{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10178","results":[{"id":"mp-761187","created_at":"2022-09-04T14:46:17.102407Z","structure_string":"Li8 Cu10 P12 O44\n1.0\n6.759089 0.000000 0.000000\n0.000000 10.651328 0.000000\n0.000000 3.289296 11.888889\nLi Cu P O\n8 10 12 44\ndirect\n0.882058 0.447393 0.183170 Li\n0.617942 0.947393 0.183170 Li\n0.474759 0.122828 0.336404 Li\n0.025241 0.622828 0.336404 Li\n0.974759 0.377172 0.663596 Li\n0.525241 0.877172 0.663596 Li\n0.382058 0.052607 0.816830 Li\n0.117942 0.552607 0.816830 Li\n0.500000 0.500000 0.000000 Cu\n0.240440 0.213731 0.129387 Cu\n0.000000 0.000000 0.000000 Cu\n0.259560 0.713731 0.129387 Cu\n0.007646 0.200225 0.338639 Cu\n0.492354 0.700225 0.338639 Cu\n0.507646 0.299775 0.661361 Cu\n0.992354 0.799775 0.661361 Cu\n0.740440 0.286269 0.870613 Cu\n0.759560 0.786269 0.870613 Cu\n0.730526 0.228208 0.094460 P\n0.769474 0.728208 0.094460 P\n0.388198 0.430368 0.257082 P\n0.111802 0.930368 0.257082 P\n0.707127 0.420718 0.418463 P\n0.792873 0.920718 0.418463 P\n0.207127 0.079282 0.581537 P\n0.292873 0.579282 0.581537 P\n0.888198 0.069632 0.742918 P\n0.611802 0.569632 0.742918 P\n0.230526 0.271792 0.905540 P\n0.269474 0.771792 0.905540 P\n0.773148 0.145526 0.008728 O\n0.690021 0.361982 0.000906 O\n0.726852 0.645526 0.008728 O\n0.809979 0.861982 0.000906 O\n0.559717 0.163513 0.170379 O\n0.906520 0.254823 0.165585 O\n0.552346 0.453647 0.169100 O\n0.218897 0.055703 0.262999 O\n0.940283 0.663513 0.170379 O\n0.593480 0.754823 0.165585 O\n0.239613 0.325418 0.244037 O\n0.947654 0.953647 0.169100 O\n0.281103 0.555703 0.262999 O\n0.793564 0.071088 0.390327 O\n0.260387 0.825418 0.244037 O\n0.875491 0.381290 0.351297 O\n0.496562 0.371113 0.376881 O\n0.216742 0.147762 0.456450 O\n0.706436 0.571088 0.390327 O\n0.624509 0.881290 0.351297 O\n0.003438 0.871113 0.376881 O\n0.283258 0.647762 0.456450 O\n0.716742 0.352238 0.543550 O\n0.996562 0.128887 0.623119 O\n0.375491 0.118710 0.648703 O\n0.293564 0.428912 0.609673 O\n0.783258 0.852238 0.543550 O\n0.503438 0.628887 0.623119 O\n0.124509 0.618710 0.648703 O\n0.739613 0.174582 0.755963 O\n0.206436 0.928912 0.609673 O\n0.718897 0.444297 0.737001 O\n0.052346 0.046353 0.830900 O\n0.760387 0.674582 0.755963 O\n0.406520 0.245177 0.834415 O\n0.059717 0.336487 0.829621 O\n0.781103 0.944297 0.737001 O\n0.447654 0.546353 0.830900 O\n0.093480 0.745177 0.834415 O\n0.440283 0.836487 0.829621 O\n0.190021 0.138018 0.999094 O\n0.273148 0.354474 0.991272 O\n0.309979 0.638018 0.999094 O\n0.226852 0.854474 0.991272 O\n","nsites":74,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.427406521669458,"density_atomic":0.08645667391303077,"volume":855.9200423837575,"volume_molar":6.965501316946154,"formula_full":"Li8 Cu10 P12 O44","formula_reduced":"Li4Cu5(P3O11)2","formula_anonymous":"A4B5C6D22","energy":-499.89313653,"energy_per_atom":-6.755312655810811,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-469.66513653,"band_gap":0.0522,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9224572,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.830000Z","spacegroup":14},{"id":"mp-554790","created_at":"2022-09-04T14:40:22.416531Z","structure_string":"Na8 Ni10 P12 O44\n1.0\n6.661066 0.000000 0.000000\n0.000000 10.673948 0.000000\n0.000000 2.996669 12.297849\nNa Ni P O\n8 10 12 44\ndirect\n0.090286 0.543787 0.841099 Na\n0.590286 0.956213 0.158901 Na\n0.519161 0.863526 0.647820 Na\n0.909714 0.456213 0.158901 Na\n0.409714 0.043787 0.841099 Na\n0.019161 0.636474 0.352180 Na\n0.980839 0.363526 0.647820 Na\n0.480839 0.136474 0.352180 Na\n0.007945 0.195966 0.333459 Ni\n0.507945 0.304034 0.666541 Ni\n0.260237 0.718036 0.132656 Ni\n0.739763 0.281964 0.867344 