{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=48","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=46","results":[{"id":"mp-768591","created_at":"2022-09-04T14:46:00.144821Z","structure_string":"Li4 Nb3 Fe5 O16\n1.0\n3.052361 5.308859 0.000000\n-3.052361 5.308859 0.000000\n0.000000 0.083431 9.846212\nLi Nb Fe O\n4 3 5 16\ndirect\n0.671478 0.671478 0.900004 Li\n0.005261 0.005261 0.001796 Li\n0.012463 0.012463 0.491766 Li\n0.336061 0.336061 0.382783 Li\n0.827249 0.827249 0.217804 Nb\n0.663536 0.168667 0.715418 Nb\n0.168667 0.663536 0.715418 Nb\n0.824165 0.340452 0.213143 Fe\n0.654761 0.654761 0.486626 Fe\n0.340452 0.824165 0.213143 Fe\n0.170738 0.170738 0.718903 Fe\n0.323238 0.323238 0.002741 Fe\n0.830049 0.313113 0.604675 O\n0.515625 0.515625 0.327110 O\n0.670780 0.670780 0.101233 O\n0.997274 0.997274 0.308428 O\n0.989769 0.989769 0.819591 O\n0.313113 0.830049 0.604675 O\n0.966694 0.521272 0.332380 O\n0.521272 0.966694 0.332380 O\n0.160849 0.160849 0.100186 O\n0.839118 0.839118 0.604934 O\n0.490787 0.047722 0.844860 O\n0.047722 0.490787 0.844860 O\n0.346252 0.346252 0.598810 O\n0.669913 0.156447 0.097433 O\n0.486581 0.486581 0.830716 O\n0.156447 0.669913 0.097433 O\n","nsites":28,"nelements":4,"elements":["Li","Nb","Fe","O"],"chemical_system":"Fe-Li-Nb-O","density":4.37995255813318,"density_atomic":0.08774487638018581,"volume":319.10695136978785,"volume_molar":6.863239209440491,"formula_full":"Li4 Nb3 Fe5 O16","formula_reduced":"Li4Nb3Fe5O16","formula_anonymous":"A3B4C5D16","energy":-223.16131094,"energy_per_atom":-7.970046819285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.88931094,"band_gap":1.1055,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.000037,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.628000Z","spacegroup":8},{"id":"mp-1201992","created_at":"2022-09-04T14:46:00.042101Z","structure_string":"La2 V2 H4 I8 O30\n1.0\n14.283865 0.000000 0.000000\n0.000000 7.254075 0.000000\n0.000000 3.166019 6.643195\nLa V H I O\n2 2 4 8 30\ndirect\n0.743845 0.085365 0.569085 La\n0.243845 0.914635 0.430915 La\n0.571621 0.570907 0.216460 V\n0.071621 0.429093 0.783540 V\n0.943259 0.830157 0.375146 H\n0.443259 0.169843 0.624854 H\n0.030699 0.770586 0.285299 H\n0.530699 0.229414 0.714701 H\n0.610109 0.145753 0.070701 I\n0.110109 0.854247 0.929299 I\n0.497847 0.748964 0.697712 I\n0.997847 0.251036 0.302288 I\n0.835077 0.474508 0.766277 I\n0.335077 0.525492 0.233723 I\n0.801370 0.744348 0.132754 I\n0.301370 0.255652 0.867246 I\n0.653928 0.199065 0.819269 O\n0.153928 0.800935 0.180731 O\n0.719787 0.089013 0.213243 O\n0.219787 0.910987 0.786757 O\n0.591342 0.416343 0.009594 O\n0.091342 0.583657 0.990406 O\n0.589323 0.940117 0.584156 O\n0.089323 0.059883 0.415844 O\n0.493237 0.757293 0.945358 O\n0.993237 0.242707 0.054642 O\n0.899168 0.080309 0.418045 O\n0.399168 0.919691 0.581955 O\n0.771387 0.712370 0.643610 O\n0.271387 0.287630 0.356390 O\n0.954161 0.592197 0.717754 O\n0.454161 0.407803 0.282246 O\n0.829168 0.391842 0.563303 O\n0.329168 0.608158 0.436697 O\n0.843767 0.521116 0.104139 O\n0.343767 0.478884 0.895861 O\n0.676131 0.748877 0.048794 O\n0.176131 0.251123 0.951206 O\n0.837236 0.949339 0.894626 O\n0.337236 0.050661 