{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=13","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=11","results":[{"id":"mp-1215184","created_at":"2022-09-04T14:44:30.618259Z","structure_string":"Zr1 Ti1 C1 N1\n1.0\n5.260895 -1.590972 0.000000\n5.260895 1.590972 0.000000\n4.779762 0.000000 2.713316\nZr Ti C N\n1 1 1 1\ndirect\n0.250406 0.250406 0.250406 Zr\n0.748699 0.748699 0.748699 Ti\n0.005878 0.005878 0.005878 C\n0.495017 0.495017 0.495017 N\n","nsites":4,"nelements":4,"elements":["Zr","Ti","C","N"],"chemical_system":"C-N-Ti-Zr","density":6.036229235318081,"density_atomic":0.08806583342161826,"volume":45.42056600827088,"volume_molar":6.838226047516964,"formula_full":"Zr1 Ti1 C1 N1","formula_reduced":"ZrTiCN","formula_anonymous":"ABCD","energy":-39.29823825,"energy_per_atom":-9.8245595625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.93723825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012686,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.138000Z","spacegroup":160},{"id":"mp-1215174","created_at":"2022-09-04T14:39:05.996350Z","structure_string":"Zr1 Ti1 C2\n1.0\n3.223510 0.000000 0.000000\n0.000000 3.223510 0.000000\n0.000000 0.000000 4.535506\nZr Ti C\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 C\n","nsites":4,"nelements":3,"elements":["Zr","Ti","C"],"chemical_system":"C-Ti-Zr","density":5.747146739012068,"density_atomic":0.08487429929954113,"volume":47.12851868011388,"volume_molar":7.095364332548379,"formula_full":"Zr1 Ti1 C2","formula_reduced":"ZrTiC2","formula_anonymous":"ABC2","energy":-37.72559379,"energy_per_atom":-9.4313984475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.72559379,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003017,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.928000Z","spacegroup":123},{"id":"mp-1215182","created_at":"2022-09-04T14:42:48.584398Z","structure_string":"Zr1 Ti1 C2\n1.0\n5.297806 -1.609904 0.000000\n5.297806 1.609904 0.000000\n4.808587 0.000000 2.745184\nZr Ti C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ti\n0.244351 0.244351 0.244351 C\n0.755649 0.755649 0.755649 C\n","nsites":4,"nelements":3,"elements":["Zr","Ti","C"],"chemical_system":"C-Ti-Zr","density":5.784137260044348,"density_atomic":0.08542057812204416,"volume":46.82712395466375,"volume_molar":7.049988296023824,"formula_full":"Zr1 Ti1 C2","formula_reduced":"ZrTiC2","formula_anonymous":"ABC2","energy":-37.87276785,"energy_per_atom":-9.4681919625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.87276785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004796,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.825000Z","spacegroup":166},{"id":"mp-1215178","created_at":"2022-09-04T14:40:39.579408Z","structure_string":"Zr1 Ti1 B4\n1.0\n1.553640 -2.690983 0.000000\n1.553640 2.690983 0.000000\n0.000000 0.000000 6.789760\nZr Ti B\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.767022 B\n0.666667 0.333333 0.232978 B\n0.333333 0.666667 0.767022 B\n0.333333 0.666667 0.232978 B\n","nsites":6,"nelements":3,"elements":["Zr","Ti","B"],"chemical_system":"B-Ti-Zr","density":5.33302195479853,"density_atomic":0.1056830851972439,"volume":56.7735128928321,"volume_molar":5.698301434671828,"formula_full":"Zr1 Ti1 