{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=79","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=77","results":[{"id":"mp-1173614","created_at":"2022-09-04T14:42:51.291828Z","structure_string":"Nd20 Mn19 O60\n1.0\n9.455534 0.000000 0.000000\n3.144033 10.601958 0.000000\n3.208373 2.647022 12.289744\nNd Mn O\n20 19 60\ndirect\n0.457971 0.292466 0.818381 Nd\n0.773419 0.978524 0.726084 Nd\n0.858195 0.892541 0.019512 Nd\n0.430439 0.819151 0.874889 Nd\n0.170667 0.581006 0.925132 Nd\n0.257183 0.490828 0.222534 Nd\n0.742817 0.509172 0.777466 Nd\n0.829333 0.418994 0.074868 Nd\n0.569561 0.180849 0.125111 Nd\n0.659793 0.093312 0.419073 Nd\n0.141805 0.107459 0.980488 Nd\n0.226581 0.021476 0.273916 Nd\n0.973664 0.764835 0.333385 Nd\n0.051113 0.681450 0.613349 Nd\n0.542029 0.707534 0.181619 Nd\n0.642892 0.611602 0.478063 Nd\n0.357108 0.388398 0.521937 Nd\n0.948887 0.318550 0.386651 Nd\n0.026336 0.235165 0.666615 Nd\n0.340207 0.906688 0.580927 Nd\n0.099796 0.399508 0.802957 Mn\n0.400580 0.100289 0.696989 Mn\n0.500000 0.000000 0.000000 Mn\n0.800655 0.700004 0.899340 Mn\n0.100072 0.901458 0.797872 Mn\n0.900204 0.600492 0.197043 Mn\n0.500000 0.500000 0.000000 Mn\n0.199345 0.299996 0.100660 Mn\n0.304301 0.194806 0.401398 Mn\n0.800813 0.199365 0.898922 Mn\n0.899928 0.098542 0.202128 Mn\n0.599420 0.899711 0.303011 Mn\n0.695699 0.805194 0.598602 Mn\n0.199187 0.800635 0.101078 Mn\n0.304490 0.702162 0.401951 Mn\n0.601913 0.399402 0.301269 Mn\n0.695510 0.297838 0.598049 Mn\n0.000000 0.000000 0.500000 Mn\n0.398087 0.600598 0.698731 Mn\n0.275962 0.272533 0.706626 O\n0.748542 0.296661 0.757672 O\n0.993200 0.255623 0.858796 O\n0.675384 0.871809 0.906886 O\n0.919593 0.033781 0.826059 O\n0.802556 0.741427 0.722195 O\n0.216951 0.036070 0.717931 O\n0.982099 0.768401 0.878731 O\n0.394327 0.057675 0.876994 O\n0.150743 0.896683 0.958207 O\n0.282653 0.765478 0.772892 O\n0.208587 0.542753 0.741210 O\n0.392747 0.856664 0.058658 O\n0.319235 0.634365 0.025655 O\n0.073641 0.472861 0.106084 O\n0.207952 0.339601 0.923681 O\n0.449469 0.503694 0.841349 O\n0.618748 0.631738 0.920092 O\n0.381252 0.368262 0.079908 O\n0.550531 0.496306 0.158651 O\n0.792048 0.660399 0.076319 O\n0.926359 0.527139 0.893916 O\n0.680765 0.365635 0.974345 O\n0.607253 0.143336 0.941342 O\n0.791413 0.457247 0.258790 O\n0.470920 0.078853 0.309575 O\n0.717347 0.234522 0.227108 O\n0.849257 0.103317 0.041793 O\n0.605673 0.942325 0.123006 O\n0.017901 0.231599 0.121269 O\n0.783049 0.963930 0.282069 O\n0.197444 0.258573 0.277805 O\n0.950305 0.100922 0.360078 O\n0.080407 0.966219 0.173941 O\n0.324616 0.128191 0.093114 O\n0.006800 0.744377 0.141204 O\n0.200785 0.056489 0.454841 O\n0.114295 0.840505 0.427270 O\n0.846859 0.697007 0.516365 O\n0.251458 0.703339 0.242328 O\n0.003992 0.541373 0.315087 O\n0.417546 0.834623 0.320501 O\n0.187883 0.579875 0.467548 O\n0.588326 0.864853 0.478175 O\n0.352266 0.695755 0.555241 O\n0.724038 0.727467 0.293374 O\n0.486807 0.564496 0.372516 O\n0.411406 0.339238 0.341967 O\n0.588594 0.660762 