{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10139","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10137","results":[{"id":"mp-1017630","created_at":"2022-09-04T14:46:24.632095Z","structure_string":"Mg2 Zn1 As2\n1.0\n2.140714 -3.707826 0.000000\n2.140714 3.707826 0.000000\n0.000000 0.000000 6.622429\nMg Zn As\n2 1 2\ndirect\n0.666667 0.333333 0.354934 Mg\n0.333333 0.666667 0.645066 Mg\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.777802 As\n0.333333 0.666667 0.222198 As\n","nsites":5,"nelements":3,"elements":["Mg","Zn","As"],"chemical_system":"As-Mg-Zn","density":4.167743427359626,"density_atomic":0.0475603128826298,"volume":105.12967003264023,"volume_molar":12.662113419778267,"formula_full":"Mg2 Zn1 As2","formula_reduced":"Mg2ZnAs2","formula_anonymous":"AB2C2","energy":-15.29730501,"energy_per_atom":-3.059461002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.29730501,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002382,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.257000Z","spacegroup":164},{"id":"mp-756393","created_at":"2022-09-04T14:46:24.637019Z","structure_string":"Er4 Nb4 O14\n1.0\n0.000000 5.155210 5.155210\n5.155210 0.000000 5.155210\n5.155210 5.155210 0.000000\nEr Nb O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Er\n0.125000 0.125000 0.625000 Er\n0.625000 0.125000 0.125000 Er\n0.125000 0.625000 0.125000 Er\n0.625000 0.125000 0.625000 Nb\n0.625000 0.625000 0.125000 Nb\n0.125000 0.625000 0.625000 Nb\n0.625000 0.625000 0.625000 Nb\n0.972627 0.527373 0.972627 O\n0.250000 0.250000 0.250000 O\n0.722627 0.277373 0.722627 O\n0.722627 0.722627 0.277373 O\n0.277373 0.722627 0.722627 O\n0.972627 0.972627 0.527373 O\n0.527373 0.972627 0.972627 O\n0.972627 0.527373 0.527373 O\n0.527373 0.527373 0.972627 O\n0.722627 0.277373 0.277373 O\n0.277373 0.277373 0.722627 O\n0.000000 0.000000 0.000000 O\n0.277373 0.722627 0.277373 O\n0.527373 0.972627 0.527373 O\n","nsites":22,"nelements":3,"elements":["Er","Nb","O"],"chemical_system":"Er-Nb-O","density":7.663928388654944,"density_atomic":0.08028854758479323,"volume":274.01168238553157,"volume_molar":7.500622369136745,"formula_full":"Er4 Nb4 O14","formula_reduced":"Er2Nb2O7","formula_anonymous":"A2B2C7","energy":-202.754696,"energy_per_atom":-9.216122545454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.136696,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009722,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.904000Z","spacegroup":227},{"id":"mp-766249","created_at":"2022-09-04T14:46:24.639332Z","structure_string":"Bi24 Br10 O31\n1.0\n8.061874 0.000000 0.000000\n-0.051599 10.577679 0.000000\n-2.050002 -0.086104 15.366541\nBi Br O\n24 10 31\ndirect\n0.678491 0.082691 0.695923 Bi\n0.146931 0.058567 0.691419 Bi\n0.463556 0.067540 0.095007 Bi\n0.983691 0.074272 0.087934 Bi\n0.724826 0.250265 0.931343 Bi\n0.224437 0.207184 0.930128 Bi\n0.610233 0.251477 0.352202 Bi\n0.111672 0.254275 0.352773 Bi\n0.801367 0.386844 0.171789 Bi\n0.299725 0.390083 0.172738 Bi\n0.150530 0.435307 0.591640 Bi\n0.652192 0.448968 0.593919 Bi\n0.856950 0.549367 0.407682 Bi\n0.356881 0.549968 0.408798 Bi\n0.710016 0.611610 0.824521 Bi\n0.213365 0.602148 0.830390 Bi\n0.945731 0.747760 0.652487 Bi\n0.414457 0.750978 0.654123 Bi\n0.764930 0.791091 0.064610 Bi\n0.276884 0.752278 0.066603 Bi\n0.999158 0.898254 0.898349 Bi\n0.517164 0.943025 0.885244 Bi\n0.812656 0.910859 0.312085 Bi\n0.319713 0.910721 0.305987 Bi\n0.881230 0.206135 0.530501 Br\n0.380361 0.199178 0.531018 Br\n0.438866 0.357153 0.756179 Br\n0.939868 0.343236 0.757897 Br\n0.003025 0.499645 0.002633 Br\n0.506112 0.509152 0.998336 