{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12132","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12130","results":[{"id":"mp-1096264","created_at":"2022-09-04T14:41:49.333670Z","structure_string":"Zr1 Cu2 Ag1\n1.0\n-5.052912 5.323866 7.466677\n5.052912 -5.323866 7.466677\n5.052912 5.323866 -7.466677\nZr Cu Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.252675 0.252675 Cu\n0.000000 0.747325 0.747325 Cu\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Zr","Cu","Ag"],"chemical_system":"Ag-Cu-Zr","density":0.674148870644453,"density_atomic":0.004978560449732285,"volume":803.4451003231454,"volume_molar":120.96148717695759,"formula_full":"Zr1 Cu2 Ag1","formula_reduced":"ZrCu2Ag","formula_anonymous":"ABC2","energy":-10.33939801,"energy_per_atom":-2.5848495025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.33939801,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9475289,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.861000Z","spacegroup":71},{"id":"mp-1096676","created_at":"2022-09-04T14:45:04.165658Z","structure_string":"Zr1 Cu2 Au1\n1.0\n-4.494574 4.968450 6.344222\n4.494574 -4.968450 6.344222\n4.494574 4.968450 -6.344222\nZr Cu Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.253758 0.000000 0.253758 Cu\n0.746242 0.000000 0.746242 Cu\n0.500000 0.000000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Cu","Au"],"chemical_system":"Au-Cu-Zr","density":1.216872224156963,"density_atomic":0.007058495945048889,"volume":566.6929656318298,"volume_molar":85.31762016841805,"formula_full":"Zr1 Cu2 Au1","formula_reduced":"ZrCu2Au","formula_anonymous":"ABC2","energy":-11.18276303,"energy_per_atom":-2.7956907575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.18276303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8120504,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.672000Z","spacegroup":71},{"id":"mp-981312","created_at":"2022-09-04T14:39:32.656436Z","structure_string":"Zr1 Cu2 Hg1\n1.0\n0.000000 3.205767 3.205767\n3.205767 0.000000 3.205767\n3.205767 3.205767 0.000000\nZr Cu Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Zr","Cu","Hg"],"chemical_system":"Cu-Hg-Zr","density":10.556982962446249,"density_atomic":0.060706351709207775,"volume":65.89096342274989,"volume_molar":9.92011641359528,"formula_full":"Zr1 Cu2 Hg1","formula_reduced":"ZrCu2Hg","formula_anonymous":"ABC2","energy":-17.52311924,"energy_per_atom":-4.38077981,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.52311924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.87e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.423000Z","spacegroup":225},{"id":"mp-1178622","created_at":"2022-09-04T14:44:43.992049Z","structure_string":"Zr2 Cu4 O24 F16\n1.0\n3.956185 7.633169 0.000000\n-3.956185 7.633169 0.000000\n0.000000 4.627078 11.254140\nZr Cu O F\n2 4 24 16\ndirect\n0.265780 0.734220 0.250000 Zr\n0.734220 0.265780 0.750000 Zr\n0.954866 0.268589 0.238240 Cu\n0.731411 0.045134 0.261760 Cu\n0.045134 0.731411 0.761760 Cu\n0.268589 0.954866 0.738240 Cu\n0.155221 0.278668 0.117128 O\n0.721332 0.844779 0.382872 O\n0.844779 0.721332 0.882872 O\n0.278668 0.155221 0.617128 O\n0.720652 0.360604 0.355536 O\n0.639396 0.279348 0.144464 O\n0.279348 0.639396 0.644464 O\n0.360605 0.720652 0.855536 O\n0.855004 0.735961 0.127954 O\n0.264039 0.144996 0.372046 O\n0.144996 0.264039 0.872046 O\n0.735961 0.855004 0.627954 O\n0.666817 0.248274 0.440320 O\n0.751726 0.333183 0.059680 O\n0.333183 0.751726 0.559680 O\n0.248274 0.666817 0.940320 O\n0.100098 0.279334 0.359859 O\n0.720666 