{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=10184","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=10182","results":[{"id":"mp-1340191","created_at":"2022-09-04T14:48:09.123911Z","structure_string":"Co2 Si4 O12\n1.0\n4.292188 4.745655 0.000000\n-4.292188 4.745655 0.000000\n0.000000 1.825239 5.013855\nCo Si O\n2 4 12\ndirect\n0.899572 0.100428 0.500000 Co\n0.093256 0.906744 0.000000 Co\n0.790339 0.618311 0.489140 Si\n0.213386 0.388156 0.002567 Si\n0.381689 0.209661 0.510860 Si\n0.611844 0.786614 0.997433 Si\n0.361767 0.350127 0.218326 O\n0.909565 0.378009 0.525694 O\n0.186192 0.031671 0.627912 O\n0.633146 0.643036 0.288131 O\n0.090435 0.625203 0.968459 O\n0.814754 0.958812 0.893608 O\n0.621991 0.090435 0.474306 O\n0.968329 0.813808 0.372088 O\n0.356964 0.366854 0.711869 O\n0.649873 0.638233 0.781674 O\n0.041188 0.185246 0.106392 O\n0.374797 0.909565 0.031541 O\n","nsites":18,"nelements":3,"elements":["Co","Si","O"],"chemical_system":"Co-O-Si","density":3.4323525231513505,"density_atomic":0.08812433255127286,"volume":204.25686616720947,"volume_molar":6.833686662530095,"formula_full":"Co2 Si4 O12","formula_reduced":"Co(SiO3)2","formula_anonymous":"AB2C6","energy":-137.37744078,"energy_per_atom":-7.632080043333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.85744078,"band_gap":0.1536999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.74e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.986000Z","spacegroup":5},{"id":"mp-1042286","created_at":"2022-09-04T14:45:20.636307Z","structure_string":"Co8 Si16 O48\n1.0\n5.104953 0.000000 0.000000\n0.000000 10.790964 0.000000\n0.000000 0.000000 18.472324\nCo Si O\n8 16 48\ndirect\n0.439364 0.542356 0.373865 Co\n0.560636 0.457644 0.626135 Co\n0.939364 0.457644 0.126135 Co\n0.060636 0.542356 0.873865 Co\n0.439364 0.042356 0.126135 Co\n0.560636 0.957644 0.873865 Co\n0.939364 0.957644 0.373865 Co\n0.060636 0.042356 0.626135 Co\n0.625105 0.168572 0.276444 Si\n0.766908 0.329469 0.974262 Si\n0.733092 0.329469 0.474262 Si\n0.874895 0.668572 0.723556 Si\n0.125105 0.831428 0.223556 Si\n0.374895 0.331428 0.776444 Si\n0.266908 0.170531 0.974262 Si\n0.766908 0.829469 0.525738 Si\n0.733092 0.829469 0.025738 Si\n0.874895 0.168572 0.776444 Si\n0.374895 0.831428 0.723556 Si\n0.625105 0.668572 0.223556 Si\n0.233092 0.670531 0.025738 Si\n0.125105 0.331428 0.276444 Si\n0.233092 0.170531 0.474262 Si\n0.266908 0.670531 0.525738 Si\n0.796495 0.046136 0.824403 O\n0.336910 0.549081 0.575132 O\n0.203505 0.953864 0.175597 O\n0.777571 0.861802 0.439241 O\n0.277571 0.638198 0.439241 O\n0.970739 0.717115 0.545003 O\n0.875918 0.132608 0.690094 O\n0.124082 0.367392 0.190094 O\n0.777571 0.361802 0.060759 O\n0.875918 0.632608 0.809906 O\n0.296495 0.953864 0.675597 O\n0.722429 0.861802 0.939241 O\n0.663090 0.450919 0.424868 O\n0.375918 0.367392 0.690094 O\n0.703505 0.546136 0.175597 O\n0.336910 0.049081 0.924868 O\n0.296495 0.453864 0.824403 O\n0.167621 0.220353 0.795351 O\n0.332379 0.220353 0.295351 O\n0.529261 0.217115 0.454997 O\n0.722429 0.361802 0.560759 O\n0.624082 0.132608 0.190094 O\n0.836910 0.950919 0.575132 O\n0.167621 0.720353 0.704649 O\n0.222429 0.638198 