0.658033 O\n0.513193 0.435504 0.627484 O\n0.647734 0.304245 0.444759 O\n0.411674 0.135147 0.521825 O\n0.812117 0.420125 0.532452 O\n0.582454 0.165377 0.679499 O\n0.996008 0.458627 0.684913 O\n0.885705 0.159495 0.572730 O\n0.153141 0.302993 0.483635 O\n0.799215 0.943511 0.545159 O\n0.049695 0.899078 0.639922 O\n0.529080 0.921147 0.690425 O\n","nsites":99,"nelements":3,"elements":["Nd","Mn","O"],"chemical_system":"Mn-Nd-O","density":6.589022797283999,"density_atomic":0.0803563530358827,"volume":1232.01210930755,"volume_molar":7.494293273004618,"formula_full":"Nd20 Mn19 O60","formula_reduced":"Nd20Mn19O60","formula_anonymous":"A19B20C60","energy":-858.78878825,"energy_per_atom":-8.674634224747475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-785.87678825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":73.0060472,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.229000Z","spacegroup":2},{"id":"mp-1045536","created_at":"2022-09-04T14:42:58.001193Z","structure_string":"Li2 Cr4 O8\n1.0\n-2.931974 3.003872 4.209017\n2.931974 -3.003872 4.209017\n2.931974 3.003872 -4.209017\nLi Cr O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.294766 0.759005 0.535761 O\n0.730794 0.747663 0.516869 O\n0.723244 0.759005 0.964239 O\n0.269206 0.786074 0.016869 O\n0.276756 0.240995 0.035761 O\n0.269206 0.252337 0.483131 O\n0.730794 0.213926 0.983131 O\n0.705234 0.240995 0.464239 O\n","nsites":14,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":3.9179885885761387,"density_atomic":0.09441604994228082,"volume":148.27987411630323,"volume_molar":6.37830195573899,"formula_full":"Li2 Cr4 O8","formula_reduced":"LiCr2O4","formula_anonymous":"AB2C4","energy":-112.71712606,"energy_per_atom":-8.05122329,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.22512606,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999989,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.883000Z","spacegroup":74},{"id":"mp-1245699","created_at":"2022-09-04T14:42:50.774744Z","structure_string":"Ti4 Mn4 N8\n1.0\n5.995704 0.000000 0.000000\n0.000000 7.107276 0.000000\n0.000000 0.000000 4.124040\nTi Mn N\n4 4 8\ndirect\n0.589734 0.374243 0.935250 Ti\n0.410266 0.625757 0.435250 Ti\n0.910266 0.874243 0.435250 Ti\n0.089734 0.125757 0.935250 Ti\n0.571254 0.872233 0.935249 Mn\n0.428746 0.127767 0.435249 Mn\n0.928746 0.372233 0.435249 Mn\n0.071254 0.627767 0.935249 Mn\n0.582464 0.382745 0.435250 N\n0.417536 0.617255 0.935250 N\n0.917536 0.882745 0.935250 N\n0.082464 0.117255 0.435250 N\n0.575583 0.868352 0.435250 N\n0.424417 0.131648 0.935250 N\n0.924417 0.368352 0.935250 N\n0.075583 0.631648 0.435250 N\n","nsites":16,"nelements":3,"elements":["Ti","Mn","N"],"chemical_system":"Mn-N-Ti","density":4.944379956967989,"density_atomic":0.09104450700992152,"volume":175.73822436378737,"volume_molar":6.614502025194931,"formula_full":"Ti4 Mn4 