Br\n0.068906 0.651992 0.245313 Br\n0.570249 0.657347 0.245841 Br\n0.598645 0.836735 0.467207 Br\n0.099993 0.844729 0.454698 Br\n0.766710 0.977184 0.007474 O\n0.233400 0.028985 0.001202 O\n0.689018 0.089265 0.833732 O\n0.231257 0.052845 0.826199 O\n0.964379 0.154205 0.952246 O\n0.503386 0.140941 0.960222 O\n0.806541 0.106466 0.319474 O\n0.318220 0.106643 0.310619 O\n0.778348 0.230407 0.081433 O\n0.277859 0.235193 0.085726 O\n0.560033 0.305657 0.213922 O\n0.057863 0.302794 0.213452 O\n0.836093 0.372777 0.329184 O\n0.333182 0.374311 0.328808 O\n0.615172 0.464471 0.443297 O\n0.114249 0.458577 0.441384 O\n0.389067 0.528074 0.553451 O\n0.894898 0.533994 0.553333 O\n0.680329 0.629584 0.676877 O\n0.163861 0.611909 0.675340 O\n0.961519 0.706103 0.791817 O\n0.445609 0.688824 0.790904 O\n0.222588 0.765668 0.917533 O\n0.739906 0.782877 0.902745 O\n0.538876 0.919511 0.717519 O\n0.187798 0.861296 0.680647 O\n0.031512 0.842053 0.039763 O\n0.494089 0.861440 0.037338 O\n0.832382 0.925400 0.179230 O\n0.306298 0.915712 0.169741 O\n0.905832 0.974498 0.706438 O\n","nsites":65,"nelements":3,"elements":["Bi","Br","O"],"chemical_system":"Bi-Br-O","density":7.996756457847647,"density_atomic":0.04960333173601775,"volume":1310.3958489304962,"volume_molar":12.140597313198683,"formula_full":"Bi24 Br10 O31","formula_reduced":"Bi24Br10O31","formula_anonymous":"A10B24C31","energy":-365.30496895,"energy_per_atom":-5.6200764453846155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-338.66796895,"band_gap":1.476,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011466,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.091000Z","spacegroup":1},{"id":"mp-4888","created_at":"2022-09-04T14:46:24.640325Z","structure_string":"Nb2 P2 O10\n1.0\n6.513189 0.000000 0.000000\n0.000000 6.513189 0.000000\n0.000000 0.000000 4.213442\nNb P O\n2 2 10\ndirect\n0.500000 0.000000 0.223491 Nb\n0.000000 0.500000 0.776509 Nb\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.000000 0.806536 0.710233 O\n0.000000 0.193464 0.710233 O\n0.000000 0.500000 0.199646 O\n0.500000 0.000000 0.800354 O\n0.693464 0.500000 0.710233 O\n0.306536 0.500000 0.710233 O\n0.193464 0.000000 0.289767 O\n0.500000 0.306536 0.289767 O\n0.500000 0.693464 0.289767 O\n0.806536 0.000000 0.289767 O\n","nsites":14,"nelements":3,"elements":["Nb","P","O"],"chemical_system":"Nb-O-P","density":3.7881158168908327,"density_atomic":0.07832558625266466,"volume":178.74108155205434,"volume_molar":7.688599662150789,"formula_full":"Nb2 P2 O10","formula_reduced":"NbPO5","formula_anonymous":"ABC5","energy":-121.21106128000002,"energy_per_atom":-8.65793294857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.34106128,"band_gap":3.0819,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000464,"is_theoretical":false,"updated_at":"2021-11-28T01:37:28.880000Z","spacegroup":129},{"id":"mp-28454","created_at":"2022-09-04T14:46:24.643107Z","structure_string":"Sm2 Mo16 O28\n1.0\n5.398765 -6.204863 0.000000\n5.398765 6.204863 0.000000\n0.000000 0.000000 9.387402\nSm Mo O\n2 16 28\ndirect\n0.956383 0.043617 0.500000 Sm\n0.456383 0.543617 0.000000 Sm\n0.463088 0.881463 0.370414 Mo\n0.118537 0.536912 0.629586 Mo\n0.963088 0.381463 0.129586 Mo\n0.618537 0.036912 0.870414 Mo\n0.338143 0.491466 0.356675 Mo\n0.508534 0.661857 0.643325 Mo\n0.838143 0.991466 0.143325 Mo\n0.008534 0.161857 0.856675 Mo\n0.742291 0.632156 0.372845 Mo\n0.240658 0.896892 0.854274 Mo\n0.242291 0.132156 0.127155 Mo\n0.867844 0.757709 0.872845 Mo\n0.603108 0.259342 0.354274 Mo\n0.740658 0.396892 0.645726 Mo\n0.103108 0.759342 0.145726 Mo\n0.367844 0.257709 0.627155 Mo\n0.311614 0.688386 