0.899902 0.140141 O\n0.899902 0.720666 0.640141 O\n0.279334 0.100098 0.859859 O\n0.837751 0.395359 0.091981 O\n0.604641 0.162249 0.408019 O\n0.162249 0.604641 0.908019 O\n0.395359 0.837751 0.591981 O\n0.003174 0.931649 0.171200 F\n0.068351 0.996826 0.328800 F\n0.996826 0.068351 0.828800 F\n0.931649 0.003174 0.671200 F\n0.275049 0.566160 0.409823 F\n0.433840 0.724951 0.090177 F\n0.724951 0.433840 0.590177 F\n0.566160 0.275049 0.909823 F\n0.900792 0.668579 0.370815 F\n0.331421 0.099208 0.129185 F\n0.099208 0.331421 0.629185 F\n0.668579 0.900792 0.870815 F\n0.256512 0.529630 0.211377 F\n0.470370 0.743488 0.288623 F\n0.743488 0.470370 0.788623 F\n0.529630 0.256512 0.711377 F\n","nsites":46,"nelements":4,"elements":["Zr","Cu","O","F"],"chemical_system":"Cu-F-O-Zr","density":2.7473900943009695,"density_atomic":0.0676759019854681,"volume":679.7101870896006,"volume_molar":8.898500918825022,"formula_full":"Zr2 Cu4 O24 F16","formula_reduced":"ZrCu2(O3F2)4","formula_anonymous":"AB2C8D12","energy":-226.91110084,"energy_per_atom":-4.932850018260869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.51910084,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9620201,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.065000Z","spacegroup":15},{"id":"mp-1198265","created_at":"2022-09-04T14:46:32.434323Z","structure_string":"Zr2 Cu4 O24 F16\n1.0\n-6.317148 -4.317394 3.951485\n6.317148 -4.317394 -3.951485\n5.874352 4.317394 6.823225\nZr Cu O F\n2 4 24 16\ndirect\n0.997618 0.247618 0.750000 Zr\n0.002382 0.752382 0.250000 Zr\n0.652754 0.590275 0.757053 Cu\n0.333222 0.895700 0.742947 Cu\n0.347246 0.409725 0.242947 Cu\n0.666778 0.104300 0.257053 Cu\n0.773087 0.676786 0.637580 O\n0.539206 0.135507 0.862420 O\n0.226913 0.323214 0.362420 O\n0.460794 0.864493 0.137580 O\n0.548599 0.516256 0.888315 O\n0.127941 0.660283 0.611685 O\n0.451401 0.483744 0.111685 O\n0.872059 0.339717 0.388315 O\n0.562365 0.357224 0.642692 O\n0.214533 0.919673 0.857308 O\n0.437635 0.642776 0.357308 O\n0.785467 0.080327 0.142692 O\n0.714424 0.819847 0.855764 O\n0.464082 0.858659 0.644236 O\n0.285576 0.180153 0.144236 O\n0.535918 0.141341 0.355764 O\n0.989072 0.684707 0.879481 O\n0.305225 0.109591 0.620519 O\n0.010928 0.315293 0.120519 O\n0.694775 0.890409 0.379481 O\n0.385382 0.563273 0.598524 O\n0.464749 0.786858 0.901476 O\n0.614618 0.436727 0.401476 O\n0.535251 0.213142 0.098524 O\n0.713880 0.125076 0.572890 F\n0.052185 0.140989 0.927110 F\n0.286120 0.874924 0.427110 F\n0.947815 0.859011 0.072890 F\n0.238689 0.505427 0.918951 F\n0.086476 0.319738 0.581049 F\n0.761311 0.494573 0.081049 F\n0.913524 0.680262 0.418951 F\n0.830996 0.256714 0.863561 F\n0.893153 0.967434 0.636439 F\n0.169004 0.743286 0.136439 F\n0.106847 0.032566 0.363561 F\n0.952537 0.481141 0.711342 F\n0.269799 0.241194 0.788658 F\n0.047463 0.518859 0.288658 F\n0.730201 0.758806 0.211342 F\n","nsites":46,"nelements":4,"elements":["Zr","Cu","O","F"],"chemical_system":"Cu-F-O-Zr","density":3.261187986987703,"density_atomic":0.08033218108392448,"volume":572.622321208271,"volume_molar":7.496548305726394,"formula_full":"Zr2 Cu4 O24 F16","formula_reduced":"ZrCu2(O3F2)4","formula_anonymous":"AB2C8D12","energy":-204.32928981,"energy_per_atom":-4.441941082826087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.44928981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":43.9887744,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.177000Z","spacegroup":15},{"id":"mp-30019","created_at":"2022-09-04T14:40:19.333002Z","structure_string":"Zr2 Cu4 Te6\n1.0\n2.042253 