N8","formula_reduced":"TiMnN2","formula_anonymous":"ABC2","energy":-152.93445085000002,"energy_per_atom":-9.558403178125001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.04645085,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.2013426,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.755000Z","spacegroup":62},{"id":"mp-725456","created_at":"2022-09-04T14:42:59.346984Z","structure_string":"Li2 Sn1 O2 F6\n1.0\n3.423732 4.566572 0.000000\n-3.423732 4.566572 0.000000\n0.000000 0.215372 4.688869\nLi Sn O F\n2 1 2 6\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n0.348713 0.348713 0.296109 O\n0.651287 0.651287 0.703891 O\n0.305701 0.889120 0.220232 F\n0.889120 0.305701 0.220232 F\n0.694299 0.110880 0.779768 F\n0.110880 0.694299 0.779768 F\n0.825419 0.825419 0.284829 F\n0.174581 0.174581 0.715171 F\n","nsites":11,"nelements":4,"elements":["Li","Sn","O","F"],"chemical_system":"F-Li-O-Sn","density":3.155097363360294,"density_atomic":0.07502474339178059,"volume":146.6182955476142,"volume_molar":8.026872852536492,"formula_full":"Li2 Sn1 O2 F6","formula_reduced":"Li2Sn(OF3)2","formula_anonymous":"AB2C2D6","energy":-51.55415923,"energy_per_atom":-4.686741748181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.40815923000001,"band_gap":0.684,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9996536,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.372000Z","spacegroup":12},{"id":"mp-1190458","created_at":"2022-09-04T14:42:51.950817Z","structure_string":"Gd2 Zn1 Te2 S2 O14\n1.0\n-5.332340 0.000000 0.000000\n-0.648112 -7.963920 0.000000\n2.357468 3.451449 7.105527\nGd Zn Te S O\n2 1 2 2 14\ndirect\n0.081771 0.252578 0.984882 Gd\n0.918229 0.747422 0.015118 Gd\n0.000000 0.000000 0.500000 Zn\n0.516211 0.270688 0.660169 Te\n0.483789 0.729312 0.339831 Te\n0.761762 0.247276 0.252577 S\n0.238238 0.752724 0.747423 S\n0.887193 0.408101 0.255061 O\n0.112807 0.591899 0.744939 O\n0.870714 0.230724 0.431006 O\n0.129286 0.769276 0.568994 O\n0.474192 0.266789 0.220051 O\n0.525808 0.733211 0.779949 O\n0.822071 0.078351 0.090547 O\n0.177929 0.921649 0.909453 O\n0.749221 0.437924 0.892322 O\n0.250779 0.562076 0.107678 O\n0.278401 0.193400 0.750513 O\n0.721599 0.806600 0.249487 O\n0.750487 0.075657 0.665352 O\n0.249513 0.924343 0.334648 O\n","nsites":21,"nelements":5,"elements":["Gd","Zn","Te","S","O"],"chemical_system":"Gd-O-S-Te-Zn","density":5.080638233751336,"density_atomic":0.06959503841208221,"volume":301.7456485282181,"volume_molar":8.653117948354364,"formula_full":"Gd2 Zn1 Te2 S2 O14","formula_reduced":"Gd2ZnTe2(SO7)2","formula_anonymous":"AB2C2D2E14","energy":-162.79427893,"energy_per_atom":-7.75210852047619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.17627893,"band_gap":0.3121,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000294,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.265000Z","spacegroup":2},{"id":"mp-866820","created_at":"2022-09-04T14:43:00.663059Z","structure_string":"Ca1 Sn1 S3\n1.0\n5.205274 0.000000 0.000000\n0.000000 5.205274 0.000000\n0.000000 0.000000 5.205274\nCa Sn S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 