{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=39","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=37","results":[{"id":"mp-328","created_at":"2022-09-04T14:44:26.994264Z","structure_string":"Zr4 Ni2\n1.0\n-3.253249 3.253249 2.631285\n3.253249 -3.253249 2.631285\n3.253249 3.253249 -2.631285\nZr Ni\n4 2\ndirect\n0.163060 0.663060 0.826120 Zr\n0.836940 0.336940 0.173880 Zr\n0.336940 0.163060 0.500000 Zr\n0.663060 0.836940 0.500000 Zr\n0.250000 0.250000 0.000000 Ni\n0.750000 0.750000 0.000000 Ni\n","nsites":6,"nelements":2,"elements":["Zr","Ni"],"chemical_system":"Ni-Zr","density":7.189329355994663,"density_atomic":0.05386277930719722,"volume":111.39417752247834,"volume_molar":11.180523614746544,"formula_full":"Zr4 Ni2","formula_reduced":"Zr2Ni","formula_anonymous":"AB2","energy":-47.68946569,"energy_per_atom":-7.948244281666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.68946569,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026941,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.618000Z","spacegroup":140},{"id":"mp-1188069","created_at":"2022-09-04T14:44:23.040122Z","structure_string":"Zr4 Ni14\n1.0\n4.098408 2.338380 0.000000\n-4.098408 2.338380 0.000000\n0.000000 1.193547 12.057346\nZr Ni\n4 14\ndirect\n0.732849 0.732849 0.886443 Zr\n0.790778 0.790778 0.614726 Zr\n0.209222 0.209222 0.385274 Zr\n0.267151 0.267151 0.113557 Zr\n0.381707 0.052309 0.921949 Ni\n0.052309 0.381707 0.921949 Ni\n0.269532 0.765178 0.750204 Ni\n0.765178 0.269532 0.750204 Ni\n0.261024 0.261024 0.749595 Ni\n0.138819 0.471862 0.578034 Ni\n0.471862 0.138819 0.578034 Ni\n0.861181 0.528138 0.421966 Ni\n0.528138 0.861181 0.421966 Ni\n0.738976 0.738976 0.250405 Ni\n0.730468 0.234822 0.249796 Ni\n0.234822 0.730468 0.249796 Ni\n0.618293 0.947691 0.078051 Ni\n0.947691 0.618293 0.078051 Ni\n","nsites":18,"nelements":2,"elements":["Zr","Ni"],"chemical_system":"Ni-Zr","density":8.52594960358833,"density_atomic":0.07788619852307345,"volume":231.1064134766775,"volume_molar":7.731974180529516,"formula_full":"Zr4 Ni14","formula_reduced":"Zr2Ni7","formula_anonymous":"A2B7","energy":-122.73574843,"energy_per_atom":-6.818652690555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.73574843,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015249,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.562000Z","spacegroup":12},{"id":"mp-1215281","created_at":"2022-09-04T14:40:57.587833Z","structure_string":"Zr4 Nb4 V4\n1.0\n-2.672758 -4.702081 0.000000\n-5.407571 0.035826 0.000000\n0.000000 0.000000 -8.695859\nZr Nb V\n4 4 4\ndirect\n0.333148 0.333156 0.557371 Zr\n0.667309 0.667310 0.429577 Zr\n0.667309 0.667310 0.070423 Zr\n0.333148 0.333156 0.942629 Zr\n0.997614 0.997541 0.487237 Nb\n0.997614 0.997541 0.012763 Nb\n0.829202 0.344426 0.750000 Nb\n0.344448 0.829196 0.750000 Nb\n0.830765 0.830789 0.750000 V\n0.176754 0.646372 0.250000 V\n0.646335 0.176801 0.250000 V\n0.176355 0.176401 0.250000 V\n","nsites":12,"nelements":3,"elements":["Zr","Nb","V"],"chemical_system":"Nb-V-Zr","density":7.0351363304637005,"density_atomic":0.054068459310169216,"volume":221.94085337554708,"volume_molar":11.137992161850548,"formula_full":"Zr4 Nb4 