0.500000 O\n0.811614 0.188386 0.000000 O\n0.783610 0.216390 0.500000 O\n0.283610 0.716390 0.000000 O\n0.666994 0.814284 0.496639 O\n0.185716 0.333006 0.503361 O\n0.166994 0.314284 0.003361 O\n0.685716 0.833006 0.996639 O\n0.520293 0.663124 0.252179 O\n0.336876 0.479707 0.747821 O\n0.020293 0.163124 0.247821 O\n0.836876 0.979707 0.752179 O\n0.915646 0.821688 0.293698 O\n0.178312 0.084354 0.706302 O\n0.415646 0.321688 0.206302 O\n0.678312 0.584354 0.793698 O\n0.429409 0.105808 0.479922 O\n0.894192 0.570591 0.520078 O\n0.453346 0.862479 0.757660 O\n0.137521 0.546654 0.242340 O\n0.953346 0.362479 0.742340 O\n0.637521 0.046654 0.257660 O\n0.561109 0.238278 0.752448 O\n0.929409 0.605808 0.020078 O\n0.061109 0.738278 0.747552 O\n0.261722 0.938891 0.252448 O\n0.394192 0.070591 0.979922 O\n0.761722 0.438891 0.247552 O\n","nsites":46,"nelements":3,"elements":["Sm","Mo","O"],"chemical_system":"Mo-O-Sm","density":6.029680940772012,"density_atomic":0.07314014199518022,"volume":628.929596595961,"volume_molar":8.23370121484977,"formula_full":"Sm2 Mo16 O28","formula_reduced":"Sm(Mo4O7)2","formula_anonymous":"AB8C14","energy":-406.74243943,"energy_per_atom":-8.842226944130434,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.27443943,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.999075,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.281000Z","spacegroup":41},{"id":"mp-1095748","created_at":"2022-09-04T14:46:24.695668Z","structure_string":"Mg2 Cd1 Hg1\n1.0\n-5.655705 6.048993 8.501463\n5.655705 -6.048993 8.501463\n5.655705 6.048993 -8.501463\nMg Cd Hg\n2 1 1\ndirect\n0.000000 0.251767 0.251767 Mg\n0.000000 0.748233 0.748233 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Cd","Hg"],"chemical_system":"Cd-Hg-Mg","density":0.516139669595641,"density_atomic":0.003438242468507863,"volume":1163.385083116587,"volume_molar":175.15171821530967,"formula_full":"Mg2 Cd1 Hg1","formula_reduced":"Mg2CdHg","formula_anonymous":"ABC2","energy":-0.89828848,"energy_per_atom":-0.22457212,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.89828848,"band_gap":0.0627999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.22e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.596000Z","spacegroup":71},{"id":"mp-1190822","created_at":"2022-09-04T14:46:24.645130Z","structure_string":"Ba2 Si18 Rh4\n1.0\n10.769062 3.131525 0.000000\n-10.769062 3.131525 0.000000\n0.000000 0.031597 6.278370\nBa Si Rh\n2 18 4\ndirect\n0.686937 0.313063 0.750000 Ba\n0.313063 0.686937 0.250000 Ba\n0.160117 0.839497 0.524073 Si\n0.160503 0.839883 0.975927 Si\n0.839883 0.160503 0.475927 Si\n0.839497 0.160117 0.024073 Si\n0.114011 0.432179 0.752874 Si\n0.567821 0.885989 0.747126 Si\n0.885989 0.567821 0.247126 Si\n0.432179 0.114011 0.252874 Si\n0.083913 0.172844 0.611023 Si\n0.827156 0.916087 0.888977 Si\n0.916087 0.827156 0.388977 Si\n0.172844 0.083913 0.111023 Si\n0.672039 0.583492 0.888576 Si\n0.416508 0.327961 0.611424 Si\n0.327961 0.416508 0.111424 Si\n0.583492 0.672039 0.388576 Si\n0.250507 0.749493 0.750000 Si\n0.749493 0.250507 0.250000 Si\n0.069607 0.930393 0.750000 Rh\n0.930393 0.069607 0.250000 Rh\n0.431801 0.568199 0.750000 Rh\n0.568199 0.431801 0.250000 Rh\n","nsites":24,"nelements":3,"elements":["Ba","Si","Rh"],"chemical_system":"Ba-Rh-Si","density":4.673554184934157,"density_atomic":0.05667618110707478,"volume":423.45831231392066,"volume_molar":10.6255231781103,"formula_full":"Ba2 Si18 