{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10131","results":[{"id":"mp-1074110","created_at":"2022-09-04T14:47:33.429570Z","structure_string":"Mg8 Si14\n1.0\n3.902216 0.000000 0.000000\n0.000000 6.479840 0.000000\n0.000000 2.587315 15.319531\nMg Si\n8 14\ndirect\n0.000000 0.937864 0.903612 Mg\n0.000000 0.392014 0.503896 Mg\n0.500000 0.285251 0.349090 Mg\n0.500000 0.521879 0.655626 Mg\n0.000000 0.449784 0.844436 Mg\n0.500000 0.730500 0.192334 Mg\n0.500000 0.744109 0.418222 Mg\n0.500000 0.050669 0.580691 Mg\n0.500000 0.205858 0.973069 Si\n0.500000 0.587784 0.975113 Si\n0.000000 0.668285 0.060474 Si\n0.000000 0.402980 0.192921 Si\n0.000000 0.760919 0.555462 Si\n0.000000 0.039855 0.434672 Si\n0.500000 0.156421 0.177008 Si\n0.500000 0.762747 0.809876 Si\n0.000000 0.202152 0.695835 Si\n0.000000 0.049453 0.071327 Si\n0.000000 0.588894 0.317767 Si\n0.500000 0.172358 0.803753 Si\n0.000000 0.821866 0.707555 Si\n0.000000 0.972020 0.280839 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.5190522336580146,"density_atomic":0.056793890963080185,"volume":387.36560617587315,"volume_molar":10.603500936244696,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-85.04231248,"energy_per_atom":-3.8655596581818186,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.03631248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009847,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.713000Z","spacegroup":6},{"id":"mp-1074080","created_at":"2022-09-04T14:47:28.979368Z","structure_string":"Mg8 Si14\n1.0\n4.089228 0.000000 0.000000\n0.000000 6.704654 0.000000\n0.000000 2.765843 14.108271\nMg Si\n8 14\ndirect\n0.000000 0.873366 0.009682 Mg\n0.500000 0.521584 0.502282 Mg\n0.000000 0.271960 0.662514 Mg\n0.000000 0.758243 0.343307 Mg\n0.500000 0.829498 0.175443 Mg\n0.500000 0.205621 0.846455 Mg\n0.000000 0.802684 0.582676 Mg\n0.000000 0.243958 0.417762 Mg\n0.500000 0.177941 0.040672 Si\n0.500000 0.687088 0.899131 Si\n0.000000 0.382676 0.971778 Si\n0.500000 0.524434 0.066328 Si\n0.500000 0.922049 0.439643 Si\n0.500000 0.124452 0.558525 Si\n0.000000 0.891623 0.815941 Si\n0.000000 0.134368 0.183445 Si\n0.500000 0.484231 0.311740 Si\n0.500000 0.560698 0.693586 Si\n0.000000 0.537321 0.803010 Si\n0.000000 0.514090 0.174387 Si\n0.500000 0.137243 0.286224 Si\n0.500000 0.918513 0.711867 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.5227065840376968,"density_atomic":0.05687628098827755,"volume":386.8044748659691,"volume_molar":10.58814088291249,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-84.86639044,"energy_per_atom":-3.857563201818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.86039044,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012892,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.551000Z","spacegroup":6},{"id":"mp-18622","created_at":"2022-09-04T14:46:28.493846Z","structure_string":"Hf14 P8\n1.0\n1.767107 7.873116 0.000000\n-1.767107 7.873116 0.000000\n0.000000 3.690962 14.228000\nHf P\n14 8\ndirect\n0.660744 0.660744 0.028722 Hf\n0.339256 0.339256 0.971278 Hf\n0.996217 0.996217 0.669211 Hf\n0.003783 0.003783 0.330789 Hf\n0.823773 0.823773 0.540935 Hf\n0.176227 0.176227 0.459065 Hf\n0.205316 0.205316 0.202630 Hf\n0.794684 0.794684 0.797370 Hf\n0.196586 0.196586 0.688493 Hf\n0.803414 0.803414 0.311507 Hf\n0.430945 0.430945 0.168636 Hf\n0.569055 0.569055 0.831364 Hf\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.063088 0.063088 0.147405 P\n0.936912 0.936912 0.852595 P\n0.370142 0.370142 