V4","formula_reduced":"ZrNbV","formula_anonymous":"ABC","energy":-110.67282677,"energy_per_atom":-9.222735564166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.67282677,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0907651,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.106000Z","spacegroup":38},{"id":"mp-1215262","created_at":"2022-09-04T14:40:40.412099Z","structure_string":"Zr4 Nb4 Si4\n1.0\n-2.751887 -4.769837 0.000000\n-2.754936 4.771596 0.000000\n0.000000 0.000000 -8.367610\nZr Nb Si\n4 4 4\ndirect\n0.666336 0.333106 0.551335 Zr\n0.328393 0.664207 0.437928 Zr\n0.328393 0.664207 0.062072 Zr\n0.666336 0.333106 0.948665 Zr\n0.000559 0.000300 0.475733 Nb\n0.000559 0.000300 0.024267 Nb\n0.167659 0.336770 0.750000 Nb\n0.167690 0.830876 0.750000 Nb\n0.667257 0.833622 0.750000 Si\n0.815727 0.629276 0.250000 Si\n0.815719 0.186513 0.250000 Si\n0.375373 0.187719 0.250000 Si\n","nsites":12,"nelements":3,"elements":["Zr","Nb","Si"],"chemical_system":"Nb-Si-Zr","density":6.412108384364851,"density_atomic":0.05458774235796921,"volume":219.82957128557877,"volume_molar":11.03203851243508,"formula_full":"Zr4 Nb4 Si4","formula_reduced":"ZrNbSi","formula_anonymous":"ABC","energy":-100.7737071,"energy_per_atom":-8.397808925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.0577071,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0098509,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.332000Z","spacegroup":38},{"id":"mp-4500","created_at":"2022-09-04T14:47:42.194366Z","structure_string":"Zr4 Nb4 P4\n1.0\n3.596138 0.000000 0.000000\n0.000000 6.912419 0.000000\n0.000000 0.000000 8.337336\nZr Nb P\n4 4 4\ndirect\n0.250000 0.534165 0.831220 Zr\n0.750000 0.965835 0.331220 Zr\n0.250000 0.034165 0.668780 Zr\n0.750000 0.465835 0.168780 Zr\n0.250000 0.139230 0.059638 Nb\n0.750000 0.860770 0.940362 Nb\n0.250000 0.639230 0.440362 Nb\n0.750000 0.360770 0.559638 Nb\n0.750000 0.738812 0.642425 P\n0.250000 0.761188 0.142425 P\n0.750000 0.238812 0.857575 P\n0.250000 0.261188 0.357575 P\n","nsites":12,"nelements":3,"elements":["Zr","Nb","P"],"chemical_system":"Nb-P-Zr","density":6.893886885790032,"density_atomic":0.057901196375975836,"volume":207.24960365376833,"volume_molar":10.40071904714336,"formula_full":"Zr4 Nb4 P4","formula_reduced":"ZrNbP","formula_anonymous":"ABC","energy":-109.20132913,"energy_per_atom":-9.100110760833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.20132913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002778,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.701000Z","spacegroup":62},{"id":"mp-727394","created_at":"2022-09-04T14:48:01.484974Z","structure_string":"Zr4 N8 O36\n1.0\n8.164496 0.000000 0.000000\n0.498064 -9.297571 0.000000\n2.798604 -1.643463 -10.241495\nZr N O\n4 8 36\ndirect\n0.020958 0.950270 0.136098 Zr\n0.979042 0.049730 0.863902 Zr\n0.599449 0.130747 0.411074 Zr\n0.400551 0.869253 0.588926 Zr\n0.340371 0.860144 0.124755 N\n0.659629 0.139856 0.875245 N\n0.851644 0.658625 0.340220 N\n0.148356 0.341375 0.659780 N\n0.592681 0.339331 0.189835 N\n0.407319 0.660669 0.810165 N\n0.605513 0.333169 0.568745 N\n0.394487 0.666831 0.431255 N\n0.814385 0.644872 0.870926 O\n0.185615 