S\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n","nsites":5,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.00213030316611,"density_atomic":0.03545187575598293,"volume":141.03626094188232,"volume_molar":16.986804313122114,"formula_full":"Ca1 Sn1 S3","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy":-20.339606540000005,"energy_per_atom":-4.067921308000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.83060654,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.004433,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.618000Z","spacegroup":221},{"id":"mp-1212055","created_at":"2022-09-04T14:42:51.960406Z","structure_string":"Li1 Mo3 O6\n1.0\n3.974438 -6.416089 0.000000\n3.974438 6.416089 0.000000\n0.000000 0.000000 34.400901\nLi Mo O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.245670 O\n0.000000 0.000000 0.754330 O\n0.289954 0.055571 0.000000 O\n0.710046 0.944429 0.000000 O\n0.055571 0.289954 0.000000 O\n0.944429 0.710046 0.000000 O\n","nsites":10,"nelements":3,"elements":["Li","Mo","O"],"chemical_system":"Li-Mo-O","density":0.3698370272281942,"density_atomic":0.005699727342330088,"volume":1754.4698894161368,"volume_molar":105.65664633245609,"formula_full":"Li1 Mo3 O6","formula_reduced":"Li(MoO2)3","formula_anonymous":"AB3C6","energy":-60.60552371,"energy_per_atom":-6.060552371,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.877523710000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0387986,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.982000Z","spacegroup":65},{"id":"mp-1226019","created_at":"2022-09-04T14:42:53.527032Z","structure_string":"Co5 Ni1 S8\n1.0\n0.000000 4.651446 4.651446\n4.651446 0.000000 4.651446\n4.651446 4.651446 0.000000\nCo Ni S\n5 1 8\ndirect\n0.625362 0.625362 0.123913 Co\n0.625362 0.123913 0.625362 Co\n0.123913 0.625362 0.625362 Co\n0.625362 0.625362 0.625362 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ni\n0.865720 0.865720 0.402841 S\n0.865720 0.402841 0.865720 S\n0.402841 0.865720 0.865720 S\n0.865720 0.865720 0.865720 S\n0.382375 0.382375 0.852876 S\n0.382375 0.852876 0.382375 S\n0.852876 0.382375 0.382375 S\n0.382375 0.382375 0.382375 S\n","nsites":14,"nelements":3,"elements":["Co","Ni","S"],"chemical_system":"Co-Ni-S","density":5.0315187792323455,"density_atomic":0.06955591844670672,"volume":201.27690515260332,"volume_molar":8.657984675472475,"formula_full":"Co5 Ni1 S8","formula_reduced":"Co5NiS8","formula_anonymous":"AB5C8","energy":-84.76835016,"energy_per_atom":-6.054882154285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.74435016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0829713,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.350000Z","spacegroup":216},{"id":"mp-27067","created_at":"2022-09-04T14:42:53.575471Z","structure_string":"Li14 Mo8 P18 O64\n1.0\n14.131536 0.000000 0.000000\n0.000000 14.131536 0.000000\n0.000000 0.000000 6.603434\nLi Mo P O\n14 8 18 64\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.132136 Li\n0.500000 0.000000 0.632136 Li\n0.745576 0.111832 