{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=19","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=17","results":[{"id":"mp-28072","created_at":"2022-09-04T14:42:56.985693Z","structure_string":"La4 Be4 O10\n1.0\n3.691370 3.797420 0.000000\n-3.691370 3.797420 0.000000\n0.000000 0.139540 7.456614\nLa Be O\n4 4 10\ndirect\n0.799815 0.728149 0.694036 La\n0.271851 0.200185 0.805964 La\n0.200185 0.271851 0.305964 La\n0.728149 0.799815 0.194036 La\n0.687616 0.252020 0.469870 Be\n0.747980 0.312384 0.030130 Be\n0.252020 0.687616 0.969870 Be\n0.312384 0.747980 0.530130 Be\n0.752961 0.247039 0.250000 O\n0.247039 0.752961 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.743834 0.056263 0.915997 O\n0.943737 0.256166 0.584003 O\n0.256166 0.943737 0.084003 O\n0.056263 0.743834 0.415997 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":18,"nelements":3,"elements":["La","Be","O"],"chemical_system":"Be-La-O","density":5.97070109618988,"density_atomic":0.08610425942686069,"volume":209.04889165546672,"volume_molar":6.994010284840056,"formula_full":"La4 Be4 O10","formula_reduced":"La2Be2O5","formula_anonymous":"A2B2C5","energy":-147.03490717,"energy_per_atom":-8.168605953888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.16490717,"band_gap":3.9238,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001082,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.391000Z","spacegroup":15},{"id":"mp-1103502","created_at":"2022-09-04T14:42:56.989699Z","structure_string":"Ca1 B2 H10 N2\n1.0\n2.236262 4.529960 0.000000\n-2.236262 4.529960 0.000000\n0.000000 0.380088 6.342298\nCa B H N\n1 2 10 2\ndirect\n0.435882 0.564118 0.000000 Ca\n0.801425 0.864408 0.210127 B\n0.135592 0.198575 0.789873 B\n0.575499 0.700875 0.417728 H\n0.299125 0.424501 0.582272 H\n0.609593 0.080092 0.687968 H\n0.919908 0.390407 0.312032 H\n0.048805 0.805806 0.295152 H\n0.194194 0.951195 0.704848 H\n0.849056 0.433588 0.744194 H\n0.566412 0.150944 0.255806 H\n0.849691 0.861147 0.015205 H\n0.138853 0.150309 0.984795 H\n0.713479 0.627645 0.279554 N\n0.372355 0.286521 0.720446 N\n","nsites":15,"nelements":4,"elements":["Ca","B","H","N"],"chemical_system":"B-Ca-H-N","density":1.2895987838218737,"density_atomic":0.11673405400165063,"volume":128.49720784808775,"volume_molar":5.158855152854408,"formula_full":"Ca1 B2 H10 N2","formula_reduced":"CaB2(H5N)2","formula_anonymous":"AB2C2D10","energy":-73.11156154,"energy_per_atom":-4.874104102666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.38956154,"band_gap":3.7871,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000597,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.997000Z","spacegroup":5},{"id":"mp-755609","created_at":"2022-09-04T14:42:57.023056Z","structure_string":"Y2 Se1 O2\n1.0\n-1.926172 1.926172 6.092477\n1.926172 -1.926172 6.092477\n1.926172 1.926172 -6.092477\nY Se O\n2 1 2\ndirect\n0.343196 0.343196 0.000000 Y\n0.656804 0.656804 0.000000 Y\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Y","Se","O"],"chemical_system":"O-Se-Y","density":5.303442954813915,"density_atomic":0.05530010855949071,"volume":90.4157357054933,"volume_molar":10.889925746748771,"formula_full":"Y2 Se1 