0.105374 O\n0.641401 0.387190 0.383495 O\n0.141401 0.612810 0.616505 O\n0.541838 0.723001 0.323866 O\n0.041838 0.276999 0.676134 O\n0.961578 0.764719 0.287903 O\n0.461578 0.235281 0.712097 O\n","nsites":46,"nelements":5,"elements":["La","V","H","I","O"],"chemical_system":"H-I-La-O-V","density":4.532711003956392,"density_atomic":0.06682716733713392,"volume":688.3428077676297,"volume_molar":9.011515825022364,"formula_full":"La2 V2 H4 I8 O30","formula_reduced":"LaVH2I4O15","formula_anonymous":"ABC2D4E15","energy":-269.24559488,"energy_per_atom":-5.853165106086957,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-245.23559488,"band_gap":2.8357,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007163,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.114000Z","spacegroup":4},{"id":"mp-686253","created_at":"2022-09-04T14:46:00.044077Z","structure_string":"K16 Yb8 Ti8 P24 O96\n1.0\n10.316284 0.000000 0.000000\n-0.033300 10.391402 0.000000\n-0.007501 -0.014802 20.689168\nYb K Ti P O\n8 16 8 24 96\ndirect\n0.902152 0.396764 0.699402 Yb\n0.904588 0.393782 0.201474 Yb\n0.827781 0.160206 0.413126 Yb\n0.591600 0.607788 0.949079 Yb\n0.333132 0.327043 0.081119 Yb\n0.334702 0.330142 0.584578 Yb\n0.166566 0.672744 0.831706 Yb\n0.167616 0.668905 0.330525 Yb\n0.955446 0.542918 0.523688 K\n0.951561 0.546466 0.023971 K\n0.819613 0.813118 0.841924 K\n0.824464 0.819178 0.340773 K\n0.681801 0.184949 0.590441 K\n0.680207 0.187400 0.091176 K\n0.547172 0.453501 0.773574 K\n0.547399 0.451750 0.272529 K\n0.452856 0.952750 0.976337 K\n0.454227 0.956810 0.476347 K\n0.315701 0.674891 0.660123 K\n0.317088 0.675509 0.160098 K\n0.177186 0.322434 0.409934 K\n0.183724 0.325187 0.909756 K\n0.047046 0.047716 0.726868 K\n0.046023 0.047964 0.227353 K\n0.835466 0.166070 0.916539 Ti\n0.665075 0.834634 0.667235 Ti\n0.663754 0.833863 0.166345 Ti\n0.604689 0.608814 0.447373 Ti\n0.393970 0.103027 0.803391 Ti\n0.396424 0.104886 0.303628 Ti\n0.108994 0.895842 0.553190 Ti\n0.105724 0.896922 0.053458 Ti\n0.979121 0.721144 0.680353 P\n0.978299 0.721291 0.180702 P\n0.869101 0.474344 0.858562 P\n0.864568 0.491736 0.358898 P\n0.788889 0.867049 0.512186 P\n0.795046 0.882597 0.010870 P\n0.704626 0.117067 0.760909 P\n0.700841 0.112123 0.255138 P\n0.626035 0.529092 0.603409 P\n0.629908 0.525083 0.108372 P\n0.521762 0.278558 0.930568 P\n0.512731 0.294361 0.434506 P\n0.487505 0.797426 0.806257 P\n0.492949 0.793650 0.310832 P\n0.378789 0.008467 0.647126 P\n0.378671 0.008056 0.147908 P\n0.280611 0.636382 0.996641 P\n0.291142 0.631155 0.493159 P\n0.217754 0.363982 0.746982 P\n0.218877 0.362885 0.246095 P\n0.131943 0.987710 0.396127 P\n0.121125 0.991567 0.897126 P\n0.018401 0.201159 0.559750 P\n0.011915 0.203190 0.056669 P\n0.999482 0.545182 0.868101 O\n0.980345 0.581739 0.369249 O\n0.986180 0.583086 0.655802 O\n0.984545 0.582956 0.156482 O\n0.958622 0.270200 0.617780 O\n0.946385 0.278487 0.110551 O\n0.936095 0.831036 0.512459 O\n0.941536 0.843503 0.012503 O\n0.926246 0.225701 0.503279 O\n0.919296 0.215380 0.996159 O\n0.887046 0.328747 0.879046 O\n0.900473 0.355291 0.378613 O\n0.835013 0.764574 0.690767 O\n0.834156 0.765568 0.190134 O\n0.819300 0.483800 0.789423 O\n0.813017 0.497150 0.289823 