{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=82","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=80","results":[{"id":"mp-753924","created_at":"2022-09-04T14:40:53.880419Z","structure_string":"Li2 Co4 P4 O16\n1.0\n5.184907 0.000000 0.000000\n0.000000 8.240662 0.000000\n0.000000 2.331804 8.136059\nLi Co P O\n2 4 4 16\ndirect\n0.329777 0.497827 0.280934 Li\n0.670223 0.497827 0.780934 Li\n0.313453 0.116772 0.212531 Co\n0.825708 0.644828 0.380149 Co\n0.686547 0.116772 0.712531 Co\n0.174292 0.644828 0.880149 Co\n0.669544 0.751351 0.010743 P\n0.815471 0.262713 0.333695 P\n0.330456 0.751351 0.510743 P\n0.184529 0.262713 0.833695 P\n0.193856 0.129607 0.005323 O\n0.390962 0.685069 0.055003 O\n0.663057 0.195148 0.208125 O\n0.805229 0.785456 0.157922 O\n0.105812 0.289610 0.278187 O\n0.694808 0.429268 0.347271 O\n0.806144 0.129607 0.505323 O\n0.189719 0.620020 0.438746 O\n0.333731 0.922424 0.372821 O\n0.609038 0.685069 0.555003 O\n0.336943 0.195148 0.708125 O\n0.194771 0.785456 0.657922 O\n0.894188 0.289610 0.778187 O\n0.305192 0.429268 0.847271 O\n0.810281 0.620020 0.938746 O\n0.666269 0.922424 0.872821 O\n","nsites":26,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":3.006961222373138,"density_atomic":0.07479217901546407,"volume":347.62993059239824,"volume_molar":8.051832209294048,"formula_full":"Li2 Co4 P4 O16","formula_reduced":"LiCo2(PO4)2","formula_anonymous":"AB2C2D8","energy":-191.16369724,"energy_per_atom":-7.352449893846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.61969724,"band_gap":0.3360999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000903,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.362000Z","spacegroup":7},{"id":"mp-571490","created_at":"2022-09-04T14:40:53.894713Z","structure_string":"Pr12 C4 Cl20\n1.0\n4.402540 7.065745 0.000000\n-4.402540 7.065745 0.000000\n0.000000 2.043560 15.873022\nPr C Cl\n12 4 20\ndirect\n0.909551 0.656390 0.702243 Pr\n0.714213 0.542917 0.062483 Pr\n0.090449 0.343610 0.297757 Pr\n0.457083 0.285787 0.437517 Pr\n0.003728 0.710256 0.454294 Pr\n0.343610 0.090449 0.797757 Pr\n0.289744 0.996272 0.045706 Pr\n0.285787 0.457083 0.937517 Pr\n0.996272 0.289744 0.545706 Pr\n0.542917 0.714213 0.562483 Pr\n0.656390 0.909551 0.202243 Pr\n0.710256 0.003728 0.954294 Pr\n0.150398 0.390745 0.429674 C\n0.609255 0.849602 0.070326 C\n0.390745 0.150398 0.929674 C\n0.849602 0.609255 0.570326 C\n0.382158 0.652408 0.420948 Cl\n0.617842 0.347592 0.579052 Cl\n0.011059 0.717326 0.265326 Cl\n0.094729 0.847177 0.598956 Cl\n0.905271 0.152823 0.401044 Cl\n0.988941 0.282674 0.734674 Cl\n0.536910 0.721022 0.741721 Cl\n0.098268 0.376643 0.092510 Cl\n0.347592 0.617842 0.079052 Cl\n0.463090 0.278978 0.258279 Cl\n0.721022 0.536910 0.241721 Cl\n0.717326 0.011059 0.765326 Cl\n0.847177 0.094729 0.098956 Cl\n0.152823 0.905271 0.901044 Cl\n0.623357 0.901732 0.407490 Cl\n0.376643 0.098268 0.592510 Cl\n0.278978 0.463090 0.758279 Cl\n0.282674 0.988941 0.234674 