O2","formula_reduced":"Y2SeO2","formula_anonymous":"AB2C2","energy":-43.349379690000006,"energy_per_atom":-8.669875938,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.50337969,"band_gap":2.0962,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.78e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.290000Z","spacegroup":139},{"id":"mp-1188073","created_at":"2022-09-04T14:42:57.027517Z","structure_string":"Zr6 Ni2\n1.0\n3.032209 -5.251941 0.000000\n3.032209 5.251941 0.000000\n0.000000 0.000000 4.896295\nZr Ni\n6 2\ndirect\n0.825653 0.651305 0.750000 Zr\n0.174347 0.825653 0.250000 Zr\n0.651305 0.825653 0.250000 Zr\n0.174347 0.348695 0.250000 Zr\n0.825653 0.174347 0.750000 Zr\n0.348695 0.174347 0.750000 Zr\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n","nsites":8,"nelements":2,"elements":["Zr","Ni"],"chemical_system":"Ni-Zr","density":7.07812709883652,"density_atomic":0.051299536860448657,"volume":155.94682700084778,"volume_molar":11.739171790930925,"formula_full":"Zr6 Ni2","formula_reduced":"Zr3Ni","formula_anonymous":"AB3","energy":-62.64172784,"energy_per_atom":-7.83021598,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.64172784,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016525,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.573000Z","spacegroup":194},{"id":"mp-1233177","created_at":"2022-09-04T14:42:57.031721Z","structure_string":"Ca1 Mn4 Ag4 O16\n1.0\n5.542784 -0.267243 0.489733\n-0.561302 8.276991 0.138023\n0.778567 0.218105 9.158749\nCa Mn Ag O\n1 4 4 16\ndirect\n0.085660 0.152993 0.902266 Ca\n0.814610 0.139474 0.323962 Mn\n0.236773 0.627595 0.213909 Mn\n0.697011 0.376454 0.765927 Mn\n0.206897 0.847352 0.685766 Mn\n0.470097 0.246758 0.109557 Ag\n0.699435 0.691539 0.490058 Ag\n0.276297 0.312649 0.517419 Ag\n0.652123 0.775445 0.923906 Ag\n0.949788 0.118235 0.148605 O\n0.532322 0.202232 0.329360 O\n0.260118 0.017152 0.589417 O\n0.247338 0.473072 0.109483 O\n0.728234 0.524495 0.880675 O\n0.468178 0.784646 0.708832 O\n0.781660 0.968125 0.421560 O\n0.050170 0.710177 0.607979 O\n0.491965 0.218488 0.871614 O\n0.043106 0.881212 0.850835 O\n0.371975 0.792695 0.115365 O\n0.968480 0.294377 0.720336 O\n0.953149 0.651503 0.275710 O\n0.570594 0.432172 0.616842 O\n0.980787 0.286040 0.390797 O\n0.379902 0.595490 0.351697 O\n","nsites":25,"nelements":4,"elements":["Ca","Mn","Ag","O"],"chemical_system":"Ag-Ca-Mn-O","density":3.7867918143918575,"density_atomic":0.06018355512777979,"volume":415.39586597901706,"volume_molar":10.006289504190942,"formula_full":"Ca1 Mn4 Ag4 O16","formula_reduced":"CaMn4(AgO4)4","formula_anonymous":"AB4C4D16","energy":-156.38239671000002,"energy_per_atom":-6.255295868400001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.71839671,"band_gap":0.214,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0027333,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.771000Z","spacegroup":1},{"id":"mp-505155","created_at":"2022-09-04T14:42:57.036695Z","structure_string":"U2 Cr10 P6\n1.0\n3.729747 0.000000 0.000000\n0.000000 6.780480 0.000000\n0.000000 1.388230 9.396240\nU Cr P\n2 10 6\ndirect\n0.250000 0.180000 0.217135 U\n0.750000 0.820000 0.782865 U\n0.250000 0.678362 0.278052 