B4","formula_reduced":"ZrTiB4","formula_anonymous":"ABC4","energy":-49.17952551,"energy_per_atom":-8.196587585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.17952551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.083000Z","spacegroup":191},{"id":"mp-1093757","created_at":"2022-09-04T14:41:03.187510Z","structure_string":"Zr1 Ti1 Au2\n1.0\n-5.296046 5.846798 8.055105\n5.296046 -5.846798 8.055105\n5.296046 5.846798 -8.055105\nZr Ti Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245980 0.245980 Au\n0.000000 0.754020 0.754020 Au\n","nsites":4,"nelements":3,"elements":["Zr","Ti","Au"],"chemical_system":"Au-Ti-Zr","density":0.8871456724631573,"density_atomic":0.004009211392257248,"volume":997.702442860699,"volume_molar":150.20761368757465,"formula_full":"Zr1 Ti1 Au2","formula_reduced":"ZrTiAu2","formula_anonymous":"ABC2","energy":-13.86448933,"energy_per_atom":-3.4661223325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.86448933,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4231925,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.170000Z","spacegroup":71},{"id":"mp-1215270","created_at":"2022-09-04T14:43:59.121113Z","structure_string":"Zr4 Ti4 Au4\n1.0\n2.798637 -4.703050 0.000000\n2.798637 4.703050 0.000000\n0.000000 0.000000 8.764112\nZr Ti Au\n4 4 4\ndirect\n0.677026 0.322974 0.312304 Zr\n0.337464 0.662536 0.183036 Zr\n0.337464 0.662536 0.816964 Zr\n0.677026 0.322974 0.687696 Zr\n0.159082 0.840918 0.500000 Ti\n0.346477 0.173050 0.000000 Ti\n0.826950 0.653523 0.000000 Ti\n0.819695 0.180305 0.000000 Ti\n0.006167 0.993833 0.243002 Au\n0.006167 0.993833 0.756998 Au\n0.645714 0.839209 0.500000 Au\n0.160791 0.354286 0.500000 Au\n","nsites":12,"nelements":3,"elements":["Zr","Ti","Au"],"chemical_system":"Au-Ti-Zr","density":9.67517186084984,"density_atomic":0.05201363000102291,"volume":230.70875844973722,"volume_molar":11.578005149576306,"formula_full":"Zr4 Ti4 Au4","formula_reduced":"ZrTiAu","formula_anonymous":"ABC","energy":-82.718518,"energy_per_atom":-6.893209833333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.718518,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003063,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.508000Z","spacegroup":38},{"id":"mp-30147","created_at":"2022-09-04T14:48:08.741515Z","structure_string":"Zr2 Ti2 As2\n1.0\n-1.895197 1.895197 7.475830\n1.895197 -1.895197 7.475830\n1.895197 1.895197 -7.475830\nZr Ti As\n2 2 2\ndirect\n0.679579 0.679579 0.000000 Zr\n0.320421 0.320421 0.000000 Zr\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.128780 0.128780 0.000000 As\n0.871220 0.871220 0.000000 As\n","nsites":6,"nelements":3,"elements":["Zr","Ti","As"],"chemical_system":"As-Ti-Zr","density":6.617444498932839,"density_atomic":0.05586285423077839,"volume":107.40589757932955,"volume_molar":10.780223894614432,"formula_full":"Zr2 Ti2 As2","formula_reduced":"ZrTiAs","formula_anonymous":"ABC","energy":-48.10582633,"energy_per_atom":-8.017637721666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.10582633,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.61e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:30.202000Z","spacegroup":139},{"id":"mp-1215414","created_at":"2022-09-04T14:45:19.977200Z","structure_string":"Zr1 Ti4 Pb5 O15\n1.0\n2.787381 -13.952911 0.000000\n2.787381 13.952911 0.000000\n0.000000 0.000000 4.480422\nZr Ti