0.355128 0.129074 O\n0.862528 0.765763 0.670580 O\n0.137472 0.234237 0.329420 O\n0.931397 0.880653 0.994608 O\n0.068603 0.119347 0.005392 O\n0.873431 0.052785 0.307474 O\n0.126569 0.947215 0.692526 O\n0.760712 0.997226 0.249243 O\n0.239288 0.002774 0.750757 O\n0.626774 0.963176 0.546444 O\n0.373226 0.036824 0.453556 O\n0.260782 0.949177 0.203079 O\n0.739218 0.050823 0.796921 O\n0.237247 0.797393 0.074374 O\n0.762753 0.202607 0.925626 O\n0.492084 0.839861 0.098921 O\n0.507916 0.160139 0.901079 O\n0.926566 0.733902 0.389473 O\n0.073434 0.266098 0.610527 O\n0.836028 0.667201 0.230593 O\n0.163972 0.332799 0.769407 O\n0.151696 0.357232 0.252078 O\n0.848304 0.642768 0.747922 O\n0.707664 0.337712 0.254047 O\n0.292336 0.662288 0.745953 O\n0.496662 0.225389 0.225886 O\n0.503338 0.774611 0.774114 O\n0.574230 0.439377 0.105553 O\n0.425770 0.560623 0.894447 O\n0.744969 0.281352 0.504123 O\n0.255031 0.718648 0.495877 O\n0.468929 0.279278 0.549711 O\n0.531071 0.720722 0.450289 O\n0.596138 0.422084 0.640998 O\n0.403862 0.577916 0.359002 O\n","nsites":48,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":2.248979676747488,"density_atomic":0.061741758681770044,"volume":777.4316933115244,"volume_molar":9.753756434181565,"formula_full":"Zr4 N8 O36","formula_reduced":"ZrN2O9","formula_anonymous":"AB2C9","energy":-315.6941938,"energy_per_atom":-6.576962370833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.6941938,"band_gap":0.1844000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.007705,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.730000Z","spacegroup":2},{"id":"mp-1204890","created_at":"2022-09-04T14:43:20.421540Z","structure_string":"Zr4 N8 O36\n1.0\n-0.276054 -0.462663 -8.201693\n9.316321 0.017428 -1.123837\n-1.196469 -9.873304 2.961652\nZr N O\n4 8 36\ndirect\n0.989742 0.100110 0.140532 Zr\n0.010258 0.899890 0.859468 Zr\n0.401017 0.868359 0.410208 Zr\n0.598983 0.131641 0.589792 Zr\n0.654658 0.140240 0.117804 N\n0.345342 0.859760 0.882196 N\n0.050830 0.359815 0.293060 N\n0.949170 0.640185 0.706940 N\n0.414120 0.656515 0.193376 N\n0.585880 0.343485 0.806624 N\n0.398915 0.670305 0.572581 N\n0.601085 0.329695 0.427419 N\n0.169787 0.245926 0.866230 O\n0.830213 0.754074 0.133770 O\n0.192772 0.203205 0.663030 O\n0.807228 0.796795 0.336970 O\n0.051321 0.103884 0.959977 O\n0.948679 0.896116 0.040023 O\n0.136680 0.961751 0.302392 O\n0.863320 0.038249 0.697608 O\n0.253547 0.011444 0.247874 O\n0.746453 0.988556 0.752126 O\n0.374385 0.040544 0.548785 O\n0.625615 0.959456 0.451215 O\n0.745436 0.058880 0.199410 O\n0.254564 0.941120 0.800590 O\n0.743115 0.203474 0.053625 O\n0.256885 0.796526 0.946375 O\n0.503759 0.157203 0.100299 O\n0.496241 0.842797 0.899701 O\n0.996196 0.250367 0.333153 O\n0.003804 0.749633 0.666847 O\n0.093651 0.325950 0.178461 O\n0.906349 0.674050 0.821539 O\n0.057229 0.479355 0.355863 O\n0.942771 0.520645 0.644137 O\n0.291466 0.674791 0.255084 O\n0.708534 0.325209 0.744916 O\n0.518259 0.762900 0.235055 O\n0.481741 0.237100 0.764945 O\n0.432376 0.557325 0.109647 O\n0.567624 0.442675 0.890353 O\n0.265857 0.743927 0.521511 O\n0.734143 0.256073 0.478489 O\n0.534010 0.703293 0.537341 O\n0.465990 0.296707 0.462659 