0.660729 P\n0.629858 0.629858 0.339271 P\n0.375683 0.375683 0.399516 P\n0.624317 0.624317 0.600484 P\n0.176536 0.176536 0.888324 P\n0.823464 0.823464 0.111676 P\n","nsites":22,"nelements":2,"elements":["Hf","P"],"chemical_system":"Hf-P","density":11.520440484266203,"density_atomic":0.055569863647584185,"volume":395.89803817984387,"volume_molar":10.83706232966761,"formula_full":"Hf14 P8","formula_reduced":"Hf7P4","formula_anonymous":"A4B7","energy":-206.29683325,"energy_per_atom":-9.377128784090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.29683325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0132299,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.458000Z","spacegroup":12},{"id":"mp-1074148","created_at":"2022-09-04T14:48:14.368503Z","structure_string":"Mg8 Si14\n1.0\n1.981321 14.834093 0.000000\n-1.981321 14.834093 0.000000\n0.000000 0.240319 6.737189\nMg Si\n8 14\ndirect\n0.903664 0.903664 0.941323 Mg\n0.695213 0.695213 0.660624 Mg\n0.118284 0.118284 0.826002 Mg\n0.269662 0.269662 0.465002 Mg\n0.858015 0.858015 0.459783 Mg\n0.048621 0.048621 0.430720 Mg\n0.153421 0.153421 0.346287 Mg\n0.230459 0.230459 0.968915 Mg\n0.419957 0.419957 0.627815 Si\n0.422354 0.422354 0.261051 Si\n0.968993 0.968993 0.247466 Si\n0.972746 0.972746 0.651312 Si\n0.719186 0.719186 0.272658 Si\n0.659369 0.659369 0.039481 Si\n0.529244 0.529244 0.754402 Si\n0.345287 0.345287 0.140442 Si\n0.788012 0.788012 0.766649 Si\n0.034114 0.034114 0.014665 Si\n0.601788 0.601788 0.546565 Si\n0.341875 0.341875 0.769401 Si\n0.794692 0.794692 0.133529 Si\n0.581688 0.581688 0.172249 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.463960059881682,"density_atomic":0.05555179726269331,"volume":396.02679092390855,"volume_molar":10.840586725794854,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-84.52895584,"energy_per_atom":-3.842225265454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.52295584,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007279,"is_theoretical":true,"updated_at":"2021-11-28T01:38:38.739000Z","spacegroup":8},{"id":"mp-1178831","created_at":"2022-09-04T14:42:00.948128Z","structure_string":"V8 O14\n1.0\n6.734974 0.000000 0.000000\n-2.711326 7.545884 0.000000\n-1.569071 -1.816561 9.729208\nV O\n8 14\ndirect\n0.649830 0.751894 0.712893 V\n0.350170 0.248106 0.287107 V\n0.329865 0.905634 0.051130 V\n0.670135 0.094366 0.948870 V\n0.121040 0.496532 0.134219 V\n0.878960 0.503468 0.865781 V\n0.799232 0.461714 0.541959 V\n0.200768 0.538286 0.458041 V\n0.147130 0.652959 0.997107 O\n0.852870 0.347041 0.002893 O\n0.375672 0.678777 0.623102 O\n0.624328 0.321223 0.376898 O\n0.098924 0.605769 0.293985 O\n0.901076 0.394231 0.706015 O\n0.311273 0.382323 0.156879 O\n0.688727 0.617677 0.843121 O\n0.623807 0.955308 0.083637 O\n0.376193 0.044692 0.916363 O\n0.206766 0.305034 0.410513 O\n0.793234 0.694966 0.589487 O\n0.741190 0.977582 0.803422 O\n0.258810 0.022418 0.196578 O\n","nsites":22,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":2.120875356319116,"density_atomic":0.04449376374229227,"volume":494.4513151870884,"volume_molar":13.534797359198963,"formula_full":"V8 O14","formula_reduced":"V4O7","formula_anonymous":"A4B7","energy":-188.41470606,"energy_per_atom":-8.56430482090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.19670606,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0000985,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.094000Z","spacegroup":2},{"id":"mp-1255862","created_at":"2022-09-04T14:41:05.641529Z","structure_string":"Mg8 