Cl\n0.901732 0.623357 0.907490 Cl\n0.652408 0.382158 0.920948 Cl\n","nsites":36,"nelements":3,"elements":["Pr","C","Cl"],"chemical_system":"C-Cl-Pr","density":4.11631563572312,"density_atomic":0.03645453950189607,"volume":987.5313333234556,"volume_molar":16.51959081717869,"formula_full":"Pr12 C4 Cl20","formula_reduced":"Pr3CCl5","formula_anonymous":"AB3C5","energy":-209.06482937,"energy_per_atom":-5.807356371388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.78482937,"band_gap":2.3366,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022575,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.667000Z","spacegroup":15},{"id":"mp-11397","created_at":"2022-09-04T14:40:53.980158Z","structure_string":"Ga3 Ni2\n1.0\n2.044506 -3.541188 0.000000\n2.044506 3.541188 0.000000\n0.000000 0.000000 4.874597\nGa Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.361744 Ga\n0.333333 0.666667 0.638256 Ga\n0.666667 0.333333 0.863631 Ni\n0.333333 0.666667 0.136369 Ni\n","nsites":5,"nelements":2,"elements":["Ga","Ni"],"chemical_system":"Ga-Ni","density":7.682461869291549,"density_atomic":0.07083761301467402,"volume":70.58397067902682,"volume_molar":8.501332136576245,"formula_full":"Ga3 Ni2","formula_reduced":"Ga3Ni2","formula_anonymous":"A2B3","energy":-22.685893310000004,"energy_per_atom":-4.5371786620000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.685893310000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005687,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.172000Z","spacegroup":164},{"id":"mp-1910","created_at":"2022-09-04T14:40:54.096760Z","structure_string":"Ce1 Ni5\n1.0\n2.434578 -4.216813 0.000000\n2.434578 4.216813 0.000000\n0.000000 0.000000 3.988774\nCe Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n","nsites":6,"nelements":2,"elements":["Ce","Ni"],"chemical_system":"Ce-Ni","density":8.791113398633506,"density_atomic":0.07326115969766576,"volume":81.89878545140162,"volume_molar":8.220100234356346,"formula_full":"Ce1 Ni5","formula_reduced":"CeNi5","formula_anonymous":"AB5","energy":-36.90246372,"energy_per_atom":-6.15041062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.90246372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8093121,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.517000Z","spacegroup":191},{"id":"mp-1226351","created_at":"2022-09-04T14:40:53.881136Z","structure_string":"Cs2 Mn4 P12 O36\n1.0\n-2.632591 8.871360 -1.196827\n-4.913009 -0.124178 7.888102\n10.221245 -0.144484 2.758810\nCs Mn P O\n2 4 12 36\ndirect\n0.992383 0.489708 0.993620 Cs\n0.992150 0.489125 0.492906 Cs\n0.499462 0.499623 0.999856 Mn\n0.999509 0.998634 0.499645 Mn\n0.499471 0.499532 0.499857 Mn\n0.999605 0.998720 0.999411 Mn\n0.452486 0.708261 0.799732 P\n0.451361 0.708948 0.301012 P\n0.547721 0.289633 0.698003 P\n0.546585 0.290424 0.199154 P\n0.740843 0.750107 0.746352 P\n0.739512 0.750794 0.248292 P\n0.258648 0.248891 0.252871 P\n0.259880 0.248357 0.750953 P\n0.772067 