O\n0.779666 0.222737 0.726037 O\n0.776473 0.221306 0.223718 O\n0.780359 0.008204 0.969990 O\n0.760875 0.986576 0.472358 O\n0.774618 0.541663 0.904577 O\n0.754496 0.545513 0.405386 O\n0.758851 0.093549 0.830540 O\n0.752407 0.073308 0.321006 O\n0.738177 0.888209 0.582706 O\n0.740851 0.904067 0.080658 O\n0.737958 0.461469 0.636829 O\n0.725637 0.458797 0.153504 O\n0.719355 0.991803 0.719127 O\n0.711066 0.993566 0.208414 O\n0.719385 0.778388 0.975935 O\n0.710082 0.755005 0.479791 O\n0.654429 0.529569 0.528844 O\n0.677732 0.517517 0.038771 O\n0.666181 0.234275 0.939810 O\n0.647081 0.246253 0.452934 O\n0.611475 0.670000 0.129601 O\n0.609643 0.670311 0.628416 O\n0.579960 0.783779 0.745954 O\n0.588024 0.780217 0.251848 O\n0.558168 0.156175 0.762531 O\n0.554897 0.153341 0.259234 O\n0.553810 0.722813 0.860171 O\n0.555382 0.714108 0.367470 O\n0.515754 0.416880 0.905889 O\n0.517350 0.441651 0.416237 O\n0.500447 0.453610 0.118312 O\n0.502023 0.454083 0.617050 O\n0.495859 0.912250 0.141604 O\n0.498128 0.915988 0.640450 O\n0.478300 0.941509 0.827879 O\n0.485137 0.937595 0.332493 O\n0.457500 0.185944 0.879671 O\n0.458668 0.214296 0.375730 O\n0.418421 0.691544 0.000449 O\n0.438654 0.670480 0.489171 O\n0.447234 0.257338 0.993349 O\n0.417611 0.269685 0.489857 O\n0.416160 0.138973 0.121669 O\n0.416819 0.139810 0.620928 O\n0.353720 0.746425 0.787702 O\n0.361199 0.741134 0.291926 O\n0.334043 0.015517 0.719279 O\n0.335061 0.014561 0.220500 O\n0.311287 0.255744 0.773318 O\n0.310361 0.252675 0.272453 O\n0.269339 0.520288 0.540241 O\n0.262686 0.518857 0.040624 O\n0.266816 0.946498 0.106627 O\n0.267034 0.946231 0.606091 O\n0.256382 0.402376 0.678423 O\n0.256660 0.398636 0.177351 O\n0.243739 0.600840 0.927442 O\n0.242098 0.597425 0.426130 O\n0.232228 0.053958 0.856025 O\n0.251899 0.044030 0.357828 O\n0.236344 0.480936 0.791629 O\n0.239208 0.478334 0.290865 O\n0.213394 0.748348 0.522406 O\n0.186859 0.744076 0.023389 O\n0.165374 0.984803 0.969451 O\n0.168588 0.980922 0.469755 O\n0.153405 0.249261 0.543011 O\n0.145249 0.253285 0.037615 O\n0.084186 0.859773 0.871368 O\n0.096953 0.854292 0.371873 O\n0.054344 0.743610 0.742869 O\n0.053771 0.743369 0.243097 O\n0.079300 0.310552 0.749317 O\n0.080659 0.309433 0.249567 O\n0.043761 0.811543 0.628194 O\n0.042152 0.813877 0.129624 O\n0.024879 0.053231 0.577473 O\n0.021119 0.058856 0.078192 O\n0.001097 0.083580 0.890565 O\n0.021611 0.082123 0.384513 O\n","nsites":152,"nelements":5,"elements":["Yb","K","Ti","P","O"],"chemical_system":"K-O-P-Ti-Yb","density":3.4980387959854613,"density_atomic":0.0685335338273059,"volume":2217.8923442502896,"volume_molar":8.787144662895802,"formula_full":"K16 Yb8 Ti8 P24 O96","formula_reduced":"K2YbTi(PO4)3","formula_anonymous":"ABC2D3E12","energy":-1143.4160621,"energy_per_atom":-7.522474092763159,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1077.4640621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0038293,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.536000Z","spacegroup":1},{"id":"mp-779369","created_at":"2022-09-04T14:46:00.074837Z","structure_string":"Fe10 O4 F16\n1.0\n4.768956 0.000000 0.000000\n0.000000 8.055294 0.000000\n0.000000 4.803249 9.615680\nFe O F\n10 4 