Si14\n1.0\n14.288380 -0.002834 -3.635096\n0.000913 3.946252 0.000121\n0.325222 0.000330 7.083033\nMg Si\n8 14\ndirect\n0.928552 0.727935 0.724429 Mg\n0.511073 0.727283 0.151788 Mg\n0.343350 0.227176 0.237889 Mg\n0.655703 0.227535 0.038599 Mg\n0.844276 0.727997 0.111549 Mg\n0.096112 0.227683 0.781109 Mg\n0.427616 0.227329 0.800752 Mg\n0.574256 0.227412 0.487498 Mg\n0.955612 0.227973 0.343532 Si\n0.963514 0.227857 0.004493 Si\n0.047506 0.727834 0.474085 Si\n0.138443 0.227477 0.186628 Si\n0.555190 0.727649 0.788807 Si\n0.439171 0.727519 0.488913 Si\n0.190491 0.727281 0.038471 Si\n0.796587 0.227947 0.795431 Si\n0.701428 0.727689 0.348844 Si\n0.198871 0.227457 0.520036 Si\n0.335081 0.727420 0.948121 Si\n0.804742 0.227614 0.430479 Si\n0.700998 0.727738 0.700551 Si\n0.295016 0.727457 0.597967 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.4150570298494953,"density_atomic":0.054449242373873455,"volume":404.0460260023072,"volume_molar":11.060100191384155,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-85.31315825,"energy_per_atom":-3.8778708295454547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.30715825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004446,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.856000Z","spacegroup":6},{"id":"mp-1212833","created_at":"2022-09-04T14:40:59.757102Z","structure_string":"Er8 C14\n1.0\n13.665546 0.000000 0.000000\n0.000000 3.677416 0.000000\n0.000000 1.650542 6.184174\nEr C\n8 14\ndirect\n0.338230 0.946557 0.660232 Er\n0.661770 0.053443 0.339768 Er\n0.838230 0.053443 0.839768 Er\n0.161770 0.946557 0.160232 Er\n0.054755 0.634521 0.739202 Er\n0.945245 0.365479 0.260798 Er\n0.554755 0.365479 0.760798 Er\n0.445245 0.634521 0.239202 Er\n0.894876 0.737548 0.546921 C\n0.105124 0.262452 0.453079 C\n0.394876 0.262452 0.953079 C\n0.605124 0.737548 0.046921 C\n0.214886 0.537292 0.923993 C\n0.785114 0.462708 0.076007 C\n0.714886 0.462708 0.576007 C\n0.285114 0.537292 0.423993 C\n0.802640 0.620461 0.545302 C\n0.197360 0.379539 0.454698 C\n0.302640 0.379539 0.954698 C\n0.697360 0.620461 0.045302 C\n0.500000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":22,"nelements":2,"elements":["Er","C"],"chemical_system":"C-Er","density":8.047974213950482,"density_atomic":0.07078988887640572,"volume":310.7788463746636,"volume_molar":8.507063445902908,"formula_full":"Er8 C14","formula_reduced":"Er4C7","formula_anonymous":"A4B7","energy":-172.36263884,"energy_per_atom":-7.834665401818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.36263884,"band_gap":0.3912000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00294,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.260000Z","spacegroup":14},{"id":"mp-568692","created_at":"2022-09-04T14:41:27.101256Z","structure_string":"In8 Br14\n1.0\n16.033490 -3.908373 0.000000\n16.033490 3.908373 0.000000\n15.080774 0.000000 6.702124\nIn Br\n8 14\ndirect\n0.151058 0.151058 0.151058 In\n0.708160 0.708160 0.708160 In\n0.417064 0.417064 0.417064 In\n0.500000 0.500000 0.500000 In\n0.582936 0.582936 0.582936 In\n0.291840 0.291840 0.291840 In\n0.000000 0.000000 0.000000 In\n0.848942 0.848942 0.848942 In\n0.139126 0.630972 0.630972 Br\n0.096944 0.627694 0.096944 Br\n0.096944 0.096944 0.627694 Br\n0.369028 0.369028 0.860874 Br\n0.372306 0.903056 0.903056 Br\n0.630972 0.139126 0.630972 Br\n0.630972 0.630972 0.139126 Br\n0.903056 0.372306 0.903056 Br\n0.654749 0.654749 0.654749 Br\n0.627694 