Cr\n0.750000 0.321638 0.721948 Cr\n0.250000 0.842027 0.508410 Cr\n0.750000 0.157973 0.491590 Cr\n0.250000 0.458895 0.928677 Cr\n0.750000 0.541105 0.071323 Cr\n0.250000 0.084791 0.898985 Cr\n0.750000 0.915209 0.101015 Cr\n0.250000 0.394879 0.487558 Cr\n0.750000 0.605121 0.512442 Cr\n0.250000 0.558658 0.686042 P\n0.750000 0.441342 0.313958 P\n0.250000 0.761980 0.019640 P\n0.750000 0.238020 0.980360 P\n0.250000 0.101433 0.652866 P\n0.750000 0.898567 0.347134 P\n","nsites":18,"nelements":3,"elements":["U","Cr","P"],"chemical_system":"Cr-P-U","density":8.258890908246293,"density_atomic":0.07574929434587718,"volume":237.62597599669505,"volume_molar":7.950094864913772,"formula_full":"U2 Cr10 P6","formula_reduced":"UCr5P3","formula_anonymous":"AB3C5","energy":-161.05581372,"energy_per_atom":-8.947545206666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.05581372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7400475,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.580000Z","spacegroup":11},{"id":"mp-1183037","created_at":"2022-09-04T14:42:57.091389Z","structure_string":"Zr1 Zn1 Au2\n1.0\n0.000000 3.322830 3.322830\n3.322830 0.000000 3.322830\n3.322830 3.322830 0.000000\nZr Zn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Zn","Au"],"chemical_system":"Au-Zn-Zr","density":12.459603739273144,"density_atomic":0.05451369590598046,"volume":73.37605593461839,"volume_molar":11.047023431297635,"formula_full":"Zr1 Zn1 Au2","formula_reduced":"ZrZnAu2","formula_anonymous":"ABC2","energy":-18.23524679,"energy_per_atom":-4.5588116975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.23524679,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.56e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.084000Z","spacegroup":225},{"id":"mp-722502","created_at":"2022-09-04T14:42:57.098610Z","structure_string":"Li6 P22 H102 N34\n1.0\n11.990241 0.000000 0.000000\n-2.109305 -12.406078 0.000000\n-2.158750 0.358623 -12.405838\nLi P H N\n6 22 102 34\ndirect\n0.746067 0.978124 0.239503 Li\n0.253933 0.021876 0.760497 Li\n0.873748 0.391941 0.284015 Li\n0.126252 0.608059 0.715985 Li\n0.781551 0.746852 0.915004 Li\n0.218449 0.253148 0.084996 Li\n0.738021 0.236108 0.577703 P\n0.261979 0.763892 0.422297 P\n0.593244 0.311437 0.780441 P\n0.406756 0.688563 0.219559 P\n0.705702 0.068804 0.802478 P\n0.294298 0.931196 0.197522 P\n0.755350 0.419705 0.760050 P\n0.244650 0.580295 0.239950 P\n0.898958 0.214674 0.688789 P\n0.101042 0.785326 0.311211 P\n0.783139 0.195395 0.929522 P\n0.216861 0.804605 0.070478 P\n0.885427 0.315693 0.832954 P\n0.114573 0.684307 0.167046 P\n0.856408 0.047921 0.734746 P\n0.143592 0.952079 0.265254 P\n0.747696 0.409698 0.587064 P\n0.252304 0.590302 0.412936 P\n0.606203 0.166305 0.680032 P\n0.393797 0.833695 0.319968 P\n0.633637 0.266295 0.947450 P\n0.366363 0.733705 0.052550 P\n0.890939 0.938019 0.926946 H\n0.109061 0.061981 0.073054 H\n0.963474 0.878003 0.025996 H\n0.036526 0.121997 0.974004 H\n0.850229 0.926439 0.044221 H\n0.149771 0.073561 0.955779 H\n0.999412 0.463020 0.136991 H\n0.000588 0.536980 0.863009 H\n0.981993 0.330950 0.130084 H\n0.018007 0.669050 0.869916 H\n0.875607 0.391853 0.079494 H\n0.124393 0.608147 