0.048808 0.698318 P\n0.771492 0.049210 0.199483 P\n0.227474 0.950066 0.799601 P\n0.226731 0.950351 0.300710 P\n0.441294 0.671429 0.927193 O\n0.439267 0.670651 0.427625 O\n0.560820 0.328190 0.571836 O\n0.558614 0.327780 0.072203 O\n0.627189 0.759590 0.834465 O\n0.626451 0.759665 0.336830 O\n0.372314 0.240585 0.661947 O\n0.371605 0.240634 0.164227 O\n0.697519 0.884494 0.180304 O\n0.699209 0.883321 0.677636 O\n0.301255 0.115073 0.320563 O\n0.302847 0.114095 0.817988 O\n0.700514 0.604591 0.128396 O\n0.701834 0.603979 0.626529 O\n0.297686 0.394594 0.373139 O\n0.298890 0.394229 0.871172 O\n0.890307 0.108213 0.839068 O\n0.891182 0.108346 0.339421 O\n0.106682 0.891748 0.660419 O\n0.107649 0.891743 0.160567 O\n0.898565 0.771902 0.847376 O\n0.897467 0.772257 0.348830 O\n0.101606 0.226797 0.650895 O\n0.100571 0.227207 0.152409 O\n0.392470 0.591173 0.660341 O\n0.390913 0.593713 0.160600 O\n0.609158 0.404136 0.838861 O\n0.607669 0.406628 0.339075 O\n0.617093 0.132173 0.697043 O\n0.617659 0.134168 0.200518 O\n0.380176 0.863710 0.797388 O\n0.380731 0.865597 0.301376 O\n0.806674 0.045424 0.569447 O\n0.804923 0.044396 0.069768 O\n0.195004 0.956381 0.930090 O\n0.192810 0.955394 0.430284 O\n","nsites":54,"nelements":4,"elements":["Cs","Mn","P","O"],"chemical_system":"Cs-Mn-O-P","density":2.863795588902498,"density_atomic":0.06497881842596086,"volume":831.0400420950942,"volume_molar":9.267852056838857,"formula_full":"Cs2 Mn4 P12 O36","formula_reduced":"CsMn2(PO3)6","formula_anonymous":"AB2C6D18","energy":-421.35874212,"energy_per_atom":-7.802939668888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.95474212,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.24e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.258000Z","spacegroup":1},{"id":"mp-1186526","created_at":"2022-09-04T14:40:54.276181Z","structure_string":"Pm3 Pr1\n1.0\n-2.592370 2.592370 5.233609\n2.592370 -2.592370 5.233609\n2.592370 2.592370 -5.233609\nPm Pr\n3 1\ndirect\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n0.000000 0.000000 0.000000 Pr\n","nsites":4,"nelements":2,"elements":["Pm","Pr"],"chemical_system":"Pm-Pr","density":6.79746071065507,"density_atomic":0.0284318259875734,"volume":140.68741141523117,"volume_molar":21.180984867563822,"formula_full":"Pm3 Pr1","formula_reduced":"Pm3Pr","formula_anonymous":"AB3","energy":-18.97606751,"energy_per_atom":-4.7440168775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.97606751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022924,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.643000Z","spacegroup":139},{"id":"mp-1521428","created_at":"2022-09-04T14:40:54.279930Z","structure_string":"Sr2 Eu1 V1 O6\n1.0\n0.000000 -4.147033 -4.147033\n4.147033 0.000000 -4.147033\n4.147033 -4.147033 0.000000\nSr Eu V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 V\n0.728773 0.271227 0.271227 O\n0.271227 0.728773 0.728773 O\n0.728773 0.271227 0.728773 O\n0.271227 0.728773 0.271227 