O\n0.401328 0.581282 0.646020 O\n0.598672 0.418718 0.353980 O\n","nsites":48,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":2.272348402959615,"density_atomic":0.06238330572170424,"volume":769.4366216200685,"volume_molar":9.653449252697733,"formula_full":"Zr4 N8 O36","formula_reduced":"ZrN2O9","formula_anonymous":"AB2C9","energy":-316.6001835,"energy_per_atom":-6.59583715625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.8041835,"band_gap":0.3050000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":11.996905,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.305000Z","spacegroup":2},{"id":"mp-776250","created_at":"2022-09-04T14:47:20.002763Z","structure_string":"Zr4 N4 O2\n1.0\n3.488929 0.000000 0.000000\n-0.003420 4.351497 0.000000\n-0.042753 -1.629953 8.629424\nZr N O\n4 4 2\ndirect\n0.737741 0.291871 0.106740 Zr\n0.754229 0.119668 0.670977 Zr\n0.245771 0.880332 0.329023 Zr\n0.262259 0.708129 0.893260 Zr\n0.243733 0.331809 0.248476 N\n0.263948 0.213709 0.899856 N\n0.736052 0.786291 0.100144 N\n0.756267 0.668191 0.751524 N\n0.748276 0.811576 0.437762 O\n0.251724 0.188424 0.562238 O\n","nsites":10,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":5.7406292831425,"density_atomic":0.07632861317722314,"volume":131.012468113125,"volume_molar":7.889755242922505,"formula_full":"Zr4 N4 O2","formula_reduced":"Zr2N2O","formula_anonymous":"AB2C2","energy":-99.8876865,"energy_per_atom":-9.98876865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.0696865,"band_gap":0.8702999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021334,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.364000Z","spacegroup":2},{"id":"mp-1101159","created_at":"2022-09-04T14:45:09.245898Z","structure_string":"Zr4 N4 O2\n1.0\n2.809557 4.768967 0.000000\n-2.809557 4.768967 0.000000\n0.000000 3.262420 4.948297\nZr N O\n4 4 2\ndirect\n0.865652 0.330097 0.425920 Zr\n0.330097 0.865652 0.925920 Zr\n0.627293 0.149360 0.073992 Zr\n0.149360 0.627293 0.573992 Zr\n0.052303 0.959294 0.735366 N\n0.959294 0.052303 0.235366 N\n0.255627 0.454515 0.253283 N\n0.454515 0.255627 0.753283 N\n0.557413 0.748446 0.261440 O\n0.748446 0.557413 0.761440 O\n","nsites":10,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":5.671843140711644,"density_atomic":0.07541401817402794,"volume":132.60134179462048,"volume_molar":7.9854394525207555,"formula_full":"Zr4 N4 O2","formula_reduced":"Zr2N2O","formula_anonymous":"AB2C2","energy":-100.0316785,"energy_per_atom":-10.00316785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.2136785,"band_gap":2.0306,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001167,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.180000Z","spacegroup":9},{"id":"mp-1207386","created_at":"2022-09-04T14:42:42.164802Z","structure_string":"Zr4 N4 F4\n1.0\n5.372457 0.000000 0.000000\n0.000000 5.440385 0.000000\n0.000000 0.919332 5.375960\nZr N F\n4 4 4\ndirect\n0.478629 0.679328 0.715859 Zr\n0.521371 0.320672 0.284141 Zr\n0.978629 0.320672 0.784141 Zr\n0.021371 0.679328 0.215859 Zr\n0.247190 0.462077 0.509153 N\n0.752810 0.537923 0.490847 N\n0.747190 0.537923 0.990847 N\n0.252810 0.462077 0.009153 N\n0.171469 0.950679 0.841458 