{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=10238","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=10236","results":[{"id":"mp-1226085","created_at":"2022-09-04T14:47:46.219165Z","structure_string":"Co1 Cu2 Sn3 S8\n1.0\n6.329267 -3.665840 0.000000\n6.329267 3.665840 0.000000\n4.206055 0.000000 5.983904\nCo Cu Sn S\n1 2 3 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.380097 0.380097 0.380097 Cu\n0.619903 0.619903 0.619903 Cu\n0.500000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.250843 0.250843 0.250843 S\n0.770644 0.230510 0.230510 S\n0.230510 0.230510 0.770644 S\n0.230510 0.770644 0.230510 S\n0.749157 0.749157 0.749157 S\n0.229356 0.769490 0.769490 S\n0.769490 0.769490 0.229356 S\n0.769490 0.229356 0.769490 S\n","nsites":14,"nelements":4,"elements":["Co","Cu","Sn","S"],"chemical_system":"Co-Cu-S-Sn","density":4.776147805397681,"density_atomic":0.050418102866527044,"volume":277.6780403075163,"volume_molar":11.944401747805834,"formula_full":"Co1 Cu2 Sn3 S8","formula_reduced":"CoCu2Sn3S8","formula_anonymous":"AB2C3D8","energy":-69.46269554,"energy_per_atom":-4.96162111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.43869554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.999403,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.685000Z","spacegroup":166},{"id":"mp-12801","created_at":"2022-09-04T14:41:12.374582Z","structure_string":"Co1 Cu2 Sn1\n1.0\n0.000000 3.030590 3.030590\n3.030590 0.000000 3.030590\n3.030590 3.030590 0.000000\nCo Cu Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":3,"elements":["Co","Cu","Sn"],"chemical_system":"Co-Cu-Sn","density":9.08992206342242,"density_atomic":0.07185358446342467,"volume":55.66876071486876,"volume_molar":8.381127823992447,"formula_full":"Co1 Cu2 Sn1","formula_reduced":"CoCu2Sn","formula_anonymous":"ABC2","energy":-18.53749427,"energy_per_atom":-4.6343735675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.53749427,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0659413,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.367000Z","spacegroup":225},{"id":"mp-11769","created_at":"2022-09-04T14:45:12.955598Z","structure_string":"Co1 Cu2 Si1 S4\n1.0\n-2.600821 2.600821 5.236930\n2.600821 -2.600821 5.236930\n2.600821 2.600821 -5.236930\nCo Cu Si S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.620730 0.138818 0.000000 S\n0.138818 0.620730 0.000000 S\n0.861182 0.861182 0.481912 S\n0.379270 0.379270 0.518088 S\n","nsites":8,"nelements":4,"elements":["Co","Cu","Si","S"],"chemical_system":"Co-Cu-S-Si","density":4.012250089059425,"density_atomic":0.05645888544050391,"volume":141.69603132584612,"volume_molar":10.666418072220186,"formula_full":"Co1 Cu2 Si1 S4","formula_reduced":"CoCu2SiS4","formula_anonymous":"ABC2D4","energy":-42.44905788,"energy_per_atom":-5.306132235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.43705788,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998957,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.723000Z","spacegroup":121},{"id":"mp-1226124","created_at":"2022-09-04T14:45:59.196711Z","structure_string":"Co1 Cu2 O3\n1.0\n-1.494253 1.494253 6.549175\n1.494253 -1.494253 6.549175\n1.494253 1.494253 -6.549175\nCo Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.334642 0.334642 0.000000 Cu\n0.665358 0.665358 0.000000 Cu\n0.837322 0.837322 0.000000 O\n0.162678 0.162678 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Co","Cu","O"],"chemical_system":"Co-Cu-O","density":6.643753541012945,"density_atomic":0.10257851103960318,"volume":58.49178292014338,"volume_molar":5.870762500807787,"formula_full":"Co1 Cu2 O3","formula_reduced":"CoCu2O3","formula_anonymous":"AB2C3","energy":-34.78218772,"energy_per_atom":-5.797031286666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.08318772,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9490347,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.936000Z","spacegroup":139},{"id":"mp-20334","created_at":"2022-09-04T14:42:27.218359Z","structure_string":"Co2 