{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=84","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=82","results":[{"id":"mp-30790","created_at":"2022-09-04T14:41:53.779346Z","structure_string":"Zr2 Mo6\n1.0\n5.206060 0.000000 0.000000\n0.000000 5.206060 0.000000\n0.000000 0.000000 5.206060\nZr Mo\n2 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.750000 0.000000 0.500000 Mo\n0.250000 0.000000 0.500000 Mo\n","nsites":8,"nelements":2,"elements":["Zr","Mo"],"chemical_system":"Mo-Zr","density":8.921568459941396,"density_atomic":0.0566973133296508,"volume":141.100160310705,"volume_molar":10.621562833120386,"formula_full":"Zr2 Mo6","formula_reduced":"ZrMo3","formula_anonymous":"AB3","energy":-80.34811938,"energy_per_atom":-10.0435149225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.34811938,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.17e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.014000Z","spacegroup":223},{"id":"mp-560057","created_at":"2022-09-04T14:41:57.925564Z","structure_string":"Zr2 Mo4 Se16 Cl28 O4\n1.0\n7.404163 0.000000 0.000000\n0.000000 13.910888 0.000000\n0.000000 3.875450 15.212370\nZr Mo Se Cl O\n2 4 16 28 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.308445 0.553598 0.902032 Mo\n0.808445 0.446402 0.597968 Mo\n0.691555 0.446402 0.097968 Mo\n0.191555 0.553598 0.402032 Mo\n0.616050 0.153614 0.785105 Se\n0.383950 0.846386 0.214895 Se\n0.493153 0.258926 0.865178 Se\n0.253252 0.291232 0.269223 Se\n0.246748 0.291232 0.769223 Se\n0.506847 0.741074 0.134822 Se\n0.753252 0.708768 0.230777 Se\n0.868089 0.816581 0.810086 Se\n0.746748 0.708768 0.730777 Se\n0.631911 0.816581 0.310086 Se\n0.368089 0.183419 0.689914 Se\n0.993153 0.741074 0.634822 Se\n0.131911 0.183419 0.189914 Se\n0.116050 0.846386 0.714895 Se\n0.006847 0.258926 0.365178 Se\n0.883950 0.153614 0.285105 Se\n0.889325 0.453081 0.741317 Cl\n0.340108 0.531954 0.060404 Cl\n0.776433 0.620482 0.068065 Cl\n0.276433 0.379518 0.431935 Cl\n0.379267 0.975734 0.357322 Cl\n0.223567 0.379518 0.931935 Cl\n0.114326 0.830118 0.079004 Cl\n0.971980 0.290692 0.621904 Cl\n0.712491 0.926615 0.969995 Cl\n0.385674 0.830118 0.579004 Cl\n0.840108 0.468046 0.439596 Cl\n0.885674 0.169882 0.920996 Cl\n0.287509 0.073385 0.030005 Cl\n0.723567 0.620482 0.568065 Cl\n0.120733 0.975734 0.857322 Cl\n0.614326 0.169882 0.420996 Cl\n0.620733 0.024266 0.642678 Cl\n0.879267 0.024266 0.142678 Cl\n0.787509 0.926615 0.469995 Cl\n0.028020 0.709308 0.378096 Cl\n0.610675 0.453081 0.241317 Cl\n0.212491 0.073385 0.530005 Cl\n0.471980 0.709308 0.878096 Cl\n0.110675 0.546919 0.258683 Cl\n0.159892 0.531954 0.560404 Cl\n0.389325 0.546919 0.758683 Cl\n0.528020 0.290692 0.121904 Cl\n0.659892 0.468046 0.939596 Cl\n0.902902 0.398227 0.111068 O\n0.402902 0.601773 0.388932 O\n0.097098 0.601773 0.888932 O\n0.597098 0.398227 0.611068 O\n","nsites":54,"nelements":5,"elements":["Zr","Mo","Se","Cl","O"],"chemical_system":"Cl-Mo-O-Se-Zr","density":3.0588295583332603,"density_atomic":0.03446402961978255,"volume":1566.8510210716533,"volume_molar":17.473698886746707,"formula_full":"Zr2 Mo4 Se16 Cl28 O4","formula_reduced":"ZrMo2Se8(Cl7O)2","formula_anonymous":"AB2C2D8E14","energy":-248.34982257000004,"energy_per_atom":-4.599070788333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.60182257,"band_gap":0.8739,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.1578848,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.247000Z","spacegroup":14},{"id":"mp-636731","created_at":"2022-09-04T14:47:25.469321Z","structure_string":"Zr2 Mo4 O16\n1.0\n6.003316 0.000000 0.000000\n0.000000 7.436438 0.000000\n0.000000 0.000000 9.333980\nZr Mo O\n2 4 16\ndirect\n0.000000 0.737896 0.000697 Zr\n0.500000 0.262104 0.500697 Zr\n0.000000 0.576359 0.400325 Mo\n0.000000 0.045301 0.677438 Mo\n0.500000 0.954699 0.177438 Mo\n0.500000 0.423641 0.900325 Mo\n0.000000 