O\n0.728773 0.728773 0.271227 O\n0.271227 0.271227 0.728773 O\n","nsites":10,"nelements":4,"elements":["Sr","Eu","V","O"],"chemical_system":"Eu-O-Sr-V","density":5.51969351229958,"density_atomic":0.07010637805815945,"volume":142.6403741996786,"volume_molar":8.59000411489537,"formula_full":"Sr2 Eu1 V1 O6","formula_reduced":"Sr2EuVO6","formula_anonymous":"ABC2D6","energy":-81.42977396,"energy_per_atom":-8.142977396000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.60777396,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.298000Z","spacegroup":225},{"id":"mp-766569","created_at":"2022-09-04T14:40:54.318404Z","structure_string":"Li4 Fe1 Ni5 P6 O24\n1.0\n8.330957 0.000000 0.000000\n3.735541 7.519208 0.000000\n3.760269 2.358691 7.143670\nLi Fe Ni P O\n4 1 5 6 24\ndirect\n0.747446 0.145580 0.356137 Li\n0.264502 0.854237 0.645289 Li\n0.644620 0.263734 0.854841 Li\n0.854746 0.644610 0.265056 Li\n0.851002 0.849432 0.851681 Fe\n0.007849 0.002432 0.996988 Ni\n0.357959 0.356367 0.356770 Ni\n0.493530 0.502504 0.498859 Ni\n0.142570 0.144461 0.144984 Ni\n0.645494 0.646493 0.648460 Ni\n0.055972 0.746870 0.445838 P\n0.442544 0.052071 0.751454 P\n0.749217 0.444767 0.051995 P\n0.249343 0.547688 0.953216 P\n0.552396 0.954315 0.250320 P\n0.947932 0.248724 0.546090 P\n0.472662 0.895904 0.684037 O\n0.680100 0.474689 0.897785 O\n0.898156 0.678499 0.476250 O\n0.053663 0.911995 0.258014 O\n0.012960 0.815782 0.607914 O\n0.250812 0.598302 0.431420 O\n0.248630 0.072357 0.903656 O\n0.451050 0.240619 0.589631 O\n0.179845 0.392133 0.988482 O\n0.603050 0.428792 0.251742 O\n0.096541 0.749129 0.929375 O\n0.389495 0.000547 0.187587 O\n0.605496 0.008083 0.822694 O\n0.898689 0.246269 0.074363 O\n0.400782 0.568061 0.753127 O\n0.820562 0.604467 0.011219 O\n0.568388 0.754034 0.402943 O\n0.753743 0.925286 0.094485 O\n0.748693 0.403178 0.572161 O\n0.963173 0.183012 0.396226 O\n0.929360 0.094570 0.748020 O\n0.111591 0.309754 0.501237 O\n0.316658 0.512242 0.108875 O\n0.538776 0.105012 0.313778 O\n","nsites":40,"nelements":5,"elements":["Li","Fe","Ni","P","O"],"chemical_system":"Fe-Li-Ni-O-P","density":3.5137167726140883,"density_atomic":0.08938643477755182,"volume":447.4951943160558,"volume_molar":6.737197623987099,"formula_full":"Li4 Fe1 Ni5 P6 O24","formula_reduced":"Li4FeNi5(PO4)6","formula_anonymous":"AB4C5D6E24","energy":-285.37187486,"energy_per_atom":-7.1342968715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.92287486,"band_gap":3.0371,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9998481,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.983000Z","spacegroup":1},{"id":"mp-676727","created_at":"2022-09-04T14:40:54.346913Z","structure_string":"Sr18 Th1 Cl40\n1.0\n4.307811 -0.000003 2.487293\n1.435934 4.061444 2.487293\n-0.242936 -0.171781 94.937887\nSr Th Cl\n18 1 40\ndirect\n0.996249 0.996249 0.053225 Sr\n0.997296 0.997296 0.105689 Sr\n0.999958 0.999958 0.157900 Sr\n-0.000005 -0.000005 0.210525 Sr\n0.999996 