Ni\n0.492055 0.695966 0.333459 Ni\n0.760237 0.781964 0.867344 Ni\n0.239763 0.218036 0.132656 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.992055 0.804034 0.666541 Ni\n0.235933 0.273888 0.914992 P\n0.264067 0.773888 0.914992 P\n0.387230 0.433093 0.255155 P\n0.202135 0.090919 0.582576 P\n0.735933 0.226112 0.085008 P\n0.702135 0.409081 0.417424 P\n0.612770 0.566907 0.744845 P\n0.112770 0.933093 0.255155 P\n0.297865 0.590919 0.582576 P\n0.797865 0.909081 0.417424 P\n0.764067 0.726112 0.085008 P\n0.887230 0.066907 0.744845 P\n0.043852 0.047426 0.833581 O\n0.797978 0.057234 0.390617 O\n0.628276 0.859640 0.356531 O\n0.712968 0.360466 0.001192 O\n0.802731 0.844619 0.537861 O\n0.990720 0.135489 0.630437 O\n0.490720 0.364511 0.369563 O\n0.271184 0.365787 0.993982 O\n0.287032 0.639534 0.998808 O\n0.297978 0.442766 0.609383 O\n0.918480 0.234237 0.159628 O\n0.371724 0.140360 0.643469 O\n0.724596 0.165285 0.757907 O\n0.548440 0.180021 0.154999 O\n0.228816 0.865787 0.993982 O\n0.204213 0.061717 0.268759 O\n0.202022 0.942766 0.609383 O\n0.771184 0.134213 0.006018 O\n0.302731 0.655381 0.462139 O\n0.128276 0.640360 0.643469 O\n0.871724 0.359640 0.356531 O\n0.456148 0.547426 0.833581 O\n0.009280 0.864511 0.369563 O\n0.048440 0.319979 0.845001 O\n0.197269 0.155381 0.462139 O\n0.509280 0.635489 0.630437 O\n0.787032 0.860466 0.001192 O\n0.702022 0.557234 0.390617 O\n0.581520 0.734237 0.159628 O\n0.728816 0.634213 0.006018 O\n0.295787 0.561717 0.268759 O\n0.275404 0.834715 0.242093 O\n0.775404 0.665285 0.757907 O\n0.543852 0.452574 0.166419 O\n0.704213 0.438283 0.731241 O\n0.212968 0.139534 0.998808 O\n0.951560 0.680021 0.154999 O\n0.956148 0.952574 0.166419 O\n0.697269 0.344619 0.537861 O\n0.081520 0.765763 0.840372 O\n0.451560 0.819979 0.845001 O\n0.795787 0.938283 0.731241 O\n0.224596 0.334715 0.242093 O\n0.418480 0.265763 0.840372 O\n","nsites":74,"nelements":4,"elements":["Na","Ni","P","O"],"chemical_system":"Na-Ni-O-P","density":3.506735395265957,"density_atomic":0.08463183237903658,"volume":874.3754911104808,"volume_molar":7.115692276434383,"formula_full":"Na8 Ni10 P12 O44","formula_reduced":"Na4Ni5(P3O11)2","formula_anonymous":"A4B5C6D22","energy":-524.30360484,"energy_per_atom":-7.08518384918919,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-468.66560484,"band_gap":3.664400000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9996534,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.961000Z","spacegroup":14},{"id":"mp-1177108","created_at":"2022-09-04T14:48:24.252357Z","structure_string":"Li5 Fe4 Si6 O20\n1.0\n5.431483 0.000000 0.000000\n-2.677195 4.742383 0.000000\n-1.425240 -0.873551 16.845870\nLi Fe Si O\n5 4 6 20\ndirect\n0.616638 0.434014 0.769554 Li\n0.499828 0.332852 0.442559 Li\n0.491232 0.666718 0.552923 Li\n0.391137 0.579351 0.247104 Li\n0.501701 0.846624 0.047521 Li\n0.180389 0.003267 0.579568 Fe\n0.192381 0.178315 0.081493 Fe\n0.814660 0.811820 0.912422 Fe\n0.797431 0.000960 0.410361 Fe\n0.004588 0.136633 0.749205 Si\n0.848000 0.331433 0.602278 Si\n0.156939 0.463156 0.901807 Si\n0.856699 0.518264 0.097316 Si\n0.146830 0.680412 0.404764 Si\n0.997587 0.863168 0.249014 Si\n0.209239 0.102153 0.691328 O\n0.187712 0.134705 0.196966 O\n0.822863 0.271812 0.699059 O\n0.881208 0.507673 0.890929 O\n0.847270 0.056548 0.559636 O\n0.086564 0.187846 0.955759 O\n0.559374 0.338273 0.567427 O\n0.565230 0.227231 0.066174 O\n0.849738 0.389967 0.409187 O\n0.232697 0.386212 0.815487 O\n0.818198 0.576699 0.188955 O\n0.136255 0.628924 0.590000 O\n0.448602 0.738572 0.938275 O\n0.422809 0.647307 0.435859 O\n0.879288 0.792754 0.049303 O\n0.148526 0.947142 0.454617 O\n0.157895 0.516595 0.092511 O\n0.200449 0.781927 0.310933 O\n0.795954 