0.939241 O\n0.624082 0.632608 0.309906 O\n0.663090 0.950919 0.075132 O\n0.277571 0.138198 0.060759 O\n0.163090 0.049081 0.424868 O\n0.667621 0.279647 0.795351 O\n0.203505 0.453864 0.324403 O\n0.832379 0.279647 0.295351 O\n0.832379 0.779647 0.204649 O\n0.836910 0.450919 0.924868 O\n0.222429 0.138198 0.560759 O\n0.163090 0.549081 0.075132 O\n0.332379 0.720353 0.204649 O\n0.029261 0.282885 0.454997 O\n0.470739 0.282885 0.954997 O\n0.667621 0.779647 0.704649 O\n0.470739 0.782885 0.545003 O\n0.529261 0.717115 0.045003 O\n0.029261 0.782885 0.045003 O\n0.375918 0.867392 0.809906 O\n0.703505 0.046136 0.324403 O\n0.970739 0.217115 0.954997 O\n0.124082 0.867392 0.309906 O\n0.796495 0.546136 0.675597 O\n","nsites":72,"nelements":3,"elements":["Co","Si","O"],"chemical_system":"Co-O-Si","density":2.7558464299827596,"density_atomic":0.0707552984776354,"volume":1017.5916369395012,"volume_molar":8.511222324789573,"formula_full":"Co8 Si16 O48","formula_reduced":"Co(SiO3)2","formula_anonymous":"AB2C6","energy":-552.97733,"energy_per_atom":-7.6802406944444455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-506.89733,"band_gap":0.8842000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.9851485,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.620000Z","spacegroup":61},{"id":"mp-699575","created_at":"2022-09-04T14:39:05.662655Z","structure_string":"Co16 Si16 O48\n1.0\n5.264575 0.000000 0.000000\n0.000000 9.044314 0.000000\n0.000000 0.000000 18.463858\nCo Si O\n16 16 48\ndirect\n0.624866 0.153328 0.376077 Co\n0.863923 0.009458 0.623057 Co\n0.636077 0.009458 0.123057 Co\n0.136077 0.490542 0.123057 Co\n0.136077 0.990542 0.376943 Co\n0.375134 0.346672 0.876077 Co\n0.375134 0.846672 0.623923 Co\n0.363923 0.990542 0.876943 Co\n0.863923 0.509458 0.876943 Co\n0.624866 0.653328 0.123923 Co\n0.875134 0.653328 0.623923 Co\n0.636077 0.509458 0.376943 Co\n0.875134 0.153328 0.876077 Co\n0.124866 0.346672 0.376077 Co\n0.363923 0.490542 0.623057 Co\n0.124866 0.846672 0.123923 Co\n0.554406 0.159827 0.727916 Si\n0.290769 0.664765 0.972569 Si\n0.709231 0.335235 0.027431 Si\n0.054406 0.840173 0.772084 Si\n0.790769 0.335235 0.527431 Si\n0.554406 0.659827 0.772084 Si\n0.945594 0.159827 0.227916 Si\n0.209231 0.164765 0.027431 Si\n0.445594 0.340173 0.227916 Si\n0.054406 0.340173 0.727916 Si\n0.790769 0.835235 0.972569 Si\n0.709231 0.835235 0.472569 Si\n0.290769 0.164765 0.527431 Si\n0.945594 0.659827 0.272084 Si\n0.445594 0.840173 0.272084 Si\n0.209231 0.664765 0.472569 Si\n0.789309 0.838564 0.061535 O\n0.042281 0.839360 0.683441 O\n0.908576 0.199334 0.052570 O\n0.042281 0.339360 0.816559 O\n0.542281 0.160640 0.816559 O\n0.710691 0.838564 0.561535 O\n0.826547 0.730782 0.802577 O\n0.091424 0.800666 0.947430 O\n0.457719 0.339360 0.316559 O\n0.591424 0.199334 0.552570 O\n0.940754 0.498601 0.310356 O\n0.691186 0.482245 0.568363 O\n0.408576 0.800666 0.447430 O\n0.289309 0.661436 0.061535 O\n0.673453 0.230782 0.197423 O\n0.173453 0.269218 0.197423 O\n0.440754 0.001399 0.310356 O\n0.308814 0.517755 0.431637 O\n0.559246 0.498601 0.810356 O\n0.673453 0.730782 0.302577 O\n0.808814 0.482245 0.068363 O\n0.940754 0.998601 0.189644 O\n0.591424 