0.999996 0.263159 Sr\n0.999996 0.999996 0.315793 Sr\n0.999986 0.999986 0.368421 Sr\n0.999990 0.999990 0.421053 Sr\n0.000000 0.000000 0.473686 Sr\n-0.000000 -0.000000 0.526314 Sr\n0.000010 0.000010 0.578947 Sr\n0.000014 0.000014 0.631579 Sr\n0.000004 0.000004 0.684207 Sr\n0.000004 0.000004 0.736841 Sr\n0.000005 0.000005 0.789475 Sr\n0.000042 0.000042 0.842100 Sr\n0.002704 0.002704 0.894311 Sr\n0.003751 0.003751 0.946775 Sr\n0.000000 0.000000 0.000000 Th\n0.248269 0.248269 0.013428 Cl\n0.520392 0.520392 0.023092 Cl\n0.241560 0.241560 0.067126 Cl\n0.753163 0.753163 0.038972 Cl\n0.248425 0.248425 0.118671 Cl\n0.748760 0.748760 0.092304 Cl\n0.249553 0.249553 0.171123 Cl\n0.749360 0.749360 0.144840 Cl\n0.249546 0.249546 0.223755 Cl\n0.750453 0.750453 0.197298 Cl\n0.249552 0.249552 0.276386 Cl\n0.750440 0.750440 0.249932 Cl\n0.249574 0.249574 0.329014 Cl\n0.750477 0.750477 0.302558 Cl\n0.249514 0.249514 0.381649 Cl\n0.249526 0.249526 0.434283 Cl\n0.750455 0.750455 0.355190 Cl\n0.249543 0.249543 0.486913 Cl\n0.750428 0.750428 0.407826 Cl\n0.750449 0.750449 0.460458 Cl\n0.249551 0.249551 0.539542 Cl\n0.750457 0.750457 0.513087 Cl\n0.249572 0.249572 0.592174 Cl\n0.750474 0.750474 0.565717 Cl\n0.249545 0.249545 0.644810 Cl\n0.750486 0.750486 0.618351 Cl\n0.249523 0.249523 0.697442 Cl\n0.249560 0.249560 0.750068 Cl\n0.750426 0.750426 0.670986 Cl\n0.750448 0.750448 0.723614 Cl\n0.249547 0.249547 0.802702 Cl\n0.250640 0.250640 0.855160 Cl\n0.750454 0.750454 0.776245 Cl\n0.251240 0.251240 0.907696 Cl\n0.750447 0.750447 0.828877 Cl\n0.246837 0.246837 0.961028 Cl\n0.751575 0.751575 0.881329 Cl\n0.479608 0.479608 0.976908 Cl\n0.758440 0.758440 0.932874 Cl\n0.751731 0.751731 0.986572 Cl\n","nsites":59,"nelements":3,"elements":["Sr","Th","Cl"],"chemical_system":"Cl-Sr-Th","density":3.2192348334397605,"density_atomic":0.035441639535118266,"volume":1664.708539838805,"volume_molar":16.991710425903985,"formula_full":"Sr18 Th1 Cl40","formula_reduced":"Sr18ThCl40","formula_anonymous":"AB18C40","energy":-277.87063872,"energy_per_atom":-4.709671842711864,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.31063872,"band_gap":2.2452,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009095,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.301000Z","spacegroup":166},{"id":"mp-683963","created_at":"2022-09-04T14:40:54.352127Z","structure_string":"Gd24 Ru8 O56\n1.0\n7.440500 0.000000 0.000000\n0.000000 10.666097 0.000000\n0.000000 0.000000 14.783660\nGd Ru O\n24 8 56\ndirect\n0.250002 0.729435 0.471947 Gd\n0.743109 0.717366 0.272833 Gd\n0.249998 0.729435 0.971947 Gd\n0.243109 0.217366 0.227167 Gd\n0.256891 0.217366 0.727167 Gd\n0.750002 0.229435 0.028053 Gd\n0.755308 0.269506 0.777459 Gd\n0.756891 0.717366 0.772833 Gd\n0.763596 0.779841 0.021555 Gd\n0.003625 0.007243 0.388650 Gd\n0.255308 0.769506 0.722541 Gd\n0.503625 0.507243 0.111350 Gd\n0.004151 0.490683 0.138368 Gd\n0.244692 0.769506 0.222541 Gd\n0.504151 0.990683 