0.865042 0.796649 O\n0.760978 0.883710 0.294813 O\n","nsites":35,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":2.8570671290465355,"density_atomic":0.08066024739603517,"volume":433.9188277981951,"volume_molar":7.4660578840426615,"formula_full":"Li5 Fe4 Si6 O20","formula_reduced":"Li5Fe4(Si3O10)2","formula_anonymous":"A4B5C6D20","energy":-267.07504837,"energy_per_atom":-7.630715667714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-244.31104837,"band_gap":1.4691999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.0760172,"is_theoretical":true,"updated_at":"2021-11-28T01:39:25.984000Z","spacegroup":1},{"id":"mp-778120","created_at":"2022-09-04T14:46:13.095509Z","structure_string":"Li5 Mn4 Si6 O20\n1.0\n5.446057 0.015120 0.179028\n-2.635952 4.779498 -0.181727\n-2.059514 1.210241 16.184446\nLi Mn Si O\n5 4 6 20\ndirect\n0.406401 0.795808 0.771848 Li\n0.333024 0.840501 0.443839 Li\n0.666731 0.160442 0.556867 Li\n0.588204 0.195248 0.235885 Li\n0.853889 0.358600 0.049482 Li\n0.993172 0.799719 0.582014 Mn\n0.197894 0.011646 0.079334 Mn\n0.797683 0.979709 0.917281 Mn\n0.006706 0.205937 0.416870 Mn\n0.116722 0.120384 0.751252 Si\n0.331736 0.470758 0.598881 Si\n0.475058 0.321291 0.903505 Si\n0.517101 0.667361 0.095534 Si\n0.670980 0.531974 0.402501 Si\n0.882431 0.877969 0.248375 Si\n0.085362 0.876973 0.694518 O\n0.155575 0.956096 0.197204 O\n0.227353 0.422095 0.695004 O\n0.490906 0.629019 0.889304 O\n0.071473 0.210005 0.546777 O\n0.209171 0.121194 0.963022 O\n0.356399 0.774030 0.565824 O\n0.218271 0.653621 0.068617 O\n0.378385 0.543959 0.403738 O\n0.379292 0.160242 0.816211 O\n0.610302 0.817430 0.184752 O\n0.626230 0.462556 0.595791 O\n0.760727 0.317258 0.936807 O\n0.641325 0.226302 0.434434 O\n0.778334 0.896073 0.038151 O\n0.932398 0.790410 0.455024 O\n0.533640 0.370546 0.103795 O\n0.782987 0.582274 0.306916 O\n0.845049 0.054570 0.801135 O\n0.909283 0.124668 0.302758 O\n","nsites":35,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.9075611097237535,"density_atomic":0.08248660506016953,"volume":424.3113166612857,"volume_molar":7.3007499285577016,"formula_full":"Li5 Mn4 Si6 O20","formula_reduced":"Li5Mn4(Si3O10)2","formula_anonymous":"A4B5C6D20","energy":-272.46109018,"energy_per_atom":-7.784602576571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-252.04909018,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.9996311,"is_theoretical":true,"updated_at":"2021-11-28T01:37:24.430000Z","spacegroup":1},{"id":"mp-1195975","created_at":"2022-09-04T14:41:05.140158Z","structure_string":"Mn10 P8 H12 O40\n1.0\n0.000000 9.186272 0.000000\n-0.264041 0.000000 9.321043\n8.729250 -4.593136 -1.215522\nMn P H O\n10 8 12 40\ndirect\n0.154850 0.883743 0.359198 Mn\n0.795652 0.616257 0.640802 Mn\n0.845150 0.116257 0.640802 Mn\n0.204348 0.383743 0.359198 Mn\n0.772046 0.823894 0.387141 Mn\n0.384905 0.676106 0.612859 Mn\n0.227954 0.176106 0.612859 Mn\n0.615095 0.323894 0.387141 Mn\n0.100072 0.750000 0.000000 Mn\n0.899928 0.250000 0.000000 Mn\n0.901773 0.137949 0.321344 P\n0.580429 0.362051 0.678655 P\n0.098227 0.862051 0.678655 P\n0.419571 0.637949 0.321344 P\n0.899875 0.605910 0.175339 P\n0.724536 0.894090 0.824661 P\n0.100125 0.394090 0.824661 P\n0.275464 0.105910 0.175339 P\n0.702376 0.488721 0.954577 H\n0.747799 0.011279 0.045423 H\n0.297624 0.511279 0.045423 H\n0.252201 0.988721 0.954577 H\n0.486644 0.778511 0.141503 H\n0.345141 0.721489 0.858497 H\n0.513356 0.221489 0.858497 H\n0.654859 0.278511 0.141503 H\n0.606295 0.852155 0.083997 H\n0.522297 0.647845 0.916003 H\n0.393705 0.147845 0.916003 H\n0.477702 0.352155 0.083997 H\n0.937471 0.973516 0.331081 O\n0.606390 0.526484 0.668919 O\n0.062529 0.026484 0.668919 O\n0.393610 