0.920506 H\n0.868022 0.134548 0.152113 H\n0.131978 0.865452 0.847887 H\n0.911149 0.139905 0.284788 H\n0.088851 0.860095 0.715212 H\n0.957992 0.056442 0.209908 H\n0.042008 0.943558 0.790092 H\n0.737392 0.788438 0.156303 H\n0.262608 0.211562 0.843697 H\n0.860876 0.806812 0.239866 H\n0.139124 0.193188 0.760134 H\n0.739533 0.776620 0.284673 H\n0.260467 0.223380 0.715327 H\n0.949183 0.382490 0.484138 H\n0.050817 0.617510 0.515862 H\n0.014617 0.297225 0.429558 H\n0.985383 0.702775 0.570442 H\n0.055045 0.429581 0.419100 H\n0.944955 0.570419 0.580900 H\n0.545360 0.925567 0.111827 H\n0.454640 0.074433 0.888173 H\n0.573058 0.057151 0.124623 H\n0.426942 0.942849 0.875377 H\n0.637339 0.997543 0.045385 H\n0.362661 0.002457 0.954615 H\n0.873745 0.756235 0.724807 H\n0.126255 0.243765 0.275193 H\n0.774758 0.650757 0.732204 H\n0.225242 0.349243 0.267796 H\n0.739552 0.771319 0.711739 H\n0.260448 0.228681 0.288261 H\n0.750720 0.601355 0.056032 H\n0.249280 0.398645 0.943968 H\n0.888394 0.620657 0.049862 H\n0.111606 0.379343 0.950138 H\n0.794076 0.545352 0.956928 H\n0.205924 0.454648 0.043072 H\n0.904680 0.603899 0.305126 H\n0.095320 0.396101 0.694874 H\n0.806992 0.552557 0.376848 H\n0.193008 0.447443 0.623152 H\n0.771812 0.549987 0.244504 H\n0.228188 0.450013 0.755496 H\n0.710652 0.219735 0.314212 H\n0.289348 0.780265 0.685788 H\n0.661753 0.332064 0.284065 H\n0.338247 0.667936 0.715935 H\n0.689719 0.258121 0.187038 H\n0.310281 0.741879 0.812962 H\n0.610686 0.985313 0.383706 H\n0.389314 0.014687 0.616294 H\n0.732978 0.064220 0.432867 H\n0.267022 0.935780 0.567133 H\n0.724089 0.933399 0.430336 H\n0.275911 0.066601 0.569664 H\n0.556162 0.759159 0.945449 H\n0.443838 0.240841 0.054551 H\n0.618239 0.850717 0.870567 H\n0.381761 0.149283 0.129433 H\n0.567479 0.727067 0.822385 H\n0.432521 0.272933 0.177615 H\n0.468445 0.336856 0.358829 H\n0.531555 0.663144 0.641171 H\n0.570161 0.434437 0.413141 H\n0.429839 0.565563 0.586859 H\n0.454817 0.463594 0.337100 H\n0.545183 0.536406 0.662900 H\n0.617959 0.675453 0.374430 H\n0.382041 0.324547 0.625570 H\n0.636302 0.711125 0.502069 H\n0.363698 0.288875 0.497931 H\n0.744088 0.735112 0.436933 H\n0.255912 0.264888 0.563067 H\n0.519841 0.857501 0.662103 H\n0.480159 0.142499 0.337897 H\n0.633068 0.915324 0.615592 H\n0.366932 0.084676 0.384408 H\n0.522338 0.847349 0.533071 H\n0.477662 0.152651 0.466929 H\n0.914509 0.918166 0.583135 H\n0.085491 0.081834 0.416865 H\n0.859102 0.810291 0.507791 H\n0.140898 0.189709 0.492209 H\n0.972698 0.887168 0.477983 H\n0.027302 0.112832 0.522017 H\n0.580718 0.463049 0.205400 H\n0.419282 0.536951 0.794600 H\n0.563458 0.579361 0.155058 H\n0.436542 0.420639 0.844942 H\n0.583862 0.483602 0.075432 H\n0.416138 0.516398 0.924568 H\n0.882241 0.885759 0.988978 N\n0.117759 0.114241 0.011022 N\n0.941898 0.394194 0.143269 N\n0.058102 0.605806 0.856731 N\n0.886701 0.089085 0.218108 N\n0.113299 0.910915 0.781892 N\n0.778400 0.822037 0.229673 N\n0.221600 0.177963 0.770327 N\n0.985478 0.369198 0.418352 N\n0.014522 0.630802 0.581648 N\n0.611008 0.990875 0.118695 N\n0.388992 0.009125 0.881305 N\n0.799485 0.730998 0.754164 N\n0.200515 0.269002 0.245836 N\n0.808096 0.614773 0.003796 N\n0.191904 