0.699334 0.947430 O\n0.908576 0.699334 0.447430 O\n0.957719 0.660640 0.183441 O\n0.710691 0.338564 0.938465 O\n0.808814 0.982245 0.431637 O\n0.059246 0.501399 0.689644 O\n0.559246 0.998601 0.689644 O\n0.173453 0.769218 0.302577 O\n0.210691 0.161436 0.938465 O\n0.542281 0.660640 0.683441 O\n0.440754 0.501399 0.189644 O\n0.408576 0.300666 0.052570 O\n0.289309 0.161436 0.438465 O\n0.826547 0.230782 0.697423 O\n0.191186 0.017755 0.568363 O\n0.059246 0.001399 0.810356 O\n0.457719 0.839360 0.183441 O\n0.326547 0.769218 0.802577 O\n0.789309 0.338564 0.438465 O\n0.326547 0.269218 0.697423 O\n0.691186 0.982245 0.931637 O\n0.191186 0.517755 0.931637 O\n0.957719 0.160640 0.316559 O\n0.091424 0.300666 0.552570 O\n0.210691 0.661436 0.561535 O\n0.308814 0.017755 0.068363 O\n","nsites":80,"nelements":3,"elements":["Co","Si","O"],"chemical_system":"Co-O-Si","density":4.080334769363951,"density_atomic":0.09099731680810585,"volume":879.1468013139676,"volume_molar":6.617932232770581,"formula_full":"Co16 Si16 O48","formula_reduced":"CoSiO3","formula_anonymous":"ABC3","energy":-634.48306538,"energy_per_atom":-7.93103831725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-575.29906538,"band_gap":2.6041,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0057909,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.040000Z","spacegroup":61},{"id":"mp-1102115","created_at":"2022-09-04T14:43:19.337713Z","structure_string":"Co4 Si4 Ni4\n1.0\n4.998624 0.000000 0.000000\n0.000000 3.696365 0.000000\n0.000000 0.000000 7.060644\nCo Si Ni\n4 4 4\ndirect\n0.037504 0.250000 0.289765 Co\n0.537504 0.250000 0.210235 Co\n0.962496 0.750000 0.710235 Co\n0.462496 0.750000 0.789765 Co\n0.207500 0.250000 0.609417 Si\n0.707500 0.250000 0.890583 Si\n0.792500 0.750000 0.390583 Si\n0.292500 0.750000 0.109417 Si\n0.170702 0.250000 0.935255 Ni\n0.670702 0.250000 0.564745 Ni\n0.829298 0.750000 0.064745 Ni\n0.329298 0.750000 0.435255 Ni\n","nsites":12,"nelements":3,"elements":["Co","Si","Ni"],"chemical_system":"Co-Ni-Si","density":7.418823807719151,"density_atomic":0.09198385609478074,"volume":130.45767496021395,"volume_molar":6.5469540152727985,"formula_full":"Co4 Si4 Ni4","formula_reduced":"CoSiNi","formula_anonymous":"ABC","energy":-78.88667814,"energy_per_atom":-6.573889845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.17067814,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1328926,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.925000Z","spacegroup":62},{"id":"mp-1193831","created_at":"2022-09-04T14:41:27.698616Z","structure_string":"Co2 Si2 N10 Cl2 F12\n1.0\n6.772365 0.000000 0.000000\n0.000000 7.381283 0.000000\n0.000000 1.826377 10.536248\nCo Si N Cl F\n2 2 10 2 12\ndirect\n0.750000 0.851906 0.926322 Co\n0.250000 0.148094 0.073678 Co\n0.750000 0.664105 0.704559 Si\n0.250000 0.335895 0.295441 Si\n0.750000 0.739829 0.379759 N\n0.250000 0.260171 0.620241 N\n0.925697 0.742173 0.379413 N\n0.425697 0.257827 0.620587 N\n0.074303 0.257827 0.620587 N\n0.574303 0.742173 0.379413 N\n0.832520 0.572800 0.106568 N\n0.332520 0.427200 0.893432 N\n0.167480 0.427200 0.893432 N\n0.667480 0.572800 0.106568 N\n0.750000 0.083835 0.021687 