0.473516 0.331081 O\n0.808797 0.161101 0.149795 O\n0.659002 0.338899 0.850205 O\n0.191203 0.838899 0.850205 O\n0.340998 0.661101 0.149795 O\n0.802013 0.181415 0.405617 O\n0.396396 0.318585 0.594383 O\n0.197987 0.818585 0.594383 O\n0.603604 0.681415 0.405617 O\n0.070998 0.229198 0.403591 O\n0.667406 0.270802 0.596409 O\n0.929002 0.770802 0.596409 O\n0.332594 0.729198 0.403591 O\n0.017264 0.723055 0.168045 O\n0.849219 0.776945 0.831955 O\n0.982736 0.276945 0.831955 O\n0.150781 0.223055 0.168045 O\n0.866525 0.662015 0.308515 O\n0.558010 0.837985 0.691485 O\n0.133475 0.337985 0.691485 O\n0.441990 0.162015 0.308515 O\n0.729122 0.589269 0.020976 O\n0.708147 0.910731 0.979024 O\n0.270878 0.410731 0.979024 O\n0.291853 0.089269 0.020976 O\n0.971803 0.455140 0.177512 O\n0.794291 0.044860 0.822488 O\n0.028197 0.544860 0.822488 O\n0.205709 0.955140 0.177512 O\n0.291613 0.034520 0.503858 O\n0.787755 0.465480 0.496142 O\n0.708387 0.965480 0.496142 O\n0.212245 0.534520 0.503858 O\n0.581100 0.849882 0.170182 O\n0.410918 0.650118 0.829818 O\n0.418900 0.150118 0.829818 O\n0.589082 0.349882 0.170182 O\n","nsites":70,"nelements":4,"elements":["Mn","P","H","O"],"chemical_system":"H-Mn-O-P","density":3.2324043215033225,"density_atomic":0.09402292586631872,"volume":744.4992735019289,"volume_molar":6.40497060106622,"formula_full":"Mn10 P8 H12 O40","formula_reduced":"Mn5P4(H3O10)2","formula_anonymous":"A4B5C6D20","energy":-519.76852949,"energy_per_atom":-7.425264707,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-475.60852949,"band_gap":0.2578,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":42.0037031,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.780000Z","spacegroup":15},{"id":"mp-849656","created_at":"2022-09-04T14:40:12.134489Z","structure_string":"Li5 Co4 Si6 O20\n1.0\n5.341272 0.000000 0.000000\n-2.645188 4.722654 0.000000\n-0.056569 -1.406998 16.993013\nLi Co Si O\n5 4 6 20\ndirect\n0.157801 0.593954 0.761261 Li\n0.172032 0.508144 0.446242 Li\n0.819409 0.494180 0.551777 Li\n0.836919 0.394635 0.249571 Li\n0.663967 0.498721 0.045952 Li\n0.173110 0.175654 0.581417 Co\n0.013231 0.185610 0.082673 Co\n0.009361 0.824948 0.911910 Co\n0.812748 0.808670 0.408778 Co\n0.862075 0.001715 0.748777 Si\n0.510501 0.841886 0.602015 Si\n0.700292 0.173417 0.901965 Si\n0.328644 0.839941 0.098295 Si\n0.471335 0.154217 0.403814 Si\n0.142124 0.999051 0.249922 Si\n0.099849 0.215498 0.691646 O\n0.045964 0.187421 0.198687 O\n0.543577 0.821086 0.698604 O\n0.796032 0.854992 0.561198 O\n0.219060 0.556803 0.566872 O\n0.376421 0.901773 0.897308 O\n0.911397 0.099347 0.954484 O\n0.329128 0.543732 0.069505 O\n0.474470 0.859072 0.413088 O\n0.833484 0.227871 0.813545 O\n0.239773 0.809107 0.190121 O\n0.496068 0.133975 0.588512 O\n0.712527 0.467157 0.935524 O\n0.069656 0.862630 0.051656 O\n0.632602 0.131811 0.088669 O\n0.770991 0.434426 0.437403 O\n0.192835 0.148903 0.449486 O\n0.436000 0.200207 0.308113 O\n0.935454 0.792625 0.795100 O\n0.892082 0.766111 0.298162 O\n","nsites":35,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":2.940049411418596,"density_atomic":0.08165200085127802,"volume":428.64840585779933,"volume_molar":7.375374390357932,"formula_full":"Li5 Co4 Si6 O20","formula_reduced":"Li5Co4(Si3O10)2","formula_anonymous":"A4B5C6D20","energy":-257.04062184,"energy_per_atom":-7.344017766857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.74862184,"band_gap":0.1757999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.09414,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.830000Z","spacegroup":1},{"id":"mp-744239","created_at":"2022-09-04T14:40:06.915695Z","structure_string":"Fe10 P8 H12 O40\n1.0\n4.438323 8.866686 0.000000\n-4.438323 8.866686 