10.278281 0.000000\n-2.042253 10.278281 0.000000\n0.000000 1.101881 7.291429\nZr Cu Te\n2 4 6\ndirect\n0.853928 0.853928 0.054194 Zr\n0.146072 0.146072 0.945806 Zr\n0.548721 0.548721 0.850557 Cu\n0.451279 0.451279 0.149443 Cu\n0.786490 0.786490 0.426158 Cu\n0.213510 0.213510 0.573842 Cu\n0.579961 0.579961 0.179929 Te\n0.420039 0.420039 0.820071 Te\n0.250047 0.250047 0.218080 Te\n0.749953 0.749953 0.781920 Te\n0.916076 0.916076 0.364399 Te\n0.083925 0.083925 0.635601 Te\n","nsites":12,"nelements":3,"elements":["Zr","Cu","Te"],"chemical_system":"Cu-Te-Zr","density":6.521758375121917,"density_atomic":0.03920203117328334,"volume":306.1065878693078,"volume_molar":15.361807997602334,"formula_full":"Zr2 Cu4 Te6","formula_reduced":"ZrCu2Te3","formula_anonymous":"AB2C3","energy":-60.74646619000001,"energy_per_atom":-5.062205515833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.21446619,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000233,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.209000Z","spacegroup":12},{"id":"mp-1188040","created_at":"2022-09-04T14:41:46.098484Z","structure_string":"Zr2 Cu6\n1.0\n2.827934 -4.898125 0.000000\n2.827934 4.898125 0.000000\n0.000000 0.000000 4.243634\nZr Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.151268 0.302536 0.250000 Cu\n0.697464 0.848732 0.250000 Cu\n0.151268 0.848732 0.250000 Cu\n0.848732 0.697464 0.750000 Cu\n0.302536 0.151268 0.750000 Cu\n0.848732 0.151268 0.750000 Cu\n","nsites":8,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":7.962484002987549,"density_atomic":0.06804918645551396,"volume":117.56202265885823,"volume_molar":8.849688106024422,"formula_full":"Zr2 Cu6","formula_reduced":"ZrCu3","formula_anonymous":"AB3","energy":-42.31281754,"energy_per_atom":-5.2891021925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.31281754,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017905,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.553000Z","spacegroup":194},{"id":"mp-1070869","created_at":"2022-09-04T14:44:58.779317Z","structure_string":"Zr1 Cu4 Ag1\n1.0\n0.000000 3.501714 3.501714\n3.501714 0.000000 3.501714\n3.501714 3.501714 0.000000\nZr Cu Ag\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.625542 0.625542 0.123374 Cu\n0.625542 0.123374 0.625542 Cu\n0.123374 0.625542 0.625542 Cu\n0.625542 0.625542 0.625542 Cu\n0.000000 0.000000 0.000000 Ag\n","nsites":6,"nelements":3,"elements":["Zr","Cu","Ag"],"chemical_system":"Ag-Cu-Zr","density":8.764759435710742,"density_atomic":0.06986814891357031,"volume":85.87604070378679,"volume_molar":8.61929341716156,"formula_full":"Zr1 Cu4 Ag1","formula_reduced":"ZrCu4Ag","formula_anonymous":"ABC4","energy":-28.67845835,"energy_per_atom":-4.779743058333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.67845835,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014456,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.944000Z","spacegroup":216},{"id":"mp-30603","created_at":"2022-09-04T14:42:03.140813Z","structure_string":"Zr1 Cu5\n1.0\n0.000000 3.419344 3.419344\n3.419344 0.000000 3.419344\n3.419344 3.419344 0.000000\nZr Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Cu\n0.624486 0.624486 0.126541 Cu\n0.624486 0.126541 0.624486 Cu\n0.126541 0.624486 0.624486 Cu\n0.624486 0.624486 0.624486 Cu\n","nsites":6,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":8.493079274527,"density_atomic":0.07504000776818237,"volume":79.95734779953013,"volume_molar":8.025240054084112,"formula_full":"Zr1 