Rh4","formula_reduced":"BaSi9Rh2","formula_anonymous":"AB2C9","energy":-140.03818725,"energy_per_atom":-5.83492446875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.03818725,"band_gap":0.1793000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005986,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.228000Z","spacegroup":15},{"id":"mp-510381","created_at":"2022-09-04T14:46:24.649228Z","structure_string":"Fe3 Ni1 N1\n1.0\n4.290839 0.000000 0.000000\n0.000000 4.290839 0.000000\n0.000000 0.000000 4.290839\nFe Ni N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":3,"elements":["Fe","Ni","N"],"chemical_system":"Fe-N-Ni","density":5.049622363683991,"density_atomic":0.06329120238769811,"volume":78.99992117975385,"volume_molar":9.514972907467659,"formula_full":"Fe3 Ni1 N1","formula_reduced":"Fe3NiN","formula_anonymous":"ABC3","energy":-30.60566107,"energy_per_atom":-6.121132214,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.24466107,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.9903852,"is_theoretical":false,"updated_at":"2021-11-28T01:37:34.260000Z","spacegroup":221},{"id":"mp-1352620","created_at":"2022-09-04T14:46:24.650918Z","structure_string":"Ca4 B16 O30\n1.0\n6.497918 0.000000 0.000000\n-1.622368 9.304309 0.000000\n-0.091907 -4.700947 9.011148\nCa B O\n4 16 30\ndirect\n0.519176 0.462471 0.719985 Ca\n0.480824 0.537529 0.280015 Ca\n0.840116 0.013154 0.172064 Ca\n0.159884 0.986846 0.827936 Ca\n0.248202 0.846395 0.218515 B\n0.751798 0.153605 0.781485 B\n0.580977 0.277960 0.126541 B\n0.419023 0.722040 0.873459 B\n0.235498 0.311673 0.156968 B\n0.764502 0.688327 0.843032 B\n0.201139 0.782530 0.478292 B\n0.798861 0.217470 0.521708 B\n0.074923 0.652866 0.735897 B\n0.925077 0.347134 0.264103 B\n0.054708 0.347497 0.807902 B\n0.945292 0.652503 0.192098 B\n0.269583 0.149416 0.024766 B\n0.730417 0.850584 0.975234 B\n0.554405 0.754859 0.427533 B\n0.445595 0.245141 0.572467 B\n0.451649 0.363995 0.152335 O\n0.548351 0.636005 0.847665 O\n0.498967 0.193090 0.048168 O\n0.501033 0.806910 0.951832 O\n0.149313 0.203542 0.104191 O\n0.850687 0.796458 0.895809 O\n0.139692 0.377376 0.219729 O\n0.860308 0.622624 0.780271 O\n0.654790 0.612120 0.477314 O\n0.345210 0.387880 0.522686 O\n0.217535 0.978676 0.071326 O\n0.782465 0.021324 0.928674 O\n0.157959 0.690162 0.213943 O\n0.842041 0.309838 0.786057 O\n0.143289 0.865213 0.327029 O\n0.856711 0.134787 0.672971 O\n0.395606 0.721675 0.527303 O\n0.604394 0.278325 0.472697 O\n0.069899 0.760762 0.577694 O\n0.930101 0.239238 0.422306 O\n0.196821 0.230240 0.862657 O\n0.803179 0.769760 0.137343 O\n0.714607 0.889301 0.411221 O\n0.285393 0.110699 0.588779 O\n0.473085 0.822461 0.268238 O\n0.526915 0.177539 0.731762 O\n0.786960 0.269151 0.178344 O\n0.213040 0.730849 0.821656 O\n0.151461 0.498867 0.774485 O\n0.848539 0.501133 0.225515 O\n","nsites":50,"nelements":3,"elements":["Ca","B","O"],"chemical_system":"B-Ca-O","density":2.4788221918585505,"density_atomic":0.0917765081924985,"volume":544.8017252424388,"volume_molar":6.5617453514016235,"formula_full":"Ca4 B16 O30","formula_reduced":"Ca2B8O15","formula_anonymous":"A2B8C15","energy":-221.15007142,"energy_per_atom":-4.4230014284,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.20007142,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0240758,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.057000Z","spacegroup":2},{"id":"mp-752437","created_at":"2022-09-04T14:46:24.656864Z","structure_string":"Sm4 In4 O12\n1.0\n5.622973 0.000000 0.000000\n0.000000 5.952571 0.000000\n0.000000 0.000000 8.238917\nSm In O\n4 4 12\ndirect\n0.979583 0.064537 0.250000 Sm\n0.479583 0.435463 0.750000 Sm\n0.520417 0.564537 0.250000 Sm\n0.020417 0.935463 0.750000 Sm\n0.500000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.634678 0.062248 0.750000 O\n0.187381 0.190491 0.568380 