0.385227 0.996204 N\n0.837437 0.542310 0.306974 N\n0.162563 0.457690 0.693026 N\n0.717849 0.284590 0.265517 N\n0.282151 0.715410 0.734483 N\n0.698235 0.995901 0.386222 N\n0.301765 0.004099 0.613778 N\n0.610334 0.770800 0.890138 N\n0.389666 0.229200 0.109862 N\n0.512267 0.410931 0.343649 N\n0.487733 0.589069 0.656351 N\n0.673747 0.679147 0.445565 N\n0.326253 0.320853 0.554435 N\n0.571885 0.846685 0.607984 N\n0.428115 0.153315 0.392016 N\n0.935433 0.856505 0.540860 N\n0.064567 0.143495 0.459140 N\n0.609508 0.518077 0.151115 N\n0.390492 0.481923 0.848885 N\n","nsites":164,"nelements":4,"elements":["Li","P","H","N"],"chemical_system":"H-Li-N-P","density":1.1716747214622172,"density_atomic":0.08887002915430599,"volume":1845.3915404398601,"volume_molar":6.776346106001262,"formula_full":"Li6 P22 H102 N34","formula_reduced":"Li3P11(H3N)17","formula_anonymous":"A3B11C17D51","energy":-827.93645424,"energy_per_atom":-5.048393013658536,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-815.66245424,"band_gap":1.9668,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.585000Z","spacegroup":2},{"id":"mp-559420","created_at":"2022-09-04T14:43:19.343483Z","structure_string":"Sb16 Pt4 C16 O16 F88\n1.0\n10.013095 0.000000 0.000000\n0.000000 13.051790 0.000000\n0.000000 4.275289 17.782371\nSb Pt C O F\n16 4 16 16 88\ndirect\n0.254060 0.947194 0.331183 Sb\n0.258707 0.068051 0.515097 Sb\n0.754060 0.052806 0.168817 Sb\n0.745355 0.621610 0.867435 Sb\n0.758707 0.931949 0.984903 Sb\n0.740792 0.510638 0.176436 Sb\n0.759208 0.510638 0.676436 Sb\n0.741293 0.931949 0.484903 Sb\n0.254645 0.378390 0.132565 Sb\n0.241293 0.068051 0.015097 Sb\n0.245355 0.378390 0.632565 Sb\n0.245940 0.947194 0.831183 Sb\n0.240792 0.489362 0.323564 Sb\n0.745940 0.052806 0.668817 Sb\n0.259208 0.489362 0.823564 Sb\n0.754645 0.621610 0.367435 Sb\n0.741405 0.271628 0.410310 Pt\n0.241405 0.728372 0.089690 Pt\n0.758595 0.271628 0.910310 Pt\n0.258595 0.728372 0.589690 Pt\n0.408387 0.764782 0.650048 C\n0.388021 0.679893 0.522979 C\n0.622462 0.224809 0.846124 C\n0.386401 0.695679 0.025085 C\n0.122462 0.775191 0.653876 C\n0.611979 0.320107 0.477021 C\n0.113599 0.695679 0.525085 C\n0.877538 0.224809 0.346124 C\n0.591613 0.235218 0.349952 C\n0.888021 0.320107 0.977021 C\n0.377538 0.775191 0.153876 C\n0.091613 0.764782 0.150048 C\n0.908387 0.235218 0.849952 C\n0.886401 0.304321 0.474915 C\n0.613599 0.304321 0.974915 C\n0.111979 0.679893 0.022979 C\n0.033643 0.679347 0.485548 O\n0.996675 0.213282 0.818073 O\n0.040928 0.802164 0.687980 O\n0.533643 0.320653 0.014452 O\n0.466357 0.679347 0.985548 O\n0.543137 0.347974 0.517509 O\n0.956863 0.347974 0.017509 O\n0.503325 0.213282 0.318073 O\n0.043137 0.652026 0.982491 O\n0.459072 0.802164 0.187980 O\n0.496675 0.786718 0.681927 O\n0.456863 0.652026 0.482491 O\n0.003325 0.786718 0.181927 O\n0.966357 0.320653 0.514452 O\n0.959072 0.197836 0.312020 O\n0.540928 0.197836 0.812020 O\n0.879321 0.513509 0.889497 F\n0.366742 0.953809 0.034641 F\n0.620679 0.513509 0.389497 F\n0.397331 0.285127 0.167697 F\n0.732927 0.181159 0.591204 F\n0.377775 0.396763 0.371463 F\n0.441181 0.941638 0.317901 F\n0.122225 0.396763 0.871463 F\n0.897331 0.714873 0.332303 