Cu4 O6\n1.0\n3.346759 0.000000 0.000000\n0.000000 3.941289 0.000000\n0.000000 0.000000 9.631431\nCo Cu O\n2 4 6\ndirect\n0.194219 0.500000 0.500000 Co\n0.805781 0.000000 0.000000 Co\n0.686599 0.000000 0.664336 Cu\n0.686599 0.000000 0.335664 Cu\n0.313401 0.500000 0.835664 Cu\n0.313401 0.500000 0.164336 Cu\n0.390311 0.000000 0.160244 O\n0.390311 0.000000 0.839756 O\n0.609689 0.500000 0.339756 O\n0.609689 0.500000 0.660244 O\n0.989890 0.500000 0.000000 O\n0.010110 0.000000 0.500000 O\n","nsites":12,"nelements":3,"elements":["Co","Cu","O"],"chemical_system":"Co-Cu-O","density":6.117652859039323,"density_atomic":0.09445559915242535,"volume":127.04381855262282,"volume_molar":6.375631316764951,"formula_full":"Co2 Cu4 O6","formula_reduced":"CoCu2O3","formula_anonymous":"AB2C3","energy":-72.12524798999999,"energy_per_atom":-6.0104373325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.72724799,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6874524,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.185000Z","spacegroup":59},{"id":"mp-1213845","created_at":"2022-09-04T14:44:15.797688Z","structure_string":"Co2 Cu4 Ge2 Se8\n1.0\n6.520531 0.000000 0.000000\n0.000000 6.797815 0.000000\n0.000000 0.000000 7.853576\nCo Cu Ge Se\n2 4 2 8\ndirect\n0.505829 0.339052 0.000000 Co\n0.005829 0.660948 0.500000 Co\n0.512912 0.825722 0.249280 Cu\n0.012912 0.174278 0.250720 Cu\n0.012912 0.174278 0.749280 Cu\n0.512912 0.825722 0.750720 Cu\n0.002867 0.668658 0.000000 Ge\n0.502867 0.331342 0.500000 Ge\n0.871962 0.332151 0.000000 Se\n0.371962 0.667849 0.500000 Se\n0.882499 0.839161 0.258952 Se\n0.382499 0.160839 0.241048 Se\n0.382499 0.160839 0.758952 Se\n0.882499 0.839161 0.741048 Se\n0.381020 0.664553 0.000000 Se\n0.881020 0.335447 0.500000 Se\n","nsites":16,"nelements":4,"elements":["Co","Cu","Ge","Se"],"chemical_system":"Co-Cu-Ge-Se","density":5.4809179069206655,"density_atomic":0.045962138449783446,"volume":348.1126105018159,"volume_molar":13.102394629831185,"formula_full":"Co2 Cu4 Ge2 Se8","formula_reduced":"CoCu2GeSe4","formula_anonymous":"ABC2D4","energy":-74.69794118,"energy_per_atom":-4.66862132375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.92194118,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.816971,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.227000Z","spacegroup":31},{"id":"mp-1226052","created_at":"2022-09-04T14:43:15.754836Z","structure_string":"Co1 Cu2 Ge1 Se4\n1.0\n-2.800063 2.800063 5.582456\n2.800063 -2.800063 5.582456\n2.800063 2.800063 -5.582456\nCo Cu Ge Se\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Ge\n0.622113 0.128927 0.993929 Se\n0.871073 0.865002 0.493187 Se\n0.134998 0.628184 0.006071 Se\n0.371816 0.377887 0.506813 Se\n","nsites":8,"nelements":4,"elements":["Co","Cu","Ge","Se"],"chemical_system":"Co-Cu-Ge-Se","density":5.449067050122716,"density_atomic":0.0456950420409788,"volume":175.0736982105343,"volume_molar":13.17898067496997,"formula_full":"Co1 Cu2 Ge1 Se4","formula_reduced":"CoCu2GeSe4","formula_anonymous":"ABC2D4","energy":-37.50272257,"energy_per_atom":-4.68784032125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.61472257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9763923,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.370000Z","spacegroup":82},{"id":"mp-6498","created_at":"2022-09-04T14:39:27.985418Z","structure_string":"Co1 Cu2 Ge1 S4\n1.0\n-2.635671 2.635671 5.282526\n2.635671 -2.635671 5.282526\n2.635671 2.635671 -5.282526\nCo Cu Ge S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.121444 0.628626 0.000000 S\n0.628626 0.121444 0.000000 S\n0.371374 0.371374 0.492818 S\n0.878556 0.878556 0.507182 