0.846428 0.795526 O\n0.000000 0.221576 0.796772 O\n0.255856 0.554922 0.948687 O\n0.500000 0.221712 0.993720 O\n0.755856 0.445078 0.448687 O\n0.000000 0.778288 0.493720 O\n0.244144 0.445078 0.448687 O\n0.254877 0.082615 0.574295 O\n0.245123 0.917385 0.074295 O\n0.745123 0.082615 0.574295 O\n0.500000 0.778424 0.296772 O\n0.500000 0.153572 0.295526 O\n0.500000 0.380089 0.709956 O\n0.000000 0.619911 0.209956 O\n0.754877 0.917385 0.074295 O\n0.744144 0.554922 0.948687 O\n","nsites":22,"nelements":3,"elements":["Zr","Mo","O"],"chemical_system":"Mo-O-Zr","density":3.2764435749667298,"density_atomic":0.052795833337093666,"volume":416.6995501242157,"volume_molar":11.406469752166831,"formula_full":"Zr2 Mo4 O16","formula_reduced":"Zr(MoO4)2","formula_anonymous":"AB2C8","energy":-193.88740737,"energy_per_atom":-8.813063971363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.08740737,"band_gap":3.1318,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006448,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.141000Z","spacegroup":31},{"id":"mp-559825","created_at":"2022-09-04T14:42:16.466170Z","structure_string":"Zr2 Mo4 O16\n1.0\n4.037964 5.817263 0.000000\n-4.037964 5.817263 0.000000\n0.000000 4.084475 6.426929\nZr Mo O\n2 4 16\ndirect\n0.978995 0.021005 0.750000 Zr\n0.021005 0.978995 0.250000 Zr\n0.494744 0.936528 0.740703 Mo\n0.063472 0.505256 0.759297 Mo\n0.505256 0.063472 0.259297 Mo\n0.936528 0.494744 0.240703 Mo\n0.666896 0.590799 0.332145 O\n0.652112 0.050525 0.788816 O\n0.792674 0.021940 0.078047 O\n0.050525 0.652112 0.288816 O\n0.316795 0.990603 0.562384 O\n0.021940 0.792674 0.578047 O\n0.409201 0.333104 0.167855 O\n0.009397 0.683205 0.937616 O\n0.978060 0.207326 0.421953 O\n0.990603 0.316795 0.062384 O\n0.347888 0.949475 0.211184 O\n0.207326 0.978060 0.921953 O\n0.949475 0.347888 0.711184 O\n0.590799 0.666896 0.832145 O\n0.683205 0.009397 0.437616 O\n0.333104 0.409201 0.667855 O\n","nsites":22,"nelements":3,"elements":["Zr","Mo","O"],"chemical_system":"Mo-O-Zr","density":4.521797250141722,"density_atomic":0.07286316658300303,"volume":301.93582068572897,"volume_molar":8.265000057525363,"formula_full":"Zr2 Mo4 O16","formula_reduced":"Zr(MoO4)2","formula_anonymous":"AB2C8","energy":-193.37066244,"energy_per_atom":-8.789575565454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.57066244,"band_gap":2.942,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009598,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.849000Z","spacegroup":15},{"id":"mp-2049","created_at":"2022-09-04T14:40:57.439426Z","structure_string":"Zr2 Mo4\n1.0\n0.000000 3.814490 3.814490\n3.814490 0.000000 3.814490\n3.814490 3.814490 0.000000\nZr Mo\n2 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Zr\n0.125000 0.625000 0.125000 Mo\n0.125000 0.125000 0.625000 Mo\n0.625000 0.125000 0.125000 Mo\n0.125000 0.125000 0.125000 Mo\n","nsites":6,"nelements":2,"elements":["Zr","Mo"],"chemical_system":"Mo-Zr","density":8.470043894172937,"density_atomic":0.05405200554395046,"volume":111.00420677492372,"volume_molar":11.141382635845604,"formula_full":"Zr2 Mo4","formula_reduced":"ZrMo2","formula_anonymous":"AB2","energy":-61.30947239999999,"energy_per_atom":-10.218245399999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.30947239999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.676000Z","spacegroup":227},{"id":"mp-1215220","created_at":"2022-09-04T14:40:26.360533Z","structure_string":"Zr2 Mo2 W2\n1.0\n-2.697063 2.715732 3.828547\n2.697063 -2.715732 3.828547\n2.697063 2.715732 -3.828547\nZr Mo W\n2 2 2\ndirect\n0.124956 0.874956 0.250000 Zr\n0.875044 0.125044 0.750000 Zr\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n","nsites":6,"nelements":3,"elements":["Zr","Mo","W"],"chemical_system":"Mo-W-Zr","density":10.984637007423514,"density_atomic":0.05349082242703848,"volume":112.1687745254619,"volume_molar":11.258269151150564,"formula_full":"Zr2 