F\n0.102669 0.285127 0.667697 F\n0.251367 0.353185 0.534777 F\n0.120679 0.486491 0.110503 F\n0.748633 0.646815 0.465223 F\n0.558819 0.058362 0.682099 F\n0.261886 0.409604 0.239069 F\n0.926858 0.044911 0.640382 F\n0.738114 0.590396 0.760931 F\n0.282601 0.873978 0.754462 F\n0.073142 0.955089 0.359618 F\n0.888651 0.034087 0.938391 F\n0.109687 0.573775 0.261346 F\n0.609687 0.426225 0.238654 F\n0.279267 0.111286 0.104092 F\n0.379321 0.486491 0.610503 F\n0.388651 0.965913 0.561609 F\n0.622225 0.603237 0.628537 F\n0.879028 0.720626 0.826726 F\n0.720733 0.888714 0.895908 F\n0.803029 0.978991 0.082211 F\n0.779267 0.888714 0.395908 F\n0.380573 0.491708 0.103676 F\n0.397511 0.168271 0.482373 F\n0.369457 0.158693 0.956118 F\n0.877775 0.603237 0.128537 F\n0.130543 0.158693 0.456118 F\n0.111349 0.965913 0.061609 F\n0.245738 0.085026 0.269804 F\n0.238114 0.409604 0.739069 F\n0.129250 0.585168 0.769935 F\n0.274446 0.560341 0.902752 F\n0.696971 0.978991 0.582211 F\n0.761886 0.590396 0.260931 F\n0.196971 0.021009 0.917789 F\n0.120972 0.279374 0.173274 F\n0.725554 0.439659 0.097248 F\n0.602489 0.831729 0.517627 F\n0.745738 0.914974 0.230196 F\n0.058819 0.941638 0.817901 F\n0.426858 0.955089 0.859618 F\n0.866742 0.046191 0.465359 F\n0.119427 0.491708 0.603676 F\n0.891055 0.613875 0.637719 F\n0.869457 0.841307 0.543882 F\n0.941181 0.058362 0.182099 F\n0.108945 0.386125 0.362281 F\n0.248633 0.353185 0.034777 F\n0.611349 0.034087 0.438391 F\n0.102489 0.168271 0.982373 F\n0.774446 0.439659 0.597248 F\n0.391055 0.386125 0.862281 F\n0.303029 0.021009 0.417789 F\n0.870750 0.414832 0.230065 F\n0.220733 0.111286 0.604092 F\n0.608945 0.613875 0.137719 F\n0.717399 0.126022 0.245538 F\n0.619427 0.508292 0.896324 F\n0.751367 0.646815 0.965223 F\n0.390313 0.573775 0.761346 F\n0.890313 0.426225 0.738654 F\n0.767073 0.181159 0.091204 F\n0.629250 0.414832 0.730065 F\n0.633258 0.046191 0.965359 F\n0.254262 0.085026 0.769805 F\n0.133258 0.953809 0.534641 F\n0.573142 0.044911 0.140382 F\n0.232927 0.818841 0.908796 F\n0.630543 0.841307 0.043882 F\n0.620972 0.720626 0.326726 F\n0.379028 0.279374 0.673274 F\n0.267073 0.818841 0.408796 F\n0.217399 0.873978 0.254462 F\n0.880573 0.508292 0.396324 F\n0.782601 0.126022 0.745538 F\n0.754262 0.914974 0.730195 F\n0.225554 0.560341 0.402752 F\n0.370750 0.585168 0.269935 F\n0.897511 0.831729 0.017627 F\n0.602669 0.714873 0.832303 F\n","nsites":140,"nelements":5,"elements":["Sb","Pt","C","O","F"],"chemical_system":"C-F-O-Pt-Sb","density":3.4644152889997883,"density_atomic":0.060242079482349734,"volume":2323.956961695163,"volume_molar":9.996568531078715,"formula_full":"Sb16 Pt4 C16 O16 F88","formula_reduced":"Sb4PtC4(O2F11)2","formula_anonymous":"AB4C4D4E22","energy":-793.31339669,"energy_per_atom":-5.6665242620714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-741.66539669,"band_gap":3.2754,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.266000Z","spacegroup":14},{"id":"mp-1180575","created_at":"2022-09-04T14:42:56.919376Z","structure_string":"Mg2 I2 O24\n1.0\n10.279679 0.000000 0.000000\n0.000000 6.718061 0.000000\n0.000000 3.273979 7.456682\nMg I O\n2 2 24\ndirect\n0.566904 0.562104 0.320323 Mg\n0.433096 0.562104 