S\n","nsites":8,"nelements":4,"elements":["Co","Cu","Ge","S"],"chemical_system":"Co-Cu-Ge-S","density":4.377156522302147,"density_atomic":0.05450118639074927,"volume":146.78579549890082,"volume_molar":11.049559025786941,"formula_full":"Co1 Cu2 Ge1 S4","formula_reduced":"CoCu2GeS4","formula_anonymous":"ABC2D4","energy":-40.92233931,"energy_per_atom":-5.11529241375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.91033931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9918482,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.288000Z","spacegroup":121},{"id":"mp-620325","created_at":"2022-09-04T14:40:07.286192Z","structure_string":"Co4 Cu8 B8 O24\n1.0\n3.270502 -0.024190 0.000000\n-0.660507 9.247017 0.000000\n0.000000 0.000000 14.941149\nCo Cu B O\n4 8 8 24\ndirect\n0.804755 0.621872 0.862990 Co\n0.195245 0.878128 0.362990 Co\n0.804755 0.121872 0.637010 Co\n0.195245 0.378128 0.137010 Co\n0.310564 0.363054 0.543176 Cu\n0.310564 0.863054 0.956824 Cu\n0.689436 0.636946 0.456824 Cu\n0.689436 0.136946 0.043176 Cu\n0.667089 0.124737 0.257588 Cu\n0.332911 0.375263 0.757588 Cu\n0.667089 0.624737 0.242412 Cu\n0.332911 0.875263 0.742412 Cu\n0.813428 0.595051 0.652198 B\n0.863487 0.665172 0.079743 B\n0.186572 0.404949 0.347802 B\n0.136513 0.834828 0.579743 B\n0.813428 0.095051 0.847802 B\n0.863487 0.165172 0.420257 B\n0.136513 0.334828 0.920257 B\n0.186572 0.904949 0.152198 B\n0.769056 0.530098 0.733485 O\n0.769056 0.030098 0.766515 O\n0.698167 0.037573 0.383766 O\n0.301833 0.962427 0.616234 O\n0.089891 0.297446 0.006238 O\n0.664427 0.740136 0.346140 O\n0.664427 0.240136 0.153860 O\n0.089891 0.797446 0.493762 O\n0.679646 0.536479 0.573235 O\n0.301833 0.462427 0.883766 O\n0.910109 0.202554 0.506238 O\n0.015248 0.236387 0.848615 O\n0.320354 0.963521 0.073235 O\n0.335573 0.759864 0.846140 O\n0.984752 0.763613 0.151385 O\n0.230944 0.469902 0.266515 O\n0.320354 0.463521 0.426765 O\n0.015248 0.736387 0.651385 O\n0.698167 0.537573 0.116234 O\n0.230944 0.969902 0.233485 O\n0.984752 0.263613 0.348615 O\n0.910109 0.702554 0.993762 O\n0.335573 0.259864 0.653860 O\n0.679646 0.036479 0.926765 O\n","nsites":44,"nelements":4,"elements":["Co","Cu","B","O"],"chemical_system":"B-Co-Cu-O","density":4.465834749835607,"density_atomic":0.09742762409354856,"volume":451.61729447237525,"volume_molar":6.181142993097759,"formula_full":"Co4 Cu8 B8 O24","formula_reduced":"CoCu2(BO3)2","formula_anonymous":"AB2C2D6","energy":-313.31141085,"energy_per_atom":-7.120713882954546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-290.27141085,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.000845,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.101000Z","spacegroup":14},{"id":"mp-1095455","created_at":"2022-09-04T14:40:57.210795Z","structure_string":"Co1 C1 S1 N6 Cl2\n1.0\n-4.991343 0.000000 0.000000\n0.000000 4.991343 0.000000\n2.495672 -2.495672 -5.665116\nCo C S N Cl\n1 1 1 6 2\ndirect\n0.984199 0.984199 0.968399 Co\n0.270462 0.270462 0.540924 C\n0.438523 0.438523 0.877046 S\n0.839556 0.839556 0.679113 N\n0.286676 0.286676 0.997341 N\n0.710666 0.710666 0.997341 N\n0.286676 0.710666 0.997341 N\n0.710666 0.286676 0.997341 N\n0.166586 0.166586 0.333171 N\n0.797995 0.297995 0.595990 Cl\n0.297995 0.797995 0.595990 Cl\n","nsites":11,"nelements":5,"elements":["Co","C","S","N","Cl"],"chemical_system":"C-Cl-Co-N-S","density":3.0349362319912543,"density_atomic":0.07793796246703545,"volume":141.13789547234504,"volume_molar":7.726838846405713,"formula_full":"Co1 C1 S1 N6 Cl2","formula_reduced":"CoCS(N3Cl)2","formula_anonymous":"ABCD2E6","energy":-59.51835326,"energy_per_atom":-5.410759387272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.12435326000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0251848,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.150000Z","spacegroup":107},{"id":"mp-510741","created_at":"2022-09-04T14:43:40.059199Z","structure_string":"Co1 C4 O4\n1.0\n5.765267 0.000000 