16\ndirect\n0.478869 0.803272 0.787216 Fe\n0.526732 0.376344 0.406435 Fe\n0.500000 0.000000 0.000000 Fe\n0.473268 0.623656 0.593565 Fe\n0.521131 0.196728 0.212784 Fe\n0.973268 0.376344 0.906435 Fe\n0.026732 0.623656 0.093565 Fe\n0.021131 0.803272 0.287216 Fe\n0.000000 0.000000 0.500000 Fe\n0.978869 0.196728 0.712784 Fe\n0.209631 0.822115 0.108192 O\n0.290369 0.822115 0.608192 O\n0.709631 0.177885 0.391808 O\n0.790369 0.177885 0.891808 O\n0.196561 0.420194 0.728545 F\n0.192641 0.021535 0.316857 F\n0.193443 0.605466 0.923444 F\n0.194167 0.221142 0.525562 F\n0.307359 0.021535 0.816857 F\n0.305833 0.221142 0.025562 F\n0.306557 0.605466 0.423444 F\n0.303439 0.420194 0.228545 F\n0.694167 0.778858 0.974438 F\n0.692641 0.978465 0.183143 F\n0.693443 0.394534 0.576556 F\n0.696561 0.579806 0.771455 F\n0.806557 0.394534 0.076556 F\n0.803439 0.579806 0.271455 F\n0.807359 0.978465 0.683143 F\n0.805833 0.778858 0.474438 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.164599742624887,"density_atomic":0.08121505474312014,"volume":369.38964204221446,"volume_molar":7.415054732214099,"formula_full":"Fe10 O4 F16","formula_reduced":"Fe5(OF4)2","formula_anonymous":"A2B5C8","energy":-204.00021818,"energy_per_atom":-6.800007272666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.30021818,"band_gap":1.7760999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":44.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.995000Z","spacegroup":14},{"id":"mp-1185754","created_at":"2022-09-04T14:46:00.086527Z","structure_string":"Mg4 Ag2\n1.0\n2.434323 -5.071523 0.000000\n2.434323 5.071523 0.000000\n0.000000 0.000000 4.836937\nMg Ag\n4 2\ndirect\n0.573047 0.881921 0.250000 Mg\n0.118079 0.426953 0.750000 Mg\n0.881921 0.573047 0.250000 Mg\n0.426953 0.118079 0.750000 Mg\n0.778938 0.778938 0.750000 Ag\n0.221062 0.221062 0.250000 Ag\n","nsites":6,"nelements":2,"elements":["Mg","Ag"],"chemical_system":"Ag-Mg","density":4.351268737924871,"density_atomic":0.05023821752824351,"volume":119.43098890056856,"volume_molar":11.987170437753694,"formula_full":"Mg4 Ag2","formula_reduced":"Mg2Ag","formula_anonymous":"AB2","energy":-13.038837020000004,"energy_per_atom":-2.173139503333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.038837020000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0082871,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.417000Z","spacegroup":63},{"id":"mp-10677","created_at":"2022-09-04T14:46:00.109271Z","structure_string":"Ca2 P2 Au2\n1.0\n2.150328 -3.724477 0.000000\n2.150328 3.724477 0.000000\n0.000000 0.000000 7.987918\nCa P Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n","nsites":6,"nelements":3,"elements":["Ca","P","Au"],"chemical_system":"Au-Ca-P","density":6.956807579110438,"density_atomic":0.04689404005293489,"volume":127.94802907207578,"volume_molar":12.84201735061021,"formula_full":"Ca2 P2 Au2","formula_reduced":"CaPAu","formula_anonymous":"ABC","energy":-26.66880942,"energy_per_atom":-4.44480157,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.66880942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004656,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.797000Z","spacegroup":194},{"id":"mp-1099307","created_at":"2022-09-04T14:46:00.161884Z","structure_string":"K1 