Pb O\n1 4 5 15\ndirect\n0.500000 0.500000 0.535843 Zr\n0.102554 0.897446 0.529719 Ti\n0.897446 0.102554 0.529719 Ti\n0.299001 0.700999 0.529068 Ti\n0.700999 0.299001 0.529068 Ti\n0.603504 0.396496 0.978759 Pb\n0.000000 0.000000 0.978597 Pb\n0.396496 0.603504 0.978759 Pb\n0.799293 0.200707 0.977278 Pb\n0.200707 0.799293 0.977278 Pb\n0.402706 0.099197 0.629448 O\n0.597294 0.900803 0.629448 O\n0.000000 0.500000 0.626002 O\n0.812801 0.706526 0.628195 O\n0.187199 0.293474 0.628195 O\n0.500000 0.000000 0.626002 O\n0.706526 0.812801 0.628195 O\n0.099197 0.402706 0.629448 O\n0.900803 0.597294 0.629448 O\n0.293474 0.187199 0.628195 O\n0.700276 0.299724 0.135481 O\n0.896674 0.103326 0.136297 O\n0.299724 0.700276 0.135481 O\n0.103326 0.896674 0.136297 O\n0.500000 0.500000 0.091283 O\n","nsites":25,"nelements":4,"elements":["Zr","Ti","Pb","O"],"chemical_system":"O-Pb-Ti-Zr","density":7.426716057754098,"density_atomic":0.07173480672433616,"volume":348.5058528988649,"volume_molar":8.395005207363274,"formula_full":"Zr1 Ti4 Pb5 O15","formula_reduced":"ZrTi4(PbO3)5","formula_anonymous":"AB4C5D15","energy":-201.41651119,"energy_per_atom":-8.0566604476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.11151119,"band_gap":2.0719000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020253,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.154000Z","spacegroup":35},{"id":"mp-1215228","created_at":"2022-09-04T14:45:10.810496Z","structure_string":"Zr1 Ti4 Be5\n1.0\n2.981416 0.000000 0.000000\n0.000000 2.981416 0.000000\n0.000000 0.000000 14.873371\nZr Ti Be\n1 4 5\ndirect\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.209084 Ti\n0.500000 0.500000 0.403541 Ti\n0.500000 0.500000 0.596459 Ti\n0.500000 0.500000 0.790916 Ti\n0.000000 0.000000 0.883697 Be\n0.000000 0.000000 0.116303 Be\n0.000000 0.000000 0.306286 Be\n0.000000 0.000000 0.500000 Be\n0.000000 0.000000 0.693714 Be\n","nsites":10,"nelements":3,"elements":["Zr","Ti","Be"],"chemical_system":"Be-Ti-Zr","density":4.11662291399027,"density_atomic":0.07563893987228971,"volume":132.20703538262433,"volume_molar":7.961693765364642,"formula_full":"Zr1 Ti4 Be5","formula_reduced":"ZrTi4Be5","formula_anonymous":"AB4C5","energy":-60.06607388,"energy_per_atom":-6.006607388,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.06607388,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006561,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.965000Z","spacegroup":123},{"id":"mp-1216497","created_at":"2022-09-04T14:40:11.346836Z","structure_string":"Zr1 Ti3 P8 O36\n1.0\n5.281173 0.000000 0.000000\n-0.073787 8.628525 0.000000\n-0.129215 -3.990029 15.536673\nZr Ti P O\n1 3 8 36\ndirect\n0.212662 0.262355 0.046479 Zr\n0.755271 0.226030 0.471616 Ti\n0.762876 0.750861 0.960288 Ti\n0.277202 0.744643 0.530177 Ti\n0.285346 0.672626 0.084413 P\n0.785722 0.834777 0.415309 P\n0.697324 0.360825 0.921831 P\n0.251443 0.145434 0.592382 P\n0.723496 0.088412 0.113622 P\n0.252108 0.379587 0.390519 P\n0.258036 0.896779 0.883834 P\n0.767744 0.611105 0.605850 P\n0.064953 0.732178 0.040962 O\n0.582393 0.755141 0.456120 O\n0.890333 0.289734 0.971296 O\n0.470524 0.203245 0.543860 O\n0.670238 0.996387 0.188423 O\n0.241292 0.426457 0.305087 O\n0.269840 0.945171 0.798871 O\n0.796572 0.582119 0.711293 O\n0.372686 0.954842 0.182537 