0.820323 Mg\n0.714066 0.530514 0.746080 I\n0.285934 0.530514 0.246080 I\n0.856640 0.709468 0.631354 O\n0.143360 0.709468 0.131354 O\n0.852521 0.327705 0.781746 O\n0.147479 0.327705 0.281746 O\n0.583083 0.327186 0.865222 O\n0.416917 0.327186 0.365222 O\n0.593233 0.757380 0.696253 O\n0.406767 0.757380 0.196253 O\n0.681244 0.489677 0.534404 O\n0.318756 0.489677 0.034404 O\n0.772698 0.536658 0.963192 O\n0.227302 0.536658 0.463192 O\n0.873817 0.501174 0.317276 O\n0.126183 0.501174 0.817276 O\n0.861282 0.703369 0.227957 O\n0.138718 0.703369 0.727957 O\n0.550492 0.556468 0.057927 O\n0.449508 0.556468 0.557927 O\n0.609430 0.039208 0.300818 O\n0.390570 0.039208 0.800818 O\n0.675862 0.151228 0.355474 O\n0.324138 0.151228 0.855474 O\n0.741987 0.779765 0.186073 O\n0.258013 0.779765 0.686073 O\n","nsites":28,"nelements":3,"elements":["Mg","I","O"],"chemical_system":"I-Mg-O","density":2.2134011240583242,"density_atomic":0.054373703253299974,"volume":514.9548094887332,"volume_molar":11.075465527786196,"formula_full":"Mg2 I2 O24","formula_reduced":"MgIO12","formula_anonymous":"ABC12","energy":-122.15740297,"energy_per_atom":-4.362764391785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.15740297,"band_gap":0.3699000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.99083,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.407000Z","spacegroup":7},{"id":"mp-768083","created_at":"2022-09-04T14:42:56.930175Z","structure_string":"Li5 La3 Nb14 O42\n1.0\n2.815502 8.494933 0.000000\n-2.815502 8.494933 0.000000\n0.000000 1.966139 18.587476\nLi La Nb O\n5 3 14 42\ndirect\n0.571710 0.571710 0.857318 Li\n0.428290 0.428290 0.142682 Li\n0.500000 0.500000 0.500000 Li\n0.286663 0.286663 0.427778 Li\n0.713337 0.713337 0.572222 Li\n0.143089 0.143089 0.713581 La\n0.000000 0.000000 0.000000 La\n0.856911 0.856911 0.286419 La\n0.610566 0.610566 0.036315 Nb\n0.753994 0.753994 0.751071 Nb\n0.389434 0.389434 0.963685 Nb\n0.182029 0.182029 0.893536 Nb\n0.961396 0.961396 0.820966 Nb\n0.246006 0.246006 0.248929 Nb\n0.038604 0.038604 0.179034 Nb\n0.467210 0.467210 0.321671 Nb\n0.817971 0.817971 0.106464 Nb\n0.892288 0.892288 0.467002 Nb\n0.107712 0.107712 0.532998 Nb\n0.676798 0.676798 0.392720 Nb\n0.532790 0.532790 0.678329 Nb\n0.323202 0.323202 0.607280 Nb\n0.642638 0.642638 0.714061 O\n0.254065 0.766841 0.751782 O\n0.376074 0.888430 0.962751 O\n0.182014 0.693162 0.897952 O\n0.766841 0.254065 0.751782 O\n0.142963 0.142963 0.214103 O\n0.071310 0.071310 0.857455 O\n0.857037 0.857037 0.785897 O\n0.500000 0.500000 0.000000 O\n0.285756 0.285756 0.928499 O\n0.693162 0.182014 0.897952 O\n0.449366 0.960733 0.816454 O\n0.306838 0.817986 0.102048 O\n0.888430 0.376074 0.962751 O\n0.623926 0.111570 0.037249 O\n0.233159 0.745935 0.248218 O\n0.960733 0.449366 0.816454 O\n0.817986 0.306838 0.102048 O\n0.745935 0.233159 0.248218 O\n0.569269 0.569269 0.362778 O\n0.357362 0.357362 0.285939 O\n0.550634 0.039267 0.183546 O\n0.169284 0.673595 0.389199 O\n0.928690 0.928690 0.142545 O\n0.714244 0.714244 0.071501 O\n0.111570 0.623926 0.037249 O\n0.326405 0.830716 0.610801 O\n0.673595 0.169284 0.389199 O\n0.039267 0.550634 0.183546 O\n0.480407 0.969377 0.322483 O\n0.969377 