O\n0.750927 0.746658 0.500000 O\n0.002844 0.000000 0.500000 O\n0.014419 0.500000 0.500000 O\n0.497154 0.000000 0.500000 O\n0.484501 0.500000 0.500000 O\n0.012724 0.267961 0.000000 O\n0.012724 0.732039 0.000000 O\n0.493148 0.239773 0.000000 O\n0.493148 0.760227 0.000000 O\n","nsites":31,"nelements":4,"elements":["Na","Li","Mg","O"],"chemical_system":"Li-Mg-Na-O","density":3.225590984553351,"density_atomic":0.09868600033016224,"volume":314.12763610123943,"volume_molar":6.102325294218456,"formula_full":"Na1 Li1 Mg14 O15","formula_reduced":"NaLiMg14O15","formula_anonymous":"ABC14D15","energy":-187.35863167,"energy_per_atom":-6.043826828064516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.05363167,"band_gap":5.6724,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.590000Z","spacegroup":25},{"id":"mp-777195","created_at":"2022-09-04T14:43:51.669642Z","structure_string":"Li1 Fe7 O6 F10\n1.0\n11.360896 0.000000 0.000000\n0.000000 4.596928 0.000000\n0.000000 0.065644 5.119771\nLi Fe O F\n1 7 6 10\ndirect\n0.328197 0.500000 0.000000 Li\n0.161214 0.500000 0.500000 Fe\n0.434706 0.000000 0.500000 Fe\n0.674252 0.500000 0.500000 Fe\n0.920025 0.000000 0.500000 Fe\n0.085734 0.000000 0.000000 Fe\n0.568408 0.000000 0.000000 Fe\n0.826373 0.500000 0.000000 Fe\n0.058689 0.221155 0.677884 O\n0.558528 0.232383 0.681888 O\n0.809392 0.280699 0.685257 O\n0.058689 0.778845 0.322116 O\n0.558528 0.767617 0.318112 O\n0.809392 0.719301 0.314743 O\n0.305943 0.259083 0.649597 F\n0.305943 0.740917 0.350403 F\n0.192078 0.274546 0.168905 F\n0.438964 0.235429 0.173194 F\n0.691362 0.264705 0.171326 F\n0.944480 0.236395 0.165676 F\n0.192078 0.725454 0.831095 F\n0.438964 0.764571 0.826806 F\n0.691362 0.735295 0.828674 F\n0.944480 0.763605 0.834324 F\n","nsites":24,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":4.246885088502617,"density_atomic":0.08975949899087954,"volume":267.38117157314616,"volume_molar":6.709196049113321,"formula_full":"Li1 Fe7 O6 F10","formula_reduced":"LiFe7(O3F5)2","formula_anonymous":"AB6C7D10","energy":-162.56813168,"energy_per_atom":-6.773672153333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.03413168,"band_gap":0.8907999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":34.9951221,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.874000Z","spacegroup":3}]}