Cl\n0.250000 0.916165 0.978313 Cl\n0.750000 0.472719 0.810453 F\n0.250000 0.527281 0.189547 F\n0.750000 0.876844 0.623502 F\n0.250000 0.123156 0.376498 F\n0.929388 0.755781 0.816381 F\n0.429388 0.244219 0.183619 F\n0.070612 0.244219 0.183619 F\n0.570612 0.755781 0.816381 F\n0.937576 0.598000 0.621637 F\n0.437576 0.402000 0.378363 F\n0.062424 0.402000 0.378363 F\n0.562424 0.598000 0.621637 F\n","nsites":28,"nelements":5,"elements":["Co","Si","N","Cl","F"],"chemical_system":"Cl-Co-F-N-Si","density":1.932614171898139,"density_atomic":0.053161819157765994,"volume":526.6937897084679,"volume_molar":11.327943353722262,"formula_full":"Co2 Si2 N10 Cl2 F12","formula_reduced":"CoSiN5ClF6","formula_anonymous":"ABCD5E6","energy":-171.81186336,"energy_per_atom":-6.136137977142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.76386336,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000974,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.467000Z","spacegroup":11},{"id":"mp-1147704","created_at":"2022-09-04T14:40:36.411443Z","structure_string":"Co2 Si2 N4\n1.0\n3.928076 0.000000 -1.785259\n-0.811377 3.843364 -1.785259\n-0.028676 -0.035361 5.150975\nCo Si N\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.835800 0.875000 0.250000 N\n0.625000 0.164200 0.750000 N\n0.414200 0.375000 0.250000 N\n0.125000 0.585800 0.750000 N\n","nsites":8,"nelements":3,"elements":["Co","Si","N"],"chemical_system":"Co-N-Si","density":4.944198727023426,"density_atomic":0.10353514187440427,"volume":77.2684506455266,"volume_molar":5.8165185761809255,"formula_full":"Co2 Si2 N4","formula_reduced":"CoSiN2","formula_anonymous":"ABC2","energy":-62.90625704,"energy_per_atom":-7.86328213,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.46225704,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0143778,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.740000Z","spacegroup":122},{"id":"mp-1226108","created_at":"2022-09-04T14:42:56.384388Z","structure_string":"Co4 Si4 Mo4\n1.0\n2.424995 -4.108460 0.000000\n2.424995 4.108460 0.000000\n0.000000 0.000000 7.452396\nCo Si Mo\n4 4 4\ndirect\n0.002052 0.997948 0.262359 Co\n0.002052 0.997948 0.737641 Co\n0.161889 0.352096 0.000000 Co\n0.647904 0.838111 0.000000 Co\n0.160450 0.839550 0.000000 Si\n0.834298 0.658989 0.500000 Si\n0.341011 0.165702 0.500000 Si\n0.832325 0.167675 0.500000 Si\n0.338422 0.661578 0.683163 Mo\n0.670578 0.329422 0.812704 Mo\n0.670578 0.329422 0.187296 Mo\n0.338422 0.661578 0.316837 Mo\n","nsites":12,"nelements":3,"elements":["Co","Si","Mo"],"chemical_system":"Co-Mo-Si","density":8.18363615626116,"density_atomic":0.08081005750286077,"volume":148.49636754156728,"volume_molar":7.452216897366778,"formula_full":"Co4 Si4 Mo4","formula_reduced":"CoSiMo","formula_anonymous":"ABC","energy":-97.47269430999998,"energy_per_atom":-8.122724525833332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.75669431,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002136,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.495000Z","spacegroup":38},{"id":"mp-1226454","created_at":"2022-09-04T14:46:26.184279Z","structure_string":"Co2 Si2 H30 N12 O4 F12\n1.0\n6.632275 0.007914 -1.374029\n0.007001 8.173278 -0.014946\n-0.155515 -0.018533 10.471425\nCo Si H N O F\n2 2 30 12 4 12\ndirect\n0.260359 0.250397 0.283449 Co\n0.739641 0.749603 0.716551 Co\n0.165877 0.251809 0.808776 Si\n0.834123 0.748191 0.191224 Si\n0.352553 0.394708 0.080448 H\n0.646796 0.896052 0.918278 H\n0.647447 0.605292 0.919552 H\n0.353204 0.103948 0.081722 H\n0.219076 0.401105 0.499790 H\n0.777188 0.901667 0.499586 H\n0.780924 0.598895 0.500210 H\n0.222812 0.098333 0.500414 H\n0.192816 0.543891 0.383415 H\n0.804902 0.044554 0.616272 H\n0.807184 0.456109 0.616585 H\n0.195098 0.955446 0.383728 H\n0.004102 0.423824 0.389106 H\n0.993424 0.924961 0.608250 H\n0.995898 0.576176 0.610894 H\n0.006576 0.075039 0.391750 H\n0.490925 0.484752 0.212627 H\n0.508944 0.986600 0.786608 H\n0.509075 0.515247 0.787373 H\n0.491056 0.013400 0.213392 H\n0.247772 0.530842 0.160152 H\n0.752745 0.030719 0.839114 H\n0.752228 0.469158 0.839848 H\n0.247255 0.969281 0.160886 H\n0.000238 0.203243 0.069887 H\n0.999762 0.796757 0.930113 H\n0.936447 0.370848 0.141888 H\n0.063553 0.629152 0.858112 H\n0.883048 0.185132 0.191680 H\n0.116952 0.814868 0.808320 H\n0.350668 0.436876 0.172686 N\n0.648930 0.937663 0.826180 N\n0.649332 0.563124 0.827314 N\n0.351070 0.062337 0.173820 N\n0.988715 0.252427 0.158497 N\n0.011285 0.747573 0.841503 N\n0.158499 0.425346 0.402954 N\n0.839289 0.925916 0.596198 N\n0.841501 0.574654 0.597046 N\n0.160711 0.074084 0.403802 N\n0.527707 0.250484 0.401510 N\n0.472293 0.749516 0.598490 N\n0.680989 0.250209 0.354838 O\n0.319011 0.749791 0.645162 O\n0.536036 0.250497 0.521311 O\n0.463964 0.749503 0.478689 O\n0.927933 0.250816 0.709394 F\n0.072067 0.749184 0.290606 F\n0.243397 0.394918 0.709476 F\n0.761003 0.904453 0.282422 F\n0.756603 0.605082 0.290524 F\n0.238997 0.095547 0.717578 F\n0.089829 0.408441 0.899110 F\n0.916069 0.889685 0.091891 F\n0.910171 0.591559 0.100890 F\n0.083931 0.110315 0.908109 F\n0.398847 0.252311 0.912875 F\n0.601153 0.747689 0.087125 F\n","nsites":62,"nelements":6,"elements":["Co","Si","H","N","O","F"],"chemical_system":"Co-F-H-N-O-Si","density":1.9494463052955284,"density_atomic":0.10956380589618948,"volume":565.8803059355598,"volume_molar":5.49646912202549,"formula_full":"Co2 Si2 H30 N12 O4 F12","formula_reduced":"CoSiH15N6(OF3)2","formula_anonymous":"ABC2D6E6F15","energy":-346.51803778,"energy_per_atom":-5.589000609354838,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.61803778,"band_gap":2.7165,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023036,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.580000Z","spacegroup":2},{"id":"mp-24122","created_at":"2022-09-04T14:46:57.380464Z","structure_string":"Co1 Si1 H12 O6 F6\n1.0\n4.261825 -4.774789 0.000000\n4.261825 4.774789 0.000000\n-1.087671 0.000000 6.307039\nCo Si H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Si\n0.203958 0.312887 0.815332 H\n0.815332 0.203958 0.312887 H\n0.312887 0.815332 0.203958 H\n0.796042 0.687113 0.184668 H\n0.184668 0.796042 0.687113 H\n0.687113 0.184668 0.796042 H\n0.202737 0.402020 0.058201 H\n0.058201 0.202737 0.402020 H\n0.402020 0.058201 0.202737 H\n0.941799 0.797263 0.597980 H\n0.597980 