0.000000\n0.000000 1.083070 9.183642\nFe P H O\n10 8 12 40\ndirect\n0.103724 0.896276 0.750000 Fe\n0.896276 0.103724 0.250000 Fe\n0.762154 0.612964 0.682829 Fe\n0.387036 0.237846 0.817171 Fe\n0.237846 0.387036 0.317171 Fe\n0.612964 0.762154 0.182829 Fe\n0.151954 0.179345 0.614199 Fe\n0.820655 0.848046 0.885801 Fe\n0.848046 0.820655 0.385801 Fe\n0.179345 0.151954 0.114199 Fe\n0.884146 0.278438 0.889620 P\n0.721562 0.115854 0.610380 P\n0.115854 0.721562 0.110381 P\n0.278438 0.884146 0.389620 P\n0.411964 0.899162 0.858131 P\n0.100838 0.588036 0.641869 P\n0.588036 0.100838 0.141869 P\n0.899162 0.411964 0.358131 P\n0.625739 0.457765 0.627634 H\n0.542235 0.374261 0.872366 H\n0.374261 0.542235 0.372366 H\n0.457765 0.625739 0.127634 H\n0.487690 0.644766 0.705640 H\n0.355234 0.512310 0.794360 H\n0.512310 0.355234 0.294360 H\n0.644766 0.487690 0.205640 H\n0.401761 0.169793 0.521048 H\n0.830207 0.598239 0.978952 H\n0.598239 0.830207 0.478952 H\n0.169793 0.401761 0.021048 H\n0.336136 0.812867 0.820197 O\n0.187133 0.663864 0.679803 O\n0.663864 0.187133 0.179803 O\n0.812867 0.336136 0.320197 O\n0.012575 0.149928 0.770714 O\n0.850072 0.987425 0.729286 O\n0.987425 0.850072 0.229286 O\n0.149928 0.012575 0.270714 O\n0.721171 0.301157 0.906268 O\n0.698843 0.278829 0.593732 O\n0.278829 0.698843 0.093732 O\n0.301157 0.721171 0.406268 O\n0.978012 0.199830 0.038258 O\n0.800170 0.021988 0.461742 O\n0.021988 0.800170 0.961742 O\n0.199830 0.978012 0.538258 O\n0.869876 0.442780 0.844578 O\n0.557220 0.130124 0.655422 O\n0.130124 0.557220 0.155422 O\n0.442780 0.869876 0.344578 O\n0.390343 0.937493 0.024401 O\n0.062507 0.609657 0.475599 O\n0.609657 0.062507 0.975599 O\n0.937493 0.390343 0.524401 O\n0.592853 0.575937 0.643322 O\n0.424063 0.407147 0.856678 O\n0.407147 0.424063 0.356678 O\n0.575937 0.592853 0.143322 O\n0.327462 0.075540 0.770836 O\n0.924460 0.672538 0.729164 O\n0.672538 0.924460 0.229164 O\n0.075540 0.327462 0.270836 O\n0.299391 0.206012 0.473765 O\n0.793988 0.700609 0.026235 O\n0.700609 0.793988 0.526235 O\n0.206012 0.299391 0.973765 O\n0.601550 0.793172 0.815469 O\n0.206828 0.398450 0.684531 O\n0.398450 0.206828 0.184531 O\n0.793172 0.601550 0.315469 O\n","nsites":70,"nelements":4,"elements":["Fe","P","H","O"],"chemical_system":"Fe-H-O-P","density":3.350226627730835,"density_atomic":0.09684403254594928,"volume":722.8117020714449,"volume_molar":6.2183911612134635,"formula_full":"Fe10 P8 H12 O40","formula_reduced":"Fe5P4(H3O10)2","formula_anonymous":"A4B5C6D20","energy":-504.57448066,"energy_per_atom":-7.2082068665714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-454.53448066,"band_gap":1.4431000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0001369,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.004000Z","spacegroup":15},{"id":"mp-1210654","created_at":"2022-09-04T14:42:22.448812Z","structure_string":"Na15 Ca12 Si18 O54\n1.0\n5.324563 -9.222413 0.000000\n5.324563 9.222413 0.000000\n0.000000 0.000000 13.377042\nNa Ca Si O\n15 12 18 54\ndirect\n0.192250 0.488432 0.830913 Na\n0.296182 0.807750 0.497580 Na\n0.511568 0.703818 0.164247 Na\n0.997689 0.666820 0.401055 Na\n0.669131 0.002311 0.067722 Na\n0.333180 0.330869 0.734389 Na\n0.482514 0.651110 0.664370 Na\n0.168596 0.517486 0.331037 Na\n0.348890 0.831404 0.997704 Na\n0.817022 0.837159 0.990260 Na\n0.020137 0.182978 0.656927 Na\n0.162841 0.979863 0.323593 Na\n0.841610 0.308765 0.994422 Na\n0.467155 0.158390 0.661089 Na\n0.691235 0.532845 0.327755 Na\n0.848847 0.342416 0.488893 Ca\n0.493569 0.151153 0.155559 Ca\n0.657584 0.506431 0.822226 Ca\n0.832993 0.851490 0.479998 Ca\n0.018497 0.167007 0.146665 Ca\n0.148510 0.981503 0.813331 Ca\n0.648600 0.002127 0.575976 Ca\n0.353527 