Mo2 W2","formula_reduced":"ZrMoW","formula_anonymous":"ABC","energy":-65.53495149,"energy_per_atom":-10.922491915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.53495149,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020427,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.800000Z","spacegroup":74},{"id":"mp-1096108","created_at":"2022-09-04T14:47:25.195170Z","structure_string":"Zr2 Mo1 Pt1\n1.0\n-4.694118 5.815105 8.343651\n4.694118 -5.815105 8.343651\n4.694118 5.815105 -8.343651\nZr Mo Pt\n2 1 1\ndirect\n0.000000 0.235815 0.235815 Zr\n0.000000 0.764185 0.764185 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Zr","Mo","Pt"],"chemical_system":"Mo-Pt-Zr","density":0.8630097723308455,"density_atomic":0.004390685259553202,"volume":911.0195250950513,"volume_molar":137.1571953807688,"formula_full":"Zr2 Mo1 Pt1","formula_reduced":"Zr2MoPt","formula_anonymous":"ABC2","energy":-21.58298468,"energy_per_atom":-5.39574617,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.58298468,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6630224,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.249000Z","spacegroup":71},{"id":"mp-1097382","created_at":"2022-09-04T14:47:58.758633Z","structure_string":"Zr2 Mo1 Pd1\n1.0\n-4.721904 5.657555 8.091062\n4.721904 -5.657555 8.091062\n4.721904 5.657555 -8.091062\nZr Mo Pd\n2 1 1\ndirect\n0.000000 0.236791 0.236791 Zr\n0.000000 0.763209 0.763209 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Zr","Mo","Pd"],"chemical_system":"Mo-Pd-Zr","density":0.7390634608553559,"density_atomic":0.004626457031435713,"volume":864.5924889869113,"volume_molar":130.16744171794826,"formula_full":"Zr2 Mo1 Pd1","formula_reduced":"Zr2MoPd","formula_anonymous":"ABC2","energy":-20.45210855,"energy_per_atom":-5.1130271375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.45210855,"band_gap":0.1504000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0100819,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.691000Z","spacegroup":71},{"id":"mp-1093842","created_at":"2022-09-04T14:41:19.126929Z","structure_string":"Zr2 Mo1 Ir1\n1.0\n-4.664007 5.590479 7.966333\n4.664007 -5.590479 7.966333\n4.664007 5.590479 -7.966333\nZr Mo Ir\n2 1 1\ndirect\n0.000000 0.248470 0.248470 Zr\n0.000000 0.751530 0.751530 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Zr","Mo","Ir"],"chemical_system":"Ir-Mo-Zr","density":0.9405436872233014,"density_atomic":0.004814301996235077,"volume":830.8577241577523,"volume_molar":125.08855416028092,"formula_full":"Zr2 Mo1 Ir1","formula_reduced":"Zr2MoIr","formula_anonymous":"ABC2","energy":-23.21067502,"energy_per_atom":-5.802668755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.21067502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0060986,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.239000Z","spacegroup":71},{"id":"mp-1246691","created_at":"2022-09-04T14:41:47.843554Z","structure_string":"Zr2 Mn8 N8\n1.0\n5.161017 0.078212 0.055299\n2.018526 5.162670 0.587018\n1.607990 3.206008 7.661665\nZr Mn N\n2 8 8\ndirect\n0.748242 0.730500 0.828136 Zr\n0.251758 0.269500 0.171864 Zr\n0.715552 0.673753 0.244190 Mn\n0.284448 0.326247 0.755810 Mn\n0.766830 0.141134 0.940170 Mn\n0.233170 0.858866 0.059830 Mn\n0.750644 0.470172 0.584360 Mn\n0.249356 0.529828 0.415640 Mn\n0.251817 0.908337 0.598530 Mn\n0.748183 0.091663 0.401470 Mn\n0.005355 0.689616 0.586297 N\n0.994645 0.310384 0.413703 N\n0.961700 0.739928 0.024402 N\n0.038300 0.260072 0.975598 N\n0.496633 0.509899 0.794180 N\n0.503367 0.490101 0.205820 N\n0.534600 0.867353 0.386807 N\n0.465400 0.132647 0.613193 N\n","nsites":18,"nelements":3,"elements":["Zr","Mn","N"],"chemical_system":"Mn-N-Zr","density":6.308975600542588,"density_atomic":0.09317141026457737,"volume":193.19231026862948,"volume_molar":6.463507145484889,"formula_full":"Zr2 