Sr1 Mg6\n1.0\n3.805571 -5.864578 0.000000\n3.805571 5.864578 0.000000\n0.000000 0.000000 5.540067\nK Sr Mg\n1 1 6\ndirect\n0.836209 0.163791 0.500000 K\n0.340315 0.659685 0.500000 Sr\n0.329218 0.161325 0.500000 Mg\n0.838675 0.670782 0.500000 Mg\n0.179028 0.322737 0.000000 Mg\n0.677263 0.820972 0.000000 Mg\n0.648010 0.351990 0.000000 Mg\n0.151287 0.848713 0.000000 Mg\n","nsites":8,"nelements":3,"elements":["K","Sr","Mg"],"chemical_system":"K-Mg-Sr","density":1.830168037753332,"density_atomic":0.03235104982599375,"volume":247.2871836626482,"volume_molar":18.6149778520055,"formula_full":"K1 Sr1 Mg6","formula_reduced":"KSrMg6","formula_anonymous":"ABC6","energy":-10.84444211,"energy_per_atom":-1.35555526375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.84444211,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.070122,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.357000Z","spacegroup":38},{"id":"mp-556692","created_at":"2022-09-04T14:46:00.169350Z","structure_string":"Na2 Fe6 P6 O24\n1.0\n6.228772 5.869778 0.000000\n-6.228772 5.869778 0.000000\n0.000000 2.665599 5.984471\nNa Fe P O\n2 6 6 24\ndirect\n0.019402 0.980598 0.250000 Na\n0.980598 0.019402 0.750000 Na\n0.620815 0.945802 0.121842 Fe\n0.379185 0.054198 0.878158 Fe\n0.282685 0.717315 0.750000 Fe\n0.054198 0.379185 0.378158 Fe\n0.717315 0.282685 0.250000 Fe\n0.945802 0.620815 0.621842 Fe\n0.884055 0.661557 0.112024 P\n0.661557 0.884055 0.612024 P\n0.115945 0.338443 0.887976 P\n0.338443 0.115945 0.387976 P\n0.689518 0.310482 0.750000 P\n0.310482 0.689518 0.250000 P\n0.511513 0.269899 0.762409 O\n0.475251 0.255921 0.347050 O\n0.524749 0.744079 0.652950 O\n0.981350 0.315219 0.120423 O\n0.684781 0.018650 0.379577 O\n0.255921 0.475251 0.847050 O\n0.488487 0.730101 0.237591 O\n0.018650 0.684781 0.879577 O\n0.166222 0.165981 0.900170 O\n0.197176 0.725858 0.466762 O\n0.274142 0.802824 0.033238 O\n0.802824 0.274142 0.533238 O\n0.744079 0.524749 0.152950 O\n0.165981 0.166222 0.400170 O\n0.834019 0.833778 0.599830 O\n0.730101 0.488487 0.737591 O\n0.034602 0.389187 0.698859 O\n0.269899 0.511513 0.262409 O\n0.725858 0.197176 0.966762 O\n0.389187 0.034602 0.198859 O\n0.833778 0.834019 0.099830 O\n0.315219 0.981350 0.620423 O\n0.965398 0.610813 0.301141 O\n0.610813 0.965398 0.801141 O\n","nsites":38,"nelements":4,"elements":["Na","Fe","P","O"],"chemical_system":"Fe-Na-O-P","density":3.6082273325517713,"density_atomic":0.08683678258121058,"volume":437.60257888944744,"volume_molar":6.93501138687173,"formula_full":"Na2 Fe6 P6 O24","formula_reduced":"NaFe3(PO4)3","formula_anonymous":"AB3C3D12","energy":-292.81925981,"energy_per_atom":-7.705769995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.79525981,"band_gap":0.5517999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.000859,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.236000Z","spacegroup":15},{"id":"mp-743745","created_at":"2022-09-04T14:46:00.172407Z","structure_string":"Ca3 La5 Mn7 Cr1 O24\n1.0\n5.522223 0.000000 0.000000\n-0.002318 7.764075 0.000000\n-0.008135 -0.013834 11.051855\nCa La Mn Cr O\n3 5 7 1 24\ndirect\n0.468190 0.248650 0.253379 Ca\n0.466410 0.251589 