0.941799 0.797263 H\n0.797263 0.597980 0.941799 H\n0.939620 0.128192 0.300186 O\n0.300186 0.939620 0.128192 O\n0.871808 0.699814 0.060380 O\n0.060380 0.871808 0.699814 O\n0.699814 0.060380 0.871808 O\n0.128192 0.300186 0.939620 O\n0.702475 0.670380 0.433206 F\n0.433206 0.702475 0.670380 F\n0.670380 0.433206 0.702475 F\n0.297525 0.329620 0.566794 F\n0.329620 0.566794 0.297525 F\n0.566794 0.297525 0.329620 F\n","nsites":26,"nelements":5,"elements":["Co","Si","H","O","F"],"chemical_system":"Co-F-H-O-Si","density":1.999603595162774,"density_atomic":0.10129034222949798,"volume":256.68784829545405,"volume_molar":5.945424437756731,"formula_full":"Co1 Si1 H12 O6 F6","formula_reduced":"CoSiH12(OF)6","formula_anonymous":"ABC6D6E12","energy":-141.47263603000002,"energy_per_atom":-5.441255231923078,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.94063603,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9991227,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.223000Z","spacegroup":148},{"id":"mp-562985","created_at":"2022-09-04T14:39:28.830280Z","structure_string":"Co4 Si4 C16 Cl12 O16\n1.0\n11.342320 0.000000 0.000000\n0.000000 8.889417 0.000000\n0.000000 1.985520 11.974793\nCo Si C Cl O\n4 4 16 12 16\ndirect\n0.966972 0.775705 0.778071 Co\n0.533028 0.775705 0.278071 Co\n0.033028 0.224295 0.221929 Co\n0.466972 0.224295 0.721929 Co\n0.847474 0.698904 0.646143 Si\n0.347474 0.301096 0.853857 Si\n0.652526 0.698904 0.146143 Si\n0.152526 0.301096 0.353857 Si\n0.908625 0.614286 0.866588 C\n0.091375 0.385714 0.133412 C\n0.591375 0.614286 0.366588 C\n0.612428 0.949346 0.248075 C\n0.414918 0.744432 0.187696 C\n0.085082 0.744432 0.687696 C\n0.945441 0.164652 0.114759 C\n0.585082 0.255568 0.812304 C\n0.914918 0.255568 0.312304 C\n0.554559 0.164652 0.614759 C\n0.887572 0.949346 0.748075 C\n0.112428 0.050654 0.251925 C\n0.408625 0.385714 0.633412 C\n0.054559 0.835348 0.885241 C\n0.445441 0.835348 0.385241 C\n0.387572 0.050654 0.751925 C\n0.378785 0.522552 0.876014 Cl\n0.829891 0.708542 0.185201 Cl\n0.634100 0.831638 0.990474 Cl\n0.670109 0.708542 0.685201 Cl\n0.878785 0.477448 0.623986 Cl\n0.329891 0.291458 0.314799 Cl\n0.134100 0.168362 0.509526 Cl\n0.121215 0.522552 0.376014 Cl\n0.621215 0.477448 0.123986 Cl\n0.170109 0.291458 0.814799 Cl\n0.365900 0.168362 0.009526 Cl\n0.865900 0.831638 0.490474 Cl\n0.625612 0.509259 0.427084 O\n0.663266 0.274510 0.869440 O\n0.125612 0.490741 0.072916 O\n0.891402 0.125419 0.044200 O\n0.836734 0.274510 0.369440 O\n0.608598 0.125419 0.544200 O\n0.162053 0.935455 0.269199 O\n0.336734 0.725490 0.130560 O\n0.108598 0.874581 0.955800 O\n0.374388 0.490741 0.572916 O\n0.163266 0.725490 0.630560 O\n0.662053 0.064545 0.230801 O\n0.391402 0.874581 0.455800 O\n0.874388 0.509259 0.927084 O\n0.337947 0.935455 0.769199 O\n0.837947 0.064545 0.730801 O\n","nsites":52,"nelements":5,"elements":["Co","Si","C","Cl","O"],"chemical_system":"C-Cl-Co-O-Si","density":1.6801987714576003,"density_atomic":0.043068540398667185,"volume":1207.377810314863,"volume_molar":13.982690623493625,"formula_full":"Co4 Si4 C16 Cl12 