O\n0.187381 0.190491 0.931620 O\n0.687381 0.309509 0.431620 O\n0.687381 0.309509 0.068380 O\n0.134678 0.437752 0.250000 O\n0.865322 0.562248 0.750000 O\n0.312619 0.690491 0.931620 O\n0.312619 0.690491 0.568380 O\n0.812619 0.809509 0.068380 O\n0.812619 0.809509 0.431620 O\n0.365322 0.937752 0.250000 O\n","nsites":20,"nelements":3,"elements":["Sm","In","O"],"chemical_system":"In-O-Sm","density":7.543226160313635,"density_atomic":0.07252525852478801,"volume":275.7659939007913,"volume_molar":8.303508160459332,"formula_full":"Sm4 In4 O12","formula_reduced":"SmInO3","formula_anonymous":"ABC3","energy":-147.23890839,"energy_per_atom":-7.3619454195000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.99490839,"band_gap":2.6396999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.281000Z","spacegroup":62},{"id":"mp-1096735","created_at":"2022-09-04T14:46:24.702067Z","structure_string":"Ba1 Mg1 Hg2\n1.0\n-6.697990 6.721994 9.506921\n6.697990 -6.721994 9.506921\n6.697990 6.721994 -9.506921\nBa Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.228745 0.228745 Hg\n0.000000 0.771255 0.771255 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Mg","Hg"],"chemical_system":"Ba-Hg-Mg","density":0.5458457767222724,"density_atomic":0.0023362402378122914,"volume":1712.1526867227026,"volume_molar":257.77061205140745,"formula_full":"Ba1 Mg1 Hg2","formula_reduced":"BaMgHg2","formula_anonymous":"ABC2","energy":-1.08674815,"energy_per_atom":-0.2716870375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.08674815,"band_gap":0.1452,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.61e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.979000Z","spacegroup":71},{"id":"mp-1044996","created_at":"2022-09-04T14:46:24.727124Z","structure_string":"Y4 V12 O24\n1.0\n3.147721 -5.452012 0.000000\n3.147721 5.452012 0.000000\n0.000000 0.000000 15.142867\nY V O\n4 12 24\ndirect\n0.333333 0.666667 0.055315 Y\n0.000000 0.000000 0.370455 Y\n0.666667 0.333333 0.944685 Y\n0.000000 0.000000 0.629545 Y\n0.170006 0.340011 0.832133 V\n0.829994 0.659989 0.167867 V\n0.500000 0.000000 0.500000 V\n0.170006 0.829994 0.832133 V\n0.829994 0.170006 0.167867 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.327148 V\n0.333333 0.666667 0.672852 V\n0.659989 0.829994 0.832133 V\n0.340011 0.170006 0.167867 V\n0.000000 0.500000 0.500000 V\n0.333333 0.666667 0.913257 O\n0.000000 0.000000 0.232178 O\n0.666667 0.333333 0.558533 O\n0.284174 0.142087 0.913267 O\n0.951579 0.475789 0.236809 O\n0.625814 0.812907 0.582000 O\n0.857913 0.715826 0.913267 O\n0.524211 0.048421 0.236809 O\n0.187093 0.374186 0.582000 O\n0.857913 0.142087 0.913267 O\n0.524211 0.475789 0.236809 O\n0.187093 0.812907 0.582000 O\n0.715826 0.857913 0.086733 O\n0.374186 0.187093 0.418000 O\n0.048421 0.524211 0.763191 O\n0.666667 0.333333 0.086743 O\n0.333333 0.666667 0.441467 O\n0.000000 0.000000 0.767822 O\n0.142087 0.284174 0.086733 O\n0.812907 0.625814 0.418000 O\n0.475789 0.951579 0.763191 O\n0.142087 0.857913 0.086733 O\n0.812907 0.187093 0.418000 O\n0.475789 0.524211 0.763191 O\n","nsites":40,"nelements":3,"elements":["Y","V","O"],"chemical_system":"O-V-Y","density":4.3160196314509625,"density_atomic":0.07696067235569344,"volume":519.7459790258818,"volume_molar":7.824958612844669,"formula_full":"Y4 V12 O24","formula_reduced":"YV3O6","formula_anonymous":"AB3C6","energy":-365.30970777,"energy_per_atom":-9.13274269425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-328.42170777,"band_gap":1.2744999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9999011,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.560000Z","spacegroup":164}]}