0.361632 Gd\n0.996375 0.507243 0.611350 Gd\n0.263596 0.279841 0.478445 Gd\n0.744692 0.269506 0.277459 Gd\n0.736404 0.779841 0.521555 Gd\n0.995849 0.990683 0.861632 Gd\n0.495849 0.490683 0.638368 Gd\n0.749998 0.229435 0.528053 Gd\n0.236404 0.279841 0.978445 Gd\n0.496375 0.007243 0.888650 Gd\n0.497483 0.499757 0.373024 Ru\n0.997483 0.999757 0.126976 Ru\n0.998449 0.498166 0.375588 Ru\n0.002517 0.499757 0.873024 Ru\n0.498449 0.998166 0.124412 Ru\n0.001551 0.998166 0.624412 Ru\n0.502517 0.999757 0.626976 Ru\n0.501551 0.498166 0.875588 Ru\n0.957320 0.626744 0.468931 O\n0.266539 0.633842 0.605740 O\n0.733461 0.133842 0.394260 O\n0.265042 0.368590 0.118733 O\n0.233461 0.633842 0.105740 O\n0.037149 0.368062 0.279859 O\n0.958924 0.105645 0.237289 O\n0.542680 0.626744 0.968931 O\n0.042680 0.126744 0.531069 O\n0.541076 0.105645 0.737289 O\n0.465838 0.871273 0.029506 O\n0.234958 0.368590 0.618733 O\n0.458924 0.605645 0.262711 O\n0.462851 0.368062 0.779859 O\n0.537149 0.868062 0.220141 O\n0.959886 0.396275 0.984655 O\n0.964684 0.123890 0.719854 O\n0.741342 0.630073 0.631384 O\n0.034162 0.871273 0.529506 O\n0.457320 0.126744 0.031069 O\n0.241342 0.130073 0.868616 O\n0.955950 0.656104 0.938102 O\n0.750994 0.490958 0.830703 O\n0.250994 0.990958 0.669297 O\n0.762421 0.366036 0.643890 O\n0.950895 0.848627 0.194188 O\n0.041076 0.605645 0.762711 O\n0.534162 0.371273 0.970494 O\n0.540114 0.396275 0.484655 O\n0.251149 0.507376 0.918984 O\n0.965838 0.371273 0.470494 O\n0.748851 0.007376 0.081016 O\n0.049105 0.348627 0.805812 O\n0.249006 0.990958 0.169297 O\n0.035316 0.623890 0.280146 O\n0.544050 0.656104 0.438102 O\n0.758658 0.630073 0.131384 O\n0.734958 0.868590 0.881267 O\n0.459886 0.896275 0.515345 O\n0.262421 0.866035 0.856110 O\n0.044050 0.156104 0.061898 O\n0.455950 0.156104 0.561898 O\n0.258658 0.130073 0.368616 O\n0.749006 0.490958 0.330703 O\n0.962851 0.868062 0.720141 O\n0.248851 0.507376 0.418984 O\n0.535316 0.123890 0.219854 O\n0.549105 0.848627 0.694188 O\n0.040114 0.896275 0.015345 O\n0.766539 0.133842 0.894260 O\n0.237579 0.866035 0.356110 O\n0.464684 0.623890 0.780146 O\n0.737579 0.366036 0.143890 O\n0.751149 0.007376 0.581016 O\n0.450895 0.348627 0.305812 O\n0.765042 0.868590 0.381267 O\n","nsites":88,"nelements":3,"elements":["Gd","Ru","O"],"chemical_system":"Gd-O-Ru","density":7.753954358907234,"density_atomic":0.0750054906345634,"volume":1173.2474416939363,"volume_molar":8.028933227489519,"formula_full":"Gd24 Ru8 O56","formula_reduced":"Gd3RuO7","formula_anonymous":"AB3C7","energy":-963.45091227,"energy_per_atom":-10.94830582125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-924.97891227,"band_gap":0.1542000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":159.947211,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.217000Z","spacegroup":33},{"id":"mp-757442","created_at":"2022-09-04T14:40:53.889669Z","structure_string":"Ca12 In8 O24\n1.0\n3.262277 0.000000 0.000000\n0.000000 11.049781 