0.096944 0.096944 Br\n0.903056 0.903056 0.372306 Br\n0.860874 0.369028 0.369028 Br\n0.345251 0.345251 0.345251 Br\n0.369028 0.860874 0.369028 Br\n","nsites":22,"nelements":2,"elements":["In","Br"],"chemical_system":"Br-In","density":4.027320946540157,"density_atomic":0.026191245825208005,"volume":839.9753164404993,"volume_molar":22.992952684228317,"formula_full":"In8 Br14","formula_reduced":"In4Br7","formula_anonymous":"A4B7","energy":-69.15520031,"energy_per_atom":-3.1434181959090908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.67920031,"band_gap":2.2604,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004269,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.651000Z","spacegroup":166},{"id":"mp-1200885","created_at":"2022-09-04T14:40:31.993393Z","structure_string":"Y16 C28\n1.0\n12.639174 0.000000 0.000000\n0.000000 3.716374 0.000000\n0.000000 2.096985 13.690090\nY C\n16 28\ndirect\n0.514830 0.302629 0.392134 Y\n0.985170 0.302629 0.892134 Y\n0.485170 0.697371 0.607866 Y\n0.014830 0.697371 0.107866 Y\n0.539515 0.122071 0.118016 Y\n0.960485 0.122071 0.618016 Y\n0.460485 0.877929 0.881984 Y\n0.039515 0.877929 0.381984 Y\n0.304834 0.865910 0.288992 Y\n0.195166 0.865910 0.788992 Y\n0.695166 0.134090 0.711008 Y\n0.804834 0.134090 0.211008 Y\n0.262765 0.262967 0.506444 Y\n0.237235 0.262967 0.006444 Y\n0.737235 0.737033 0.493556 Y\n0.762765 0.737033 0.993556 Y\n0.140883 0.164892 0.174075 C\n0.359117 0.164892 0.674075 C\n0.859117 0.835108 0.825925 C\n0.640883 0.835108 0.325925 C\n0.388765 0.749084 0.046406 C\n0.111235 0.749084 0.546406 C\n0.611235 0.250916 0.953594 C\n0.888765 0.250916 0.453594 C\n0.416235 0.408088 0.227180 C\n0.083765 0.408088 0.727180 C\n0.583765 0.591912 0.772820 C\n0.916235 0.591912 0.272820 C\n0.171200 0.374472 0.346593 C\n0.328800 0.374472 0.846593 C\n0.828800 0.625528 0.653407 C\n0.671200 0.625528 0.153407 C\n0.395051 0.582084 0.137871 C\n0.104949 0.582084 0.637871 C\n0.604949 0.417916 0.862129 C\n0.895051 0.417916 0.362129 C\n0.151598 0.301466 0.255750 C\n0.348402 0.301466 0.755750 C\n0.848402 0.698534 0.744250 C\n0.651598 0.698534 0.244250 C\n0.615791 0.212955 0.550877 C\n0.884209 0.212955 0.050877 C\n0.384209 0.787045 0.449123 C\n0.115791 0.787045 0.949123 C\n","nsites":44,"nelements":2,"elements":["Y","C"],"chemical_system":"C-Y","density":4.541710694104888,"density_atomic":0.06842396982340773,"volume":643.0495060949777,"volume_molar":8.801215093982805,"formula_full":"Y16 C28","formula_reduced":"Y4C7","formula_anonymous":"A4B7","energy":-374.17334779,"energy_per_atom":-8.5039397225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.17334779,"band_gap":0.6128,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0086898,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.653000Z","spacegroup":14},{"id":"mp-1074855","created_at":"2022-09-04T14:40:32.036187Z","structure_string":"Mg14 Si8\n1.0\n5.210833 0.000000 0.000000\n0.465947 5.907364 0.000000\n1.036513 1.091135 13.953527\nMg Si\n14 8\ndirect\n0.028264 0.109404 0.716227 Mg\n0.753887 0.505016 0.836858 Mg\n0.577188 0.872971 0.637193 Mg\n0.512599 0.380722 0.653026 Mg\n0.696293 0.318825 0.077861 Mg\n0.660586 0.672260 0.443121 Mg\n0.452076 0.082442 0.306371 Mg\n0.179749 0.434517 0.469821 Mg\n0.246582 0.331600 0.934956 Mg\n0.426436 0.784752 0.987525 Mg\n0.918020 0.945956 0.929933 Mg\n0.762093 0.805714 0.155932 Mg\n0.916888 0.340385 0.288591 Mg\n0.129846 0.934211 0.503549 Mg\n0.191714 0.076946 0.111789 Si\n0.501557 0.042585 0.808757 