0.351400 0.242643 Ca\n0.997873 0.646473 0.909310 Ca\n0.977009 0.643160 0.651627 Ca\n0.666151 0.022991 0.318294 Ca\n0.356840 0.333849 0.984961 Ca\n0.819406 0.288430 0.762833 Si\n0.469025 0.180594 0.429500 Si\n0.711570 0.530975 0.096166 Si\n0.490589 0.653741 0.428539 Si\n0.163152 0.509411 0.095205 Si\n0.346259 0.836848 0.761872 Si\n0.516782 0.705450 0.891579 Si\n0.188668 0.483218 0.558245 Si\n0.294550 0.811332 0.224912 Si\n0.517489 0.138945 0.882524 Si\n0.621456 0.482511 0.549191 Si\n0.861055 0.378544 0.215857 Si\n0.987863 0.156412 0.883908 Si\n0.168549 0.012137 0.550575 Si\n0.843588 0.831451 0.217241 Si\n0.815287 0.854598 0.752155 Si\n0.039311 0.184713 0.418822 Si\n0.145402 0.960689 0.085489 Si\n0.863369 0.105283 0.433754 O\n0.241914 0.136631 0.100421 O\n0.894717 0.758086 0.767088 O\n0.667450 0.173697 0.821869 O\n0.506247 0.332550 0.488536 O\n0.826303 0.493753 0.155202 O\n0.777734 0.939525 0.209182 O\n0.161791 0.222266 0.875848 O\n0.060475 0.838209 0.542515 O\n0.584539 0.830713 0.436074 O\n0.246173 0.415461 0.102741 O\n0.169287 0.753827 0.769408 O\n0.554658 0.777729 0.000304 O\n0.223071 0.445342 0.666970 O\n0.222271 0.776929 0.333637 O\n0.812202 0.231433 0.648281 O\n0.419231 0.187798 0.314948 O\n0.768567 0.580769 0.981614 O\n0.928495 0.008901 0.810501 O\n0.080406 0.071505 0.477168 O\n0.991099 0.919594 0.143835 O\n0.399655 0.744105 0.834193 O\n0.344449 0.600345 0.500860 O\n0.255895 0.655551 0.167527 O\n0.788358 0.523623 0.527864 O\n0.735265 0.211642 0.194531 O\n0.476377 0.264735 0.861198 O\n0.779204 0.891632 0.641606 O\n0.112428 0.220796 0.308272 O\n0.108368 0.887572 0.974939 O\n0.948644 0.271427 0.824896 O\n0.322783 0.051356 0.491563 O\n0.728573 0.677217 0.158229 O\n0.451517 0.531932 0.878859 O\n0.080415 0.548483 0.545526 O\n0.468068 0.919585 0.212192 O\n0.521211 0.089663 0.996485 O\n0.568453 0.478789 0.663152 O\n0.910337 0.431547 0.329818 O\n0.607273 0.613287 0.486346 O\n0.006014 0.392727 0.153013 O\n0.386713 0.993986 0.819679 O\n0.427881 0.870084 0.654618 O\n0.442203 0.572119 0.321285 O\n0.129916 0.557797 0.987951 O\n0.909357 0.113703 0.992150 O\n0.204346 0.090643 0.658817 O\n0.886297 0.795654 0.325483 O\n0.857779 0.455994 0.782117 O\n0.598215 0.142221 0.448784 O\n0.544006 0.401785 0.115450 O\n0.665506 0.773033 0.819648 O\n0.107527 0.334494 0.486314 O\n0.226967 0.892473 0.152981 O\n","nsites":99,"nelements":4,"elements":["Na","Ca","Si","O"],"chemical_system":"Ca-Na-O-Si","density":2.7747394131267598,"density_atomic":0.07535578031754275,"volume":1313.7678301893038,"volume_molar":7.991610908444207,"formula_full":"Na15 Ca12 Si18 O54","formula_reduced":"Na5Ca4(SiO3)6","formula_anonymous":"A4B5C6D18","energy":-707.60143178,"energy_per_atom":-7.14748920989899,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-670.50343178,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4971822,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.175000Z","spacegroup":144},{"id":"mp-1210357","created_at":"2022-09-04T14:44:20.294123Z","structure_string":"Na10 Mn8 Si12 O36\n1.0\n7.503764 0.000000 0.000000\n0.000000 10.424151 0.000000\n0.000000 0.000000 10.458806\nNa Mn Si O\n10 8 12 36\ndirect\n0.249660 0.302542 0.000000 Na\n0.750340 0.802542 0.500000 Na\n0.272950 0.531317 0.264621 Na\n0.727050 0.031317 0.235379 Na\n0.727050 0.031317 0.764621 Na\n0.272950 0.531317 0.735379 Na\n0.231383 0.062558 0.261996 Na\n0.768617 0.562558 0.238004 Na\n0.768617 0.562558 0.761996 Na\n0.231383 0.062558 0.738004 Na\n0.490015 0.038806 0.000000 Mn\n0.509985 0.538806 0.500000 Mn\n0.745193 0.797707 0.000000 Mn\n0.254807 0.297708 0.500000 Mn\n0.229677 0.794770 0.000000 Mn\n0.770323 0.294770 0.500000 Mn\n0.004908 0.552575 0.000000 Mn\n0.995092 0.052575 0.500000 