0.000000\n0.000000 0.000000 16.758389\nCa In O\n12 8 24\ndirect\n0.000000 0.842317 0.857066 Ca\n0.500000 0.868319 0.648386 Ca\n0.500000 0.885235 0.046774 Ca\n0.500000 0.114765 0.546774 Ca\n0.500000 0.131681 0.148386 Ca\n0.000000 0.157683 0.357066 Ca\n0.000000 0.344948 0.642265 Ca\n0.500000 0.368163 0.851619 Ca\n0.000000 0.381707 0.045874 Ca\n0.000000 0.618293 0.545874 Ca\n0.500000 0.631837 0.351619 Ca\n0.000000 0.655052 0.142265 Ca\n0.000000 0.880873 0.454263 In\n0.500000 0.904327 0.272902 In\n0.500000 0.095673 0.772902 In\n0.000000 0.119127 0.954263 In\n0.500000 0.387514 0.457826 In\n0.500000 0.401875 0.232377 In\n0.500000 0.598125 0.732377 In\n0.500000 0.612486 0.957826 In\n0.000000 0.743948 0.996715 O\n0.500000 0.754082 0.492934 O\n0.500000 0.794540 0.169108 O\n0.000000 0.794838 0.334882 O\n0.000000 0.965681 0.744959 O\n0.500000 0.991924 0.907159 O\n0.000000 0.968326 0.568885 O\n0.000000 0.031674 0.068885 O\n0.500000 0.008076 0.407159 O\n0.000000 0.034319 0.244959 O\n0.000000 0.205162 0.834882 O\n0.500000 0.205460 0.669108 O\n0.500000 0.245918 0.992934 O\n0.000000 0.256052 0.496715 O\n0.500000 0.298350 0.339877 O\n0.000000 0.294327 0.173379 O\n0.000000 0.466713 0.754461 O\n0.500000 0.474803 0.582113 O\n0.000000 0.482746 0.926168 O\n0.000000 0.517254 0.426168 O\n0.500000 0.525197 0.082113 O\n0.000000 0.533287 0.254461 O\n0.000000 0.705673 0.673379 O\n0.500000 0.701650 0.839877 O\n","nsites":44,"nelements":3,"elements":["Ca","In","O"],"chemical_system":"Ca-In-O","density":4.902381022057135,"density_atomic":0.0728359693455293,"volume":604.0971294178395,"volume_molar":8.26808624105947,"formula_full":"Ca12 In8 O24","formula_reduced":"Ca3In2O6","formula_anonymous":"A2B3C6","energy":-283.32159266,"energy_per_atom":-6.439127105909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.83359266,"band_gap":1.9618,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024326,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.528000Z","spacegroup":26},{"id":"mp-1517333","created_at":"2022-09-04T14:40:53.899337Z","structure_string":"Na1 Sr1 Y1 Se1 O6\n1.0\n0.000000 -4.027568 -4.027568\n4.027568 0.000000 -4.027568\n4.027568 -4.027568 0.000000\nNa Sr Y Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Se\n0.774018 0.225982 0.225982 O\n0.225982 0.774018 0.774018 O\n0.774018 0.225982 0.774018 O\n0.225982 0.774018 0.225982 O\n0.774018 0.774018 0.225982 O\n0.225982 0.225982 0.774018 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Y","Se","O"],"chemical_system":"Na-O-Se-Sr-Y","density":4.75893561884305,"density_atomic":0.07653169983022312,"volume":130.66480977403955,"volume_molar":7.8688187683789,"formula_full":"Na1 Sr1 Y1 Se1 O6","formula_reduced":"NaSrYSeO6","formula_anonymous":"ABCDE6","energy":-66.92188525,"energy_per_atom":-6.692188525000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.79988525,"band_gap":2.0769999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.112000Z","spacegroup":216}]}