0.480407 0.322483 O\n0.211933 0.211933 0.576019 O\n0.596255 0.105873 0.532328 O\n0.403745 0.894127 0.467672 O\n0.000000 0.000000 0.500000 O\n0.788067 0.788067 0.423981 O\n0.430731 0.430731 0.637222 O\n0.830716 0.326405 0.610801 O\n0.105873 0.596255 0.532328 O\n0.894127 0.403745 0.467672 O\n0.519593 0.030623 0.677517 O\n0.030623 0.519593 0.677517 O\n","nsites":64,"nelements":4,"elements":["Li","La","Nb","O"],"chemical_system":"La-Li-Nb-O","density":4.527211895779843,"density_atomic":0.07198031774703421,"volume":889.1319461094901,"volume_molar":8.36637145888138,"formula_full":"Li5 La3 Nb14 O42","formula_reduced":"Li5La3Nb14O42","formula_anonymous":"A3B5C14D42","energy":-568.4371562800001,"energy_per_atom":-8.881830566875001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-539.58315628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013615,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.917000Z","spacegroup":12},{"id":"mp-1041001","created_at":"2022-09-04T14:42:56.279654Z","structure_string":"Cu8 Sb8 O32\n1.0\n9.045387 0.000000 0.000000\n0.000000 6.856499 0.000000\n0.000000 0.258198 11.031186\nCu Sb O\n8 8 32\ndirect\n0.884816 0.161456 0.890995 Cu\n0.962052 0.618570 0.626621 Cu\n0.037948 0.381430 0.373379 Cu\n0.115184 0.838544 0.109005 Cu\n0.615184 0.161456 0.390995 Cu\n0.537948 0.618570 0.126621 Cu\n0.384816 0.838544 0.609005 Cu\n0.462052 0.381430 0.873379 Cu\n0.578644 0.890694 0.880259 Sb\n0.921356 0.890694 0.380259 Sb\n0.876455 0.421638 0.105278 Sb\n0.078644 0.109306 0.619741 Sb\n0.123545 0.578362 0.894722 Sb\n0.376455 0.578362 0.394722 Sb\n0.623545 0.421638 0.605278 Sb\n0.421356 0.109306 0.119741 Sb\n0.709264 0.923868 0.365069 O\n0.984794 0.360731 0.584550 O\n0.309517 0.828162 0.455070 O\n0.809517 0.171838 0.044930 O\n0.790736 0.923868 0.865069 O\n0.290736 0.076132 0.634931 O\n0.943974 0.888195 0.577480 O\n0.069498 0.570167 0.088592 O\n0.430502 0.570167 0.588592 O\n0.125368 0.660971 0.723836 O\n0.625368 0.339029 0.776164 O\n0.930502 0.429833 0.911408 O\n0.056026 0.111805 0.422520 O\n0.459776 0.110441 0.291420 O\n0.760324 0.630855 0.597136 O\n0.739676 0.630855 0.097136 O\n0.959776 0.889559 0.208580 O\n0.569498 0.429833 0.411408 O\n0.540224 0.889559 0.708580 O\n0.690483 0.171838 0.544930 O\n0.515206 0.360731 0.084550 O\n0.874632 0.339029 0.276164 O\n0.209264 0.076132 0.134931 O\n0.556026 0.888195 0.077480 O\n0.190483 0.828162 0.955070 O\n0.260324 0.369145 0.902864 O\n0.015206 0.639269 0.415450 O\n0.484794 0.639269 0.915450 O\n0.443974 0.111805 0.922520 O\n0.239676 0.369145 0.402864 O\n0.374632 0.660971 0.223836 O\n0.040224 0.110441 0.791420 O\n","nsites":48,"nelements":3,"elements":["Cu","Sb","O"],"chemical_system":"Cu-O-Sb","density":4.840785703932281,"density_atomic":0.07015998062157984,"volume":684.1507020775337,"volume_molar":8.58344131034111,"formula_full":"Cu8 Sb8 O32","formula_reduced":"CuSbO4","formula_anonymous":"ABC4","energy":-280.47378691999995,"energy_per_atom":-5.843203894166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.48978692,"band_gap":0.3338000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009915,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.460000Z","spacegroup":14}]}