Mn\n0.995533 0.074741 0.000000 Si\n0.004467 0.574741 0.500000 Si\n0.030097 0.791776 0.274596 Si\n0.969903 0.291776 0.225404 Si\n0.969903 0.291776 0.774596 Si\n0.030097 0.791776 0.725404 Si\n0.533080 0.305146 0.226475 Si\n0.466920 0.805146 0.273525 Si\n0.466920 0.805146 0.726475 Si\n0.533080 0.305146 0.773525 Si\n0.503572 0.521210 0.000000 Si\n0.496428 0.021210 0.500000 Si\n0.465244 0.170773 0.164264 O\n0.534756 0.670773 0.335736 O\n0.534756 0.670773 0.664264 O\n0.465244 0.170773 0.835736 O\n0.316176 0.603279 0.000000 O\n0.683824 0.103279 0.500000 O\n0.801962 0.006202 0.000000 O\n0.198038 0.506202 0.500000 O\n0.751561 0.300595 0.247643 O\n0.248439 0.800595 0.252357 O\n0.248439 0.800595 0.747643 O\n0.751561 0.300595 0.752357 O\n0.041638 0.422986 0.160487 O\n0.958362 0.922986 0.339513 O\n0.958362 0.922986 0.660487 O\n0.041638 0.422986 0.839513 O\n0.183146 0.992676 0.000000 O\n0.816854 0.492676 0.500000 O\n0.040758 0.243221 0.365176 O\n0.959242 0.743221 0.134824 O\n0.959242 0.743221 0.865176 O\n0.040758 0.243221 0.634824 O\n0.459864 0.357778 0.363374 O\n0.540136 0.857778 0.136626 O\n0.540136 0.857778 0.863374 O\n0.459864 0.357778 0.636626 O\n0.697355 0.589533 0.000000 O\n0.302645 0.089533 0.500000 O\n0.011317 0.169676 0.127153 O\n0.988683 0.669676 0.372847 O\n0.988683 0.669676 0.627153 O\n0.011317 0.169676 0.872847 O\n0.488596 0.424301 0.125618 O\n0.511404 0.924301 0.374382 O\n0.511404 0.924301 0.625618 O\n0.488596 0.424301 0.874382 O\n","nsites":66,"nelements":4,"elements":["Na","Mn","Si","O"],"chemical_system":"Mn-Na-O-Si","density":3.21192336703509,"density_atomic":0.08067555611512284,"volume":818.0916646650562,"volume_molar":7.464641150296495,"formula_full":"Na10 Mn8 Si12 O36","formula_reduced":"Na5Mn4(SiO3)6","formula_anonymous":"A4B5C6D18","energy":-503.8696439,"energy_per_atom":-7.634388543939394,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-465.7936439,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.4003635,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.771000Z","spacegroup":31},{"id":"mp-1214164","created_at":"2022-09-04T14:45:13.835123Z","structure_string":"Ca4 Si6 W5 O17\n1.0\n0.051031 0.000000 6.787756\n-6.261148 0.000000 2.660855\n-3.130574 -11.626284 1.330427\nCa Si W O\n4 6 5 17\ndirect\n0.183365 0.981780 0.404094 Ca\n0.183365 0.385873 0.595906 Ca\n0.689392 0.898528 0.568574 Ca\n0.689392 0.467102 0.431426 Ca\n0.224104 0.806885 0.678496 Si\n0.224104 0.485381 0.321504 Si\n0.005482 0.940107 0.136390 Si\n0.005482 0.076496 0.863610 Si\n0.640816 0.071800 0.311700 Si\n0.640816 0.383500 0.688300 Si\n0.725744 0.783952 0.848696 W\n0.725744 0.632648 0.151304 W\n0.022486 0.398209 0.000000 W\n0.429412 0.038288 0.000000 W\n0.493121 0.493930 0.000000 W\n0.422422 0.294865 0.272278 O\n0.422422 0.567142 0.727722 O\n0.308674 0.993158 0.596315 O\n0.308674 0.589472 0.403685 O\n0.139950 0.086738 0.148746 O\n0.139950 0.235484 0.851254 O\n0.061674 0.764664 0.606474 O\n0.061674 0.371137 0.393526 O\n0.793012 0.109785 0.393335 O\n0.793012 0.503120 0.606665 O\n0.110119 0.880002 0.796863 O\n0.110119 0.676865 0.203137 O\n0.569669 0.868908 0.385171 O\n0.569669 0.254078 0.614829 O\n0.763609 0.025517 0.190593 O\n0.763609 0.216110 0.809407 O\n0.980118 0.957274 0.000000 O\n","nsites":32,"nelements":4,"elements":["Ca","Si","W","O"],"chemical_system":"Ca-O-Si-W","density":5.092023768618939,"density_atomic":0.06455702173107482,"volume":495.6858160728417,"volume_molar":9.328405491019135,"formula_full":"Ca4 Si6 W5 O17","formula_reduced":"Ca4Si6W5O17","formula_anonymous":"A4B5C6D17","energy":-254.09139869,"energy_per_atom":-7.9403562090625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-220.22239869,"band_gap":0.3426999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0003634,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.544000Z","spacegroup":8},{"id":"mp-1195517","created_at":"2022-09-04T14:41:04.651621Z","structure_string":"Yb5 