0.000000\n0.000000 5.765267 0.000000\n0.000000 0.000000 5.765267\nCo C O\n1 4 4\ndirect\n0.500000 0.500000 0.500000 Co\n0.318725 0.681275 0.681275 C\n0.318725 0.318725 0.318725 C\n0.681275 0.318725 0.681275 C\n0.681275 0.681275 0.318725 C\n0.202798 0.202798 0.202798 O\n0.202798 0.797202 0.797202 O\n0.797202 0.202798 0.797202 O\n0.797202 0.797202 0.202798 O\n","nsites":9,"nelements":3,"elements":["Co","C","O"],"chemical_system":"C-Co-O","density":1.4815621207079883,"density_atomic":0.04696607142643189,"volume":191.62769477318724,"volume_molar":12.822321682649441,"formula_full":"Co1 C4 O4","formula_reduced":"Co(CO)4","formula_anonymous":"AB4C4","energy":-70.07653651,"energy_per_atom":-7.786281834444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.69053651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9979384,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.534000Z","spacegroup":215},{"id":"mp-608469","created_at":"2022-09-04T14:40:15.204472Z","structure_string":"Co8 C32 O32\n1.0\n15.350489 0.000000 0.000000\n0.000000 6.484003 0.000000\n0.000000 0.104590 11.086635\nCo C O\n8 32 32\ndirect\n0.666558 0.243677 0.552107 Co\n0.666718 0.752230 0.083219 Co\n0.333282 0.247770 0.916781 Co\n0.166558 0.756323 0.447893 Co\n0.166718 0.247770 0.916781 Co\n0.833282 0.752230 0.083219 Co\n0.833442 0.243677 0.552107 Co\n0.333442 0.756323 0.447893 Co\n0.602836 0.622663 0.194209 C\n0.613542 0.999568 0.073933 C\n0.750000 0.021241 0.569039 C\n0.897164 0.622663 0.194209 C\n0.866447 0.677327 0.934585 C\n0.383989 0.506641 0.442609 C\n0.127837 0.830423 0.301278 C\n0.604173 0.112573 0.441530 C\n0.113542 0.000432 0.926067 C\n0.102836 0.377337 0.805791 C\n0.116011 0.506641 0.442609 C\n0.750000 0.528424 0.073696 C\n0.250000 0.978759 0.430961 C\n0.104173 0.887427 0.558470 C\n0.133553 0.322673 0.065415 C\n0.872163 0.169577 0.698722 C\n0.750000 0.875247 0.192596 C\n0.627837 0.169577 0.698722 C\n0.883989 0.493359 0.557391 C\n0.886458 0.999568 0.073933 C\n0.372163 0.830423 0.301278 C\n0.250000 0.124753 0.807404 C\n0.386458 0.000432 0.926067 C\n0.366447 0.322673 0.065415 C\n0.895827 0.112573 0.441530 C\n0.395827 0.887427 0.558470 C\n0.633553 0.677327 0.934585 C\n0.750000 0.365553 0.441411 C\n0.250000 0.471576 0.926304 C\n0.397164 0.377337 0.805791 C\n0.616011 0.493359 0.557391 C\n0.250000 0.634447 0.558589 C\n0.078703 0.351724 0.443987 O\n0.612639 0.624440 0.839350 O\n0.573497 0.150673 0.071350 O\n0.061118 0.970774 0.628708 O\n0.561118 0.029226 0.371292 O\n0.421297 0.351724 0.443987 O\n0.750000 0.841285 0.586899 O\n0.058986 0.458708 0.734860 O\n0.398760 0.880892 0.207709 O\n0.601240 0.119108 0.792291 O\n0.250000 0.531862 0.647244 O\n0.921297 0.648276 0.556013 O\n0.250000 0.652518 0.938478 O\n0.250000 0.158715 0.413101 O\n0.250000 0.023851 0.719312 O\n0.112639 0.375560 0.160650 O\n0.438882 0.970774 0.628708 O\n0.941014 0.541292 0.265140 O\n0.558986 0.541292 0.265140 O\n0.750000 0.468138 0.352756 O\n0.441014 0.458708 0.734860 O\n0.101240 0.880892 0.207709 O\n0.926503 0.150673 0.071350 O\n0.578703 0.648276 0.556013 O\n0.898760 0.119108 0.792291 O\n0.938882 0.029226 0.371292 O\n0.426503 0.849327 0.928650 O\n0.750000 0.976149 0.280688 O\n0.750000 0.347482 0.061522 O\n0.387361 0.375560 0.160650 O\n0.887361 0.624440 0.839350 O\n0.073497 0.849327 0.928650 O\n","nsites":72,"nelements":3,"elements":["Co","C","O"],"chemical_system":"C-Co-O","density":2.058272901993679,"density_atomic":0.06524801814177696,"volume":1103.4817922523212,"volume_molar":9.229614832000772,"formula_full":"Co8 C32 O32","formula_reduced":"Co(CO)4","formula_anonymous":"AB4C4","energy":-568.5747684199999,"energy_per_atom":-7.89687178361111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-533.48676842,"band_gap":2.6524,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.46e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.261000Z","spacegroup":11}]}