0.756761 Ca\n0.033541 0.750057 0.005306 Ca\n0.975764 0.248865 0.496773 La\n0.975962 0.250729 0.995553 La\n0.525499 0.748730 0.241999 La\n0.520441 0.752008 0.752167 La\n0.024079 0.750110 0.503137 La\n0.998920 0.002481 0.751533 Mn\n0.500440 0.498913 0.000193 Mn\n0.500309 0.002116 0.000609 Mn\n0.500352 0.496196 0.499923 Mn\n0.000833 0.496543 0.247460 Mn\n0.000935 0.000447 0.247816 Mn\n0.998628 0.500706 0.752350 Mn\n0.500444 0.003012 0.499434 Cr\n0.990483 0.750627 0.286165 O\n0.985544 0.751203 0.789335 O\n0.783243 0.957794 0.113453 O\n0.777645 0.957661 0.612795 O\n0.778640 0.540939 0.110679 O\n0.773809 0.542482 0.613482 O\n0.727670 0.458380 0.362826 O\n0.725837 0.043053 0.359737 O\n0.720946 0.458398 0.861356 O\n0.725874 0.042270 0.858755 O\n0.513579 0.248569 0.038893 O\n0.515411 0.253937 0.542923 O\n0.490949 0.745781 0.460717 O\n0.483799 0.752158 0.967339 O\n0.269282 0.955165 0.636163 O\n0.270968 0.961317 0.139501 O\n0.275864 0.537585 0.135618 O\n0.267878 0.543319 0.635636 O\n0.226289 0.460558 0.387695 O\n0.225857 0.461822 0.885793 O\n0.219732 0.038970 0.387502 O\n0.223492 0.039169 0.883466 O\n0.018502 0.247906 0.211905 O\n0.017960 0.249784 0.713872 O\n","nsites":40,"nelements":5,"elements":["Ca","La","Mn","Cr","O"],"chemical_system":"Ca-Cr-La-Mn-O","density":5.7307330761786925,"density_atomic":0.08441529656295278,"volume":473.8477696417256,"volume_molar":7.133944918986316,"formula_full":"Ca3 La5 Mn7 Cr1 O24","formula_reduced":"Ca3La5Mn7CrO24","formula_anonymous":"AB3C5D7E24","energy":-337.35585509000003,"energy_per_atom":-8.43389637725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.19285509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9952518,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.321000Z","spacegroup":1},{"id":"mp-755410","created_at":"2022-09-04T14:46:00.055092Z","structure_string":"Li4 Ni6 O12\n1.0\n2.508102 -4.304512 0.000000\n2.508102 4.304512 0.000000\n0.000000 0.000000 10.005637\nLi Ni O\n4 6 12\ndirect\n0.659710 0.159710 0.750000 Li\n0.840290 0.340290 0.250000 Li\n0.159710 0.659710 0.750000 Li\n0.340290 0.840290 0.250000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.665027 0.334973 0.000000 Ni\n0.165027 0.834973 0.500000 Ni\n0.834973 0.165027 0.500000 Ni\n0.334973 0.665027 0.000000 Ni\n0.171304 0.171304 0.595615 O\n0.328696 0.328696 0.095615 O\n0.671304 0.671304 0.904385 O\n0.340550 0.990689 0.899973 O\n0.828696 0.828696 0.404385 O\n0.509311 0.159450 0.399973 O\n0.840550 0.490689 0.600027 O\n0.009311 0.659450 0.100027 O\n0.659450 0.009311 0.100027 O\n0.990689 0.340550 0.899973 O\n0.159450 0.509311 0.399973 O\n0.490689 0.840550 0.600027 O\n","nsites":22,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":4.395804805476322,"density_atomic":0.10183072245888794,"volume":216.04481897771126,"volume_molar":5.913874137965894,"formula_full":"Li4 Ni6 O12","formula_reduced":"Li2(NiO2)3","formula_anonymous":"A2B3C6","energy":-129.00663056,"energy_per_atom":-5.8639377527272725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.51663056,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0005532,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.983000Z","spacegroup":64},{"id":"mp-1219866","created_at":"2022-09-04T14:46:00.065138Z","structure_string":"Rb1 