O16","formula_reduced":"CoSiC4Cl3O4","formula_anonymous":"ABC3D4E4","energy":-355.61352302,"energy_per_atom":-6.838721596538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.70152302,"band_gap":3.6211,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.02e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.431000Z","spacegroup":14},{"id":"mp-1246538","created_at":"2022-09-04T14:39:09.161551Z","structure_string":"Co2 Si14 N20\n1.0\n6.664457 0.000000 0.060135\n0.000000 6.921650 0.000000\n-2.486074 0.000000 9.381540\nCo Si N\n2 14 20\ndirect\n0.011301 0.898345 0.707613 Co\n0.011301 0.101655 0.207613 Co\n0.540487 0.982269 0.820379 Si\n0.540487 0.017731 0.320379 Si\n0.346054 0.020871 0.018407 Si\n0.346054 0.979129 0.518407 Si\n0.109805 0.402594 0.074869 Si\n0.109805 0.597406 0.574869 Si\n0.658240 0.361214 0.988954 Si\n0.658240 0.638786 0.488954 Si\n0.844337 0.617759 0.808438 Si\n0.844337 0.382241 0.308438 Si\n0.297152 0.618472 0.881074 Si\n0.297152 0.381528 0.381074 Si\n0.486152 0.366632 0.684500 Si\n0.486152 0.633368 0.184500 Si\n0.749445 0.847773 0.809894 N\n0.749445 0.152227 0.309894 N\n0.546879 0.137245 0.964425 N\n0.546879 0.862755 0.464425 N\n0.308585 0.869952 0.862407 N\n0.308585 0.130048 0.362407 N\n0.152975 0.159947 0.049941 N\n0.152975 0.840053 0.549941 N\n0.289959 0.505065 0.722291 N\n0.289959 0.494935 0.222291 N\n0.446495 0.120448 0.667647 N\n0.446495 0.879552 0.167647 N\n0.879514 0.382500 0.130402 N\n0.879514 0.617500 0.630402 N\n0.075298 0.568050 0.935238 N\n0.075298 0.431950 0.435238 N\n0.700264 0.414188 0.822921 N\n0.700264 0.585812 0.322921 N\n0.499358 0.543856 0.019899 N\n0.499358 0.456144 0.519899 N\n","nsites":36,"nelements":3,"elements":["Co","Si","N"],"chemical_system":"Co-N-Si","density":3.0286437412653218,"density_atomic":0.08298827697238077,"volume":433.79620969816153,"volume_molar":7.256616210991128,"formula_full":"Co2 Si14 N20","formula_reduced":"CoSi7N10","formula_anonymous":"AB7C10","energy":-292.03880668000005,"energy_per_atom":-8.112189074444446,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-284.81880668,"band_gap":0.2942,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001856,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.248000Z","spacegroup":7},{"id":"mp-1226011","created_at":"2022-09-04T14:39:16.123747Z","structure_string":"Co1 Si4 Ni3\n1.0\n3.232043 0.000000 0.000000\n0.000000 5.217379 0.000000\n0.000000 0.018034 5.686174\nCo Si Ni\n1 4 3\ndirect\n0.000000 0.507328 0.690874 Co\n0.000000 0.677228 0.073565 Si\n0.000000 0.184526 0.424709 Si\n0.500000 0.324329 0.919080 Si\n0.500000 0.812227 0.580840 Si\n0.000000 0.007972 0.811429 Ni\n0.500000 0.492649 0.309954 Ni\n0.500000 0.993740 0.189550 Ni\n","nsites":8,"nelements":3,"elements":["Co","Si","Ni"],"chemical_system":"Co-Ni-Si","density":6.0155242918319,"density_atomic":0.08343347376108569,"volume":95.88477668936865,"volume_molar":7.21789527455681,"formula_full":"Co1 Si4 Ni3","formula_reduced":"CoSi4Ni3","formula_anonymous":"AB3C4","energy":-50.05271034,"energy_per_atom":-6.2565887925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.33671034,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0073345,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.102000Z","spacegroup":6}]}