0.797061 Li\n0.611832 0.245576 0.297061 Li\n0.111832 0.254424 0.202939 Li\n0.245576 0.388168 0.702939 Li\n0.000000 0.500000 0.367864 Li\n0.000000 0.500000 0.867864 Li\n0.500000 0.500000 0.500000 Li\n0.754424 0.611832 0.702939 Li\n0.888168 0.745576 0.202939 Li\n0.388168 0.754424 0.297061 Li\n0.254424 0.888168 0.797061 Li\n0.198744 0.120981 0.618561 Mo\n0.879019 0.198744 0.381439 Mo\n0.379019 0.301256 0.118561 Mo\n0.698744 0.379019 0.881439 Mo\n0.301256 0.620981 0.881439 Mo\n0.620981 0.698744 0.118561 Mo\n0.120981 0.801256 0.381439 Mo\n0.801256 0.879019 0.618561 Mo\n0.309741 0.939610 0.383257 P\n0.752176 0.897826 0.128450 P\n0.439610 0.809741 0.883257 P\n0.102174 0.752176 0.871550 P\n0.602174 0.747824 0.628450 P\n0.939610 0.690259 0.616743 P\n0.252176 0.602174 0.371550 P\n0.809741 0.560390 0.116743 P\n0.000000 0.000000 0.500000 P\n0.690259 0.060390 0.383257 P\n0.247824 0.102174 0.128450 P\n0.560390 0.190259 0.883257 P\n0.897826 0.247824 0.871550 P\n0.500000 0.500000 0.000000 P\n0.060390 0.309741 0.616743 P\n0.747824 0.397826 0.371550 P\n0.190259 0.439610 0.116743 P\n0.397826 0.252176 0.628450 P\n0.916443 0.554173 0.114895 O\n0.259635 0.981366 0.571244 O\n0.062936 0.940358 0.354818 O\n0.416443 0.945827 0.385105 O\n0.940358 0.937064 0.645182 O\n0.445827 0.916443 0.885105 O\n0.810513 0.904784 0.935486 O\n0.658116 0.846605 0.109555 O\n0.729407 0.007014 0.181592 O\n0.740365 0.018634 0.571244 O\n0.937064 0.059642 0.354818 O\n0.583557 0.054173 0.385105 O\n0.059642 0.062936 0.645182 O\n0.554173 0.083557 0.885105 O\n0.189487 0.095216 0.935486 O\n0.183895 0.141833 0.297446 O\n0.341884 0.153395 0.109555 O\n0.346605 0.158116 0.609555 O\n0.726293 0.162853 0.350617 O\n0.858167 0.183895 0.702554 O\n0.904784 0.189487 0.064514 O\n0.662853 0.226293 0.850617 O\n0.507014 0.229407 0.681592 O\n0.518634 0.240365 0.071244 O\n0.018634 0.259635 0.428756 O\n0.007014 0.270593 0.818408 O\n0.162853 0.273707 0.649383 O\n0.404784 0.310513 0.435486 O\n0.358167 0.316105 0.797446 O\n0.226293 0.337147 0.149383 O\n0.846605 0.341884 0.890445 O\n0.841884 0.346605 0.390445 O\n0.683895 0.358167 0.202554 O\n0.689487 0.404784 0.564514 O\n0.054173 0.416443 0.614895 O\n0.559642 0.437064 0.854818 O\n0.083557 0.445827 0.114895 O\n0.437064 0.440358 0.145182 O\n0.240365 0.481366 0.928756 O\n0.229407 0.492986 0.318408 O\n0.770593 0.507014 0.318408 O\n0.759635 0.518634 0.928756 O\n0.562936 0.559642 0.145182 O\n0.270593 0.992986 0.181592 O\n0.440358 0.562936 0.854818 O\n0.945827 0.583557 0.614895 O\n0.310513 0.595216 0.564514 O\n0.316105 0.641833 0.202554 O\n0.158116 0.653395 0.390445 O\n0.153395 0.658116 0.890445 O\n0.773707 0.662853 0.149383 O\n0.641833 0.683895 0.797446 O\n0.595216 0.689487 0.435486 O\n0.837147 0.726293 0.649383 O\n0.992986 0.729407 0.818408 O\n0.981366 0.740365 0.428756 O\n0.481366 0.759635 0.071244 O\n0.492986 0.770593 0.681592 O\n0.337147 0.773707 0.850617 O\n0.095216 0.810513 0.064514 O\n0.141833 0.816105 0.702554 O\n0.273707 0.837147 0.350617 O\n0.653395 0.841884 0.609555 O\n0.816105 