In1 Te6 Mo6\n1.0\n0.000000 0.000000 -4.604310\n-5.271896 -9.122202 0.000000\n-5.269194 9.120638 0.000000\nRb In Te Mo\n1 1 6 6\ndirect\n0.750000 0.666385 0.333100 Rb\n0.250000 0.332912 0.667415 In\n0.750000 0.704629 0.679486 Te\n0.750000 0.320538 0.024569 Te\n0.750000 0.975049 0.295789 Te\n0.250000 0.293268 0.328463 Te\n0.250000 0.671365 0.964730 Te\n0.250000 0.035439 0.706660 Te\n0.750000 0.014649 0.861145 Mo\n0.750000 0.138954 0.153197 Mo\n0.750000 0.846654 0.985535 Mo\n0.250000 0.985619 0.138334 Mo\n0.250000 0.861942 0.847275 Mo\n0.250000 0.152597 0.014300 Mo\n","nsites":14,"nelements":4,"elements":["Rb","In","Te","Mo"],"chemical_system":"In-Mo-Rb-Te","density":5.78212363601686,"density_atomic":0.03162390627246705,"volume":442.7030575975657,"volume_molar":19.043000912392344,"formula_full":"Rb1 In1 Te6 Mo6","formula_reduced":"RbIn(TeMo)6","formula_anonymous":"ABC6D6","energy":-92.06264628,"energy_per_atom":-6.575903305714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.06264628,"band_gap":0.0510999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00033,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.700000Z","spacegroup":174},{"id":"mp-1233348","created_at":"2022-09-04T14:45:58.358480Z","structure_string":"Mg1 Co4 P8 O28\n1.0\n6.632257 -0.013749 -2.270177\n-0.038174 8.202913 -0.063114\n0.035787 -0.073445 9.521419\nMg Co P O\n1 4 8 28\ndirect\n0.084081 0.065052 0.580636 Mg\n0.733191 0.776775 0.015742 Co\n0.709557 0.727382 0.509467 Co\n0.293062 0.311691 0.475206 Co\n0.282668 0.229928 0.997495 Co\n0.525696 0.069192 0.804705 P\n0.468962 0.922894 0.222916 P\n0.538957 0.423917 0.283249 P\n0.923709 0.966615 0.799770 P\n0.078081 0.459177 0.704082 P\n0.073534 0.045689 0.213081 P\n0.482512 0.573738 0.715043 P\n0.931618 0.552279 0.300729 P\n0.519809 0.591779 0.350075 O\n0.885095 0.618600 0.144602 O\n0.870961 0.960620 0.160864 O\n0.914165 0.685167 0.411384 O\n0.114928 0.399501 0.861287 O\n0.118924 0.067103 0.835102 O\n0.092613 0.316450 0.597882 O\n0.245585 0.594239 0.699573 O\n0.114617 0.115761 0.374545 O\n0.137761 0.471021 0.347010 O\n0.102721 0.179328 0.110329 O\n0.482334 0.212633 0.896211 O\n0.381955 0.065753 0.645685 O\n0.529237 0.905565 0.880935 O\n0.240008 0.905371 0.224127 O\n0.489081 0.406021 0.639445 O\n0.607866 0.582472 0.875788 O\n0.894415 0.911310 0.636297 O\n0.493426 0.284794 0.374844 O\n0.410350 0.415196 0.120436 O\n0.773915 0.405629 0.295450 O\n0.749569 0.098194 0.795965 O\n0.482962 0.086428 0.149783 O\n0.605471 0.915589 0.383239 O\n0.505765 0.785816 0.122502 O\n0.917226 0.828664 0.900668 O\n0.877440 0.546154 0.651667 O\n0.529134 0.712181 0.620752 O\n","nsites":41,"nelements":4,"elements":["Mg","Co","P","O"],"chemical_system":"Co-Mg-O-P","density":3.060320291625643,"density_atomic":0.07905504356199089,"volume":518.625987067478,"volume_molar":7.617655355888519,"formula_full":"Mg1 Co4 P8 O28","formula_reduced":"MgCo4(P2O7)4","formula_anonymous":"AB4C8D28","energy":-302.54480632,"energy_per_atom":-7.379141617560976,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.75680632,"band_gap":0.0592,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.057000Z","spacegroup":1}]}