Mn8 N8","formula_reduced":"Zr(MnN)4","formula_anonymous":"AB4C4","energy":-168.69623231,"energy_per_atom":-9.372012906111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.80823231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.4675408,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.313000Z","spacegroup":2},{"id":"mp-1188045","created_at":"2022-09-04T14:47:58.896062Z","structure_string":"Zr2 Mn6\n1.0\n2.779986 -4.815077 0.000000\n2.779986 4.815077 0.000000\n0.000000 0.000000 4.376830\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.148782 0.297565 0.250000 Mn\n0.702435 0.851218 0.250000 Mn\n0.148782 0.851218 0.250000 Mn\n0.851218 0.702435 0.750000 Mn\n0.297565 0.148782 0.750000 Mn\n0.851218 0.148782 0.750000 Mn\n","nsites":8,"nelements":2,"elements":["Zr","Mn"],"chemical_system":"Mn-Zr","density":7.256851377441457,"density_atomic":0.06827386160183482,"volume":117.17515037680255,"volume_molar":8.8205656142909,"formula_full":"Zr2 Mn6","formula_reduced":"ZrMn3","formula_anonymous":"AB3","energy":-70.89969522,"energy_per_atom":-8.8624619025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.89969522,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.7447853,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.786000Z","spacegroup":194},{"id":"mp-1205027","created_at":"2022-09-04T14:46:53.751077Z","structure_string":"Zr2 Mn4 H24 O12 F16\n1.0\n4.106937 5.653936 0.000000\n-4.106937 5.653936 0.000000\n0.000000 4.628248 11.677923\nZr Mn H O F\n2 4 24 12 16\ndirect\n0.733034 0.266966 0.750000 Zr\n0.266966 0.733034 0.250000 Zr\n0.571497 0.792773 0.790244 Mn\n0.207227 0.428503 0.709756 Mn\n0.428503 0.207227 0.209756 Mn\n0.792773 0.571497 0.290244 Mn\n0.849504 0.241002 0.467971 H\n0.758998 0.150496 0.032029 H\n0.150496 0.758998 0.532029 H\n0.241002 0.849504 0.967971 H\n0.302620 0.144522 0.053432 H\n0.855478 0.697380 0.446568 H\n0.697380 0.855478 0.946568 H\n0.144522 0.302620 0.553432 H\n0.960892 0.156177 0.354993 H\n0.843823 0.039108 0.145007 H\n0.039108 0.843823 0.645007 H\n0.156177 0.960892 0.854993 H\n0.607214 0.653980 0.012971 H\n0.346020 0.392786 0.487029 H\n0.392786 0.346020 0.987029 H\n0.653980 0.607214 0.512971 H\n0.829503 0.377042 0.124855 H\n0.622958 0.170497 0.375145 H\n0.170497 0.622958 0.875145 H\n0.377042 0.829503 0.624855 H\n0.047607 0.413440 0.113055 H\n0.586560 0.952393 0.386945 H\n0.952393 0.586560 0.886945 H\n0.413440 0.047607 0.613055 H\n0.170300 0.758804 0.607481 O\n0.241196 0.829700 0.892519 O\n0.829700 0.241196 0.392519 O\n0.758804 0.170300 0.107481 O\n0.469198 0.897145 0.639582 O\n0.102855 0.530802 0.860418 O\n0.530802 0.102855 0.360418 O\n0.897145 0.469198 0.139582 O\n0.683107 0.722944 0.937880 O\n0.277056 0.316893 0.562120 O\n0.316893 0.277056 0.062120 O\n0.722944 0.683107 0.437880 O\n0.524427 0.464488 0.859218 F\n0.535512 0.475573 0.640782 F\n0.475573 0.535512 0.140782 F\n0.464488 0.524427 0.359218 F\n0.837030 0.543375 0.712873 F\n0.456625 0.162970 0.787127 F\n0.162970 0.456625 0.287127 F\n0.543375 0.837030 0.212873 F\n0.818117 0.954671 0.726151 F\n0.045329 0.181883 0.773849 F\n0.181883 0.045329 0.273849 F\n0.954671 0.818117 0.226151 F\n0.911040 0.270828 0.578678 F\n0.729172 0.088960 0.921322 F\n0.088960 0.729172 0.421322 F\n0.270828 0.911040 0.078678 F\n","nsites":58,"nelements":5,"elements":["Zr","Mn","H","O","F"],"chemical_system":"F-H-Mn-O-Zr","density":2.8241260722120742,"density_atomic":0.10694573301703234,"volume":542.3311277950925,"volume_molar":5.631024810537233,"formula_full":"Zr2 Mn4 H24 O12 F16","formula_reduced":"ZrMn2H12(O3F4)2","formula_anonymous":"AB2C6D8E12","energy":-346.55652711,"energy_per_atom":-5.97511253637931,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.24852711,"band_gap":3.6889,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0005606,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.543000Z","spacegroup":15}]}