0.858167 0.297446 O\n","nsites":104,"nelements":4,"elements":["Li","Mo","P","O"],"chemical_system":"Li-Mo-O-P","density":3.0802751860915194,"density_atomic":0.07886508202663381,"volume":1318.7078150109296,"volume_molar":7.6360039262575565,"formula_full":"Li14 Mo8 P18 O64","formula_reduced":"Li7Mo4P9O32","formula_anonymous":"A4B7C9D32","energy":-789.0789037500001,"energy_per_atom":-7.587297151442309,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-719.49490375,"band_gap":3.7758,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0204256,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.324000Z","spacegroup":114},{"id":"mp-24573","created_at":"2022-09-04T14:42:51.965099Z","structure_string":"K4 Ni2 H16 C4 O20\n1.0\n6.285506 0.000000 0.000000\n0.000000 6.892768 0.000000\n0.000000 5.069480 11.209075\nK Ni H C O\n4 2 16 4 20\ndirect\n0.844717 0.235706 0.682505 K\n0.344717 0.764294 0.817495 K\n0.655283 0.235706 0.182505 K\n0.155283 0.764294 0.317495 K\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.674768 0.296492 0.923197 H\n0.174768 0.703508 0.576803 H\n0.325232 0.703508 0.076803 H\n0.825232 0.296492 0.423197 H\n0.889450 0.426951 0.890128 H\n0.389450 0.573049 0.609872 H\n0.659306 0.805505 0.367347 H\n0.159306 0.194495 0.132653 H\n0.340694 0.194495 0.632653 H\n0.610550 0.426951 0.390128 H\n0.300484 0.205141 0.017120 H\n0.800484 0.794859 0.482880 H\n0.699516 0.794859 0.982880 H\n0.199516 0.205141 0.517120 H\n0.110550 0.573049 0.109872 H\n0.840694 0.805505 0.867347 H\n0.657423 0.744343 0.181002 C\n0.842577 0.744343 0.681002 C\n0.342577 0.255657 0.818998 C\n0.157423 0.255657 0.318998 C\n0.172822 0.708726 0.050677 O\n0.585304 0.672404 0.105002 O\n0.719375 0.893614 0.408610 O\n0.219375 0.106386 0.091390 O\n0.280625 0.106386 0.591390 O\n0.780625 0.893614 0.908610 O\n0.672822 0.291274 0.449323 O\n0.085304 0.327596 0.394998 O\n0.327178 0.708726 0.550677 O\n0.827178 0.291274 0.949323 O\n0.816205 0.876313 0.153747 O\n0.316205 0.123687 0.346253 O\n0.183795 0.123687 0.846253 O\n0.683795 0.876313 0.653747 O\n0.068535 0.316232 0.214777 O\n0.431465 0.316232 0.714777 O\n0.914696 0.672404 0.605002 O\n0.568535 0.683768 0.285223 O\n0.414696 0.327596 0.894998 O\n0.931465 0.683768 0.785223 O\n","nsites":46,"nelements":5,"elements":["K","Ni","H","C","O"],"chemical_system":"C-H-K-Ni-O","density":2.2497293842661907,"density_atomic":0.09472271777490261,"volume":485.62795790249163,"volume_molar":6.357651998869911,"formula_full":"K4 Ni2 H16 C4 O20","formula_reduced":"K2NiH8(CO5)2","formula_anonymous":"AB2C2D8E10","energy":-279.70908249,"energy_per_atom":-6.080632228043479,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.88708249,"band_gap":4.3339,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0004439,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.481000Z","spacegroup":14},{"id":"mp-753090","created_at":"2022-09-04T14:42:58.126396Z","structure_string":"Li4 Cu4 F14\n1.0\n5.333766 0.000000 0.000000\n0.595040 6.418165 0.000000\n2.374749 2.420030 8.017689\nLi Cu