Cu5","formula_reduced":"ZrCu5","formula_anonymous":"AB5","energy":-29.74245217,"energy_per_atom":-4.957075361666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.74245217,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001672,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.625000Z","spacegroup":216},{"id":"mp-1093581","created_at":"2022-09-04T14:41:11.273769Z","structure_string":"Zr1 Cu1 Au2\n1.0\n-5.088655 5.725282 7.951900\n5.088655 -5.725282 7.951900\n5.088655 5.725282 -7.951900\nZr Cu Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.242211 0.242211 Au\n0.000000 0.757789 0.757789 Au\n","nsites":4,"nelements":3,"elements":["Zr","Cu","Au"],"chemical_system":"Au-Cu-Zr","density":0.9832314230612553,"density_atomic":0.004316474699203354,"volume":926.6821373326335,"volume_molar":139.51525676986927,"formula_full":"Zr1 Cu1 Au2","formula_reduced":"ZrCuAu2","formula_anonymous":"ABC2","energy":-12.01629313,"energy_per_atom":-3.0040732825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.01629313,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9368165,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.894000Z","spacegroup":71},{"id":"mp-1100435","created_at":"2022-09-04T14:43:23.834962Z","structure_string":"Zr1 Cu1 B1\n1.0\n0.000000 2.767292 2.767292\n2.767292 0.000000 2.767292\n2.767292 2.767292 0.000000\nZr Cu B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 B\n","nsites":3,"nelements":3,"elements":["Zr","Cu","B"],"chemical_system":"B-Cu-Zr","density":6.487309831529721,"density_atomic":0.07078256497914269,"volume":42.383318559930714,"volume_molar":8.50794367479411,"formula_full":"Zr1 Cu1 B1","formula_reduced":"ZrCuB","formula_anonymous":"ABC","energy":-20.02526878,"energy_per_atom":-6.675089593333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.02526878,"band_gap":0.2591999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012553,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.925000Z","spacegroup":216},{"id":"mp-1100809","created_at":"2022-09-04T14:42:01.885995Z","structure_string":"Zr3 Cu6 Cl18\n1.0\n11.624485 0.086094 -0.052115\n-5.738287 9.529007 -0.055185\n-0.037496 -0.042715 6.138903\nZr Cu Cl\n3 6 18\ndirect\n0.335662 0.670193 0.033850 Zr\n0.000139 0.997589 0.490840 Zr\n0.656443 0.325095 0.974453 Zr\n0.417476 0.837297 0.627875 Cu\n0.102055 0.206711 0.889504 Cu\n0.238013 0.473532 0.409896 Cu\n0.767136 0.534064 0.586489 Cu\n0.900451 0.800558 0.110370 Cu\n0.768165 0.231731 0.573151 Cu\n0.105618 0.894347 0.268420 Cl\n0.226154 0.769826 0.799088 Cl\n0.123547 0.561798 0.247362 Cl\n0.107210 0.218041 0.267013 Cl\n0.223641 0.447308 0.783027 Cl\n0.440972 0.882776 0.267928 Cl\n0.203348 0.101274 0.730860 Cl\n0.437683 0.557859 0.253281 Cl\n0.540874 0.765679 0.804156 Cl\n0.466185 0.230655 0.198931 Cl\n0.565615 0.440653 0.741726 Cl\n0.789380 0.895011 0.268102 Cl\n0.561370 0.115040 0.726704 Cl\n0.779040 0.553540 0.212438 Cl\n0.890232 0.781787 0.731075 Cl\n0.884898 0.444734 0.754098 Cl\n0.771762 0.229424 0.204705 Cl\n0.893229 0.109778 0.719259 Cl\n","nsites":27,"nelements":3,"elements":["Zr","Cu","Cl"],"chemical_system":"Cl-Cu-Zr","density":3.1439408948587486,"density_atomic":0.03953267991585908,"volume":682.9792479909407,"volume_molar":15.233322842816268,"formula_full":"Zr3 Cu6 Cl18","formula_reduced":"Zr(CuCl3)2","formula_anonymous":"AB2C6","energy":-126.33487396,"energy_per_atom":-4.679069405925926,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.28287396,"band_gap":1.6303999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009235,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.200000Z","spacegroup":1}]}