F\n0.828531 0.049321 0.158542 F\n0.671469 0.049321 0.658542 F\n0.328531 0.950679 0.341458 F\n","nsites":12,"nelements":3,"elements":["Zr","N","F"],"chemical_system":"F-N-Zr","density":5.251384615409811,"density_atomic":0.07636997257940069,"volume":157.12981941330128,"volume_molar":7.885482417502341,"formula_full":"Zr4 N4 F4","formula_reduced":"ZrNF","formula_anonymous":"ABC","energy":-108.14216249,"energy_per_atom":-9.011846874166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.85016249,"band_gap":2.0644000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.76e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.100000Z","spacegroup":14},{"id":"mp-732208","created_at":"2022-09-04T14:43:15.911861Z","structure_string":"Zr4 N4 F20\n1.0\n8.517332 0.000000 0.000000\n0.000000 8.091524 0.000000\n0.000000 4.326891 7.347203\nZr N F\n4 4 20\ndirect\n0.760266 0.499393 0.746423 Zr\n0.260266 0.500607 0.753577 Zr\n0.239734 0.500607 0.253577 Zr\n0.739734 0.499393 0.246423 Zr\n0.508962 0.013322 0.240691 N\n0.008962 0.986678 0.259309 N\n0.491038 0.986678 0.759309 N\n0.991038 0.013322 0.740691 N\n0.736123 0.774072 0.645735 F\n0.236123 0.225928 0.854265 F\n0.263877 0.225928 0.354265 F\n0.763877 0.774072 0.145735 F\n0.735239 0.224848 0.910001 F\n0.235239 0.775152 0.589999 F\n0.264761 0.775152 0.089999 F\n0.764761 0.224848 0.410001 F\n0.747698 0.499426 0.004693 F\n0.247698 0.500574 0.495307 F\n0.252302 0.500574 0.995307 F\n0.752302 0.499426 0.504693 F\n0.496092 0.498763 0.249104 F\n0.996092 0.501237 0.250896 F\n0.503908 0.501237 0.750896 F\n0.003908 0.498763 0.749104 F\n0.500068 0.821017 0.345640 F\n0.000068 0.178983 0.154360 F\n0.499932 0.178983 0.654360 F\n0.999932 0.821017 0.845640 F\n","nsites":28,"nelements":3,"elements":["Zr","N","F"],"chemical_system":"F-N-Zr","density":2.626434018854293,"density_atomic":0.0552970660666759,"volume":506.35597856563055,"volume_molar":10.890524919963465,"formula_full":"Zr4 N4 F20","formula_reduced":"ZrNF5","formula_anonymous":"ABC5","energy":-176.15092458,"energy_per_atom":-6.291104449285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.91092458,"band_gap":1.972,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0075946,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.493000Z","spacegroup":14},{"id":"mp-1014265","created_at":"2022-09-04T14:42:59.917705Z","structure_string":"Zr4 N2\n1.0\n5.437125 0.000000 0.000000\n0.000000 5.437125 0.000000\n0.000000 0.000000 3.321494\nZr N\n4 2\ndirect\n0.295620 0.295620 0.000000 Zr\n0.704380 0.704380 0.000000 Zr\n0.204380 0.795620 0.500000 Zr\n0.795620 0.204380 0.500000 Zr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n","nsites":6,"nelements":2,"elements":["Zr","N"],"chemical_system":"N-Zr","density":6.644608678144619,"density_atomic":0.06110533690779505,"volume":98.19109596030384,"volume_molar":9.855343354193618,"formula_full":"Zr4 N2","formula_reduced":"Zr2N","formula_anonymous":"AB2","energy":-58.87365346,"energy_per_atom":-9.812275576666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.15165346,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002801,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.327000Z","spacegroup":136}]}