F\n4 4 14\ndirect\n0.093151 0.411237 0.266307 Li\n0.544920 0.240875 0.358511 Li\n0.455080 0.759125 0.641489 Li\n0.906849 0.588763 0.733693 Li\n0.303766 0.006895 0.170855 Cu\n0.787567 0.790005 0.303660 Cu\n0.212433 0.209995 0.696340 Cu\n0.696234 0.993105 0.829145 Cu\n0.403725 0.280787 0.159770 F\n0.152375 0.732142 0.200753 F\n0.673762 0.908258 0.088074 F\n0.934519 0.085040 0.261308 F\n0.735317 0.501367 0.302492 F\n0.182435 0.299072 0.470846 F\n0.445287 0.888710 0.394614 F\n0.554713 0.111290 0.605386 F\n0.817565 0.700928 0.529154 F\n0.264683 0.498633 0.697508 F\n0.065481 0.914960 0.738692 F\n0.326238 0.091742 0.911926 F\n0.847625 0.267858 0.799247 F\n0.596275 0.719213 0.840230 F\n","nsites":22,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":3.314947708535189,"density_atomic":0.08015463448412369,"volume":274.4694694398184,"volume_molar":7.513153542223204,"formula_full":"Li4 Cu4 F14","formula_reduced":"Li2Cu2F7","formula_anonymous":"A2B2C7","energy":-100.17712863,"energy_per_atom":-4.553505846818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.70912863,"band_gap":0.0054,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8454136,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.755000Z","spacegroup":2},{"id":"mp-554005","created_at":"2022-09-04T14:42:59.966701Z","structure_string":"K4 Gd4 C4 O12 F8\n1.0\n0.000000 5.663581 11.040599\n3.532622 0.000000 11.040599\n3.532622 5.663581 0.000000\nK Gd C O F\n4 4 4 12 8\ndirect\n0.832331 0.832331 0.667669 K\n0.667669 0.667669 0.832331 K\n0.582331 0.582331 0.417669 K\n0.417669 0.417669 0.582331 K\n0.067316 0.432684 0.067316 Gd\n0.817316 0.182684 0.817316 Gd\n0.432684 0.067316 0.432684 Gd\n0.182684 0.817316 0.182684 Gd\n0.122186 0.122186 0.877814 C\n0.877814 0.877814 0.122186 C\n0.127814 0.127814 0.372186 C\n0.372186 0.372186 0.127814 C\n0.187345 0.187345 0.312655 O\n0.062655 0.062655 0.937345 O\n0.939939 0.258532 0.561577 O\n0.561577 0.239952 0.939939 O\n0.010048 0.688423 0.991468 O\n0.312655 0.312655 0.187345 O\n0.258532 0.939939 0.239952 O\n0.239952 0.561577 0.258532 O\n0.310061 0.991468 0.688423 O\n0.688423 0.010048 0.310061 O\n0.937345 0.937345 0.062655 O\n0.991468 0.310061 0.010048 O\n0.774281 0.693289 0.434390 F\n0.693289 0.774281 0.098041 F\n0.434390 0.098041 0.774281 F\n0.475719 0.556711 0.815610 F\n0.098041 0.434390 0.693289 F\n0.151959 0.815610 0.556711 F\n0.556711 0.475719 0.151959 F\n0.815610 0.151959 0.475719 F\n","nsites":32,"nelements":5,"elements":["K","Gd","C","O","F"],"chemical_system":"C-F-Gd-K-O","density":4.425558874467391,"density_atomic":0.07243343161894174,"volume":441.7849504679801,"volume_molar":8.314034866774389,"formula_full":"K4 Gd4 C4 O12 F8","formula_reduced":"KGdCO3F2","formula_anonymous":"ABCD2E3","energy":-272.0263172,"energy_per_atom":-8.5008224125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.0863172,"band_gap":0.4727,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.9498438,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.152000Z","spacegroup":70}]}