Al17 Fe4 Si6\n1.0\n11.581658 0.000000 0.000000\n0.000000 11.581658 0.000000\n0.000000 0.000000 4.020913\nYb Al Fe Si\n5 17 4 6\ndirect\n0.258118 0.500000 0.000000 Yb\n0.741882 0.500000 0.000000 Yb\n0.500000 0.741882 0.000000 Yb\n0.500000 0.258118 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.202840 0.202840 0.000000 Al\n0.797160 0.797160 0.000000 Al\n0.202840 0.797160 0.000000 Al\n0.797160 0.202840 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.112365 0.372075 0.500000 Al\n0.887635 0.627925 0.500000 Al\n0.112365 0.627925 0.500000 Al\n0.887635 0.372075 0.500000 Al\n0.372075 0.887635 0.500000 Al\n0.627925 0.112365 0.500000 Al\n0.372075 0.112365 0.500000 Al\n0.627925 0.887635 0.500000 Al\n0.328972 0.328972 0.500000 Al\n0.671028 0.671028 0.500000 Al\n0.328972 0.671028 0.500000 Al\n0.671028 0.328972 0.500000 Al\n0.296168 0.000000 0.000000 Fe\n0.703832 0.000000 0.000000 Fe\n0.000000 0.703832 0.000000 Fe\n0.000000 0.296168 0.000000 Fe\n0.179975 0.000000 0.500000 Si\n0.820025 0.000000 0.500000 Si\n0.000000 0.820025 0.500000 Si\n0.000000 0.179975 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n","nsites":32,"nelements":4,"elements":["Yb","Al","Fe","Si"],"chemical_system":"Al-Fe-Si-Yb","density":5.282558752939277,"density_atomic":0.05933129522728549,"volume":539.3443692306877,"volume_molar":10.150024092564419,"formula_full":"Yb5 Al17 Fe4 Si6","formula_reduced":"Yb5Al17(Fe2Si3)2","formula_anonymous":"A4B5C6D17","energy":-146.37444682,"energy_per_atom":-4.574201463125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.80044682,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058009,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.320000Z","spacegroup":123},{"id":"mp-1223803","created_at":"2022-09-04T14:40:19.837369Z","structure_string":"K6 Zn4 Sn5 S17\n1.0\n9.909119 4.940753 0.000000\n-9.909119 4.940753 0.000000\n0.000000 4.878994 9.887439\nK Zn Sn S\n6 4 5 17\ndirect\n0.250305 0.749695 0.500000 K\n0.583504 0.416496 0.000000 K\n0.508408 0.004044 0.981791 K\n0.995956 0.491592 0.018209 K\n0.990641 0.009359 0.500000 K\n0.508379 0.491621 0.500000 K\n0.025059 0.386807 0.362098 Zn\n0.750421 0.387623 0.636537 Zn\n0.613193 0.974941 0.637902 Zn\n0.612377 0.249579 0.363463 Zn\n0.998855 0.001145 0.000000 Sn\n0.974114 0.696208 0.276571 Sn\n0.971805 0.248796 0.723052 Sn\n0.751204 0.028195 0.276948 Sn\n0.303792 0.025886 0.723429 Sn\n0.171312 0.664500 0.222397 S\n0.886249 0.394916 0.778542 S\n0.886257 0.664272 0.506866 S\n0.171335 0.394980 0.493621 S\n0.605020 0.828665 0.506379 S\n0.335728 0.113743 0.493134 S\n0.605084 0.113751 0.221458 S\n0.335500 0.828688 0.777603 S\n0.139698 0.996053 0.143557 S\n0.139504 0.283178 0.856054 S\n0.716822 0.860496 0.143946 S\n0.003947 0.860302 0.856443 S\n0.741863 0.520982 0.220995 S\n0.743078 0.964606 0.779256 S\n0.035394 0.256922 0.220744 S\n0.479018 0.258137 0.779005 S\n0.749976 0.250024 0.500000 S\n","nsites":32,"nelements":4,"elements":["K","Zn","Sn","S"],"chemical_system":"K-S-Sn-Zn","density":2.8040980228766172,"density_atomic":0.03305277890241072,"volume":968.1485509730035,"volume_molar":18.21977140796707,"formula_full":"K6 Zn4 Sn5 S17","formula_reduced":"K6Zn4Sn5S17","formula_anonymous":"A4B5C6D17","energy":-136.42912314,"energy_per_atom":-4.263410098125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.87812314,"band_gap":1.6338,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.43e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.962000Z","spacegroup":5}]}