Si\n0.260136 0.686458 0.798607 Si\n0.384789 0.551798 0.266500 Si\n0.178431 0.496442 0.117250 Si\n0.651052 0.180908 0.480908 Si\n0.026723 0.605359 0.655594 Si\n0.045053 0.833311 0.323299 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.1841240518461507,"density_atomic":0.051219790390973206,"volume":429.52147660247357,"volume_molar":11.757449052468829,"formula_full":"Mg14 Si8","formula_reduced":"Mg7Si4","formula_anonymous":"A4B7","energy":-63.8509936,"energy_per_atom":-2.902317890909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.4189936,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013332,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.185000Z","spacegroup":1},{"id":"mp-1074846","created_at":"2022-09-04T14:40:26.816416Z","structure_string":"Mg14 Si8\n1.0\n5.270266 0.000000 0.000000\n-1.164105 5.990122 0.000000\n-1.090716 -1.819418 14.017087\nMg Si\n14 8\ndirect\n0.433734 0.282072 0.101064 Mg\n0.766610 0.070835 0.356736 Mg\n0.185371 0.489998 0.477843 Mg\n0.306194 0.225349 0.301065 Mg\n0.487453 0.801235 0.136371 Mg\n0.203614 0.748318 0.691885 Mg\n0.157704 0.242019 0.681698 Mg\n0.196114 0.978586 0.480098 Mg\n0.956098 0.452859 0.034074 Mg\n0.955026 0.931602 0.013863 Mg\n0.473673 0.516887 0.914364 Mg\n0.437332 0.005606 0.897570 Mg\n0.696822 0.823968 0.571260 Mg\n0.676975 0.321234 0.550859 Mg\n0.993639 0.616030 0.859558 Si\n0.895317 0.195138 0.179913 Si\n0.326541 0.754638 0.316022 Si\n0.635929 0.120988 0.728155 Si\n0.989630 0.198662 0.863362 Si\n0.899230 0.601320 0.229297 Si\n0.684026 0.579339 0.384991 Si\n0.646547 0.539667 0.726324 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.1200017204115826,"density_atomic":0.04971606061304097,"volume":442.5129370412989,"volume_molar":12.113069068107821,"formula_full":"Mg14 Si8","formula_reduced":"Mg7Si4","formula_anonymous":"A4B7","energy":-62.80429349,"energy_per_atom":-2.8547406131818183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.37229349,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000506,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.713000Z","spacegroup":1},{"id":"mp-9530","created_at":"2022-09-04T14:40:38.208593Z","structure_string":"Y8 C14\n1.0\n13.773828 0.000000 0.000000\n0.000000 3.722636 0.000000\n0.000000 1.650118 6.273498\nY C\n8 14\ndirect\n0.944913 0.366282 0.261015 Y\n0.444913 0.633718 0.238985 Y\n0.055087 0.633718 0.738985 Y\n0.555087 0.366282 0.761015 Y\n0.662567 0.056049 0.339761 Y\n0.162567 0.943951 0.160239 Y\n0.337433 0.943951 0.660239 Y\n0.837433 0.056049 0.839761 Y\n0.500000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.784207 0.469145 0.076487 C\n0.284207 0.530855 0.423513 C\n0.215793 0.530855 0.923513 C\n0.715793 0.469145 0.576487 C\n0.196601 0.378440 0.452871 C\n0.696601 0.621560 0.047129 C\n0.395389 0.267418 0.949539 C\n0.895389 0.732582 0.550461 C\n0.604611 0.732582 0.050461 C\n0.104611 0.267418 0.449539 C\n0.303399 0.378440 0.952871 C\n0.803399 0.621560 0.547129 C\n","nsites":22,"nelements":2,"elements":["Y","C"],"chemical_system":"C-Y","density":4.5396135894412,"density_atomic":0.06839237551106833,"volume":321.67328354371335,"volume_molar":8.80528087378015,"formula_full":"Y8 C14","formula_reduced":"Y4C7","formula_anonymous":"A4B7","energy":-187.01467628,"energy_per_atom":-8.500667103636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.01467628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032626,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.987000Z","spacegroup":14}]}