O\n0.877483 0.596277 0.274775 O\n0.590834 0.116573 0.779455 O\n0.005640 0.516910 0.728410 O\n0.730452 0.965948 0.026256 O\n0.243064 0.529929 0.468516 O\n0.256273 0.042164 0.963217 O\n0.790149 0.448185 0.546568 O\n0.328910 0.796005 0.184952 O\n0.761440 0.730589 0.302890 O\n0.724584 0.243773 0.812617 O\n0.243829 0.239229 0.685845 O\n0.542520 0.677277 0.043166 O\n0.053125 0.803905 0.439240 O\n0.428181 0.340320 0.947084 O\n0.996386 0.157343 0.545125 O\n0.230974 0.511904 0.106070 O\n0.722709 0.998642 0.403720 O\n0.778228 0.516039 0.902172 O\n0.299334 0.963759 0.584058 O\n0.515799 0.212086 0.114922 O\n0.024160 0.271464 0.401856 O\n0.483135 0.785461 0.893954 O\n0.983257 0.726281 0.601685 O\n0.980204 0.174417 0.132143 O\n0.503235 0.291611 0.396932 O\n0.009447 0.798403 0.884234 O\n0.508590 0.686798 0.615373 O\n","nsites":48,"nelements":4,"elements":["Zr","Ti","P","O"],"chemical_system":"O-P-Ti-Zr","density":2.482866321155815,"density_atomic":0.06779790219046274,"volume":707.986507682125,"volume_molar":8.882488344672039,"formula_full":"Zr1 Ti3 P8 O36","formula_reduced":"ZrTi3(P2O9)4","formula_anonymous":"AB3C8D36","energy":-350.11331741,"energy_per_atom":-7.2940274460416665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-344.31731741,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4906442,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.481000Z","spacegroup":1},{"id":"mp-1215208","created_at":"2022-09-04T14:48:08.346798Z","structure_string":"Zr1 Ti3 As2\n1.0\n-1.870256 1.870256 7.310160\n1.870256 -1.870256 7.310160\n1.870256 1.870256 -7.310160\nZr Ti As\n1 3 2\ndirect\n0.681096 0.681096 0.000000 Zr\n0.998009 0.498009 0.500000 Ti\n0.498009 0.998009 0.500000 Ti\n0.323118 0.323118 0.000000 Ti\n0.867475 0.867475 0.000000 As\n0.132294 0.132294 0.000000 As\n","nsites":6,"nelements":3,"elements":["Zr","Ti","As"],"chemical_system":"As-Ti-Zr","density":6.245200637996397,"density_atomic":0.05866272906799128,"volume":102.27959209067616,"volume_molar":10.265701674090577,"formula_full":"Zr1 Ti3 As2","formula_reduced":"ZrTi3As2","formula_anonymous":"AB2C3","energy":-46.91317527,"energy_per_atom":-7.818862545000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.91317527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001475,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.169000Z","spacegroup":107},{"id":"mp-1183046","created_at":"2022-09-04T14:39:18.777927Z","structure_string":"Zr2 Ti6\n1.0\n3.033353 -5.253922 0.000000\n3.033353 5.253922 0.000000\n0.000000 0.000000 4.763093\nZr Ti\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.160294 0.320588 0.250000 Ti\n0.679412 0.839706 0.250000 Ti\n0.160294 0.839706 0.250000 Ti\n0.839706 0.679412 0.750000 Ti\n0.320588 0.160294 0.750000 Ti\n0.839706 0.160294 0.750000 Ti\n","nsites":8,"nelements":2,"elements":["Zr","Ti"],"chemical_system":"Ti-Zr","density":5.1368607488850575,"density_atomic":0.0526943868923586,"volume":151.81882685801034,"volume_molar":11.428429316962584,"formula_full":"Zr2 Ti6","formula_reduced":"ZrTi3","formula_anonymous":"AB3","energy":-64.21833006,"energy_per_atom":-8.0272912575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.21833006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0053834,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.288000Z","spacegroup":194}]}