{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4379","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4377","results":[{"id":"jvasp-104674","created_at":"2022-09-04T14:36:46.953419Z","updated_at":"2022-09-04T14:36:46.953438Z","structure_string":"Ti1 Zn1 Cu2\n1.0\n2.805799 -0.000000 0.000000\n0.000000 2.805799 0.000000\n-0.000000 -0.000000 6.925819\nTi Zn Cu\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.737781 Cu\n0.000000 0.000000 0.262219 Cu\n","nsites":4,"nelements":3,"elements":["Ti","Zn","Cu"],"chemical_system":"Cu-Ti-Zn","density":7.3205126879919495,"density_atomic":0.07336277351009847,"volume":54.52356568075218,"volume_molar":8.20871468166487,"formula_full":"Ti1 Zn1 Cu2","formula_reduced":"TiZnCu2","formula_anonymous":"ABC2","energy_above_hull":0.3257774083333333,"spacegroup":123},{"id":"jvasp-104673","created_at":"2022-09-04T14:36:46.268371Z","updated_at":"2022-09-04T14:36:46.268381Z","structure_string":"Tl2 Ga1 Cu3 Se4\n1.0\n7.537253 0.002094 0.000000\n-5.406437 5.251726 0.000000\n-0.000000 -0.000000 5.622636\nTl Ga Cu Se\n2 1 3 4\ndirect\n0.500000 -0.000000 0.247968 Tl\n0.000000 0.500000 0.752032 Tl\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.643479 0.864717 0.754391 Se\n0.135283 0.356521 0.245610 Se\n0.864716 0.643480 0.245610 Se\n0.356519 0.135283 0.754391 Se\n","nsites":10,"nelements":4,"elements":["Tl","Ga","Cu","Se"],"chemical_system":"Cu-Ga-Se-Tl","density":7.34669022824204,"density_atomic":0.044918028460915325,"volume":222.62775866713147,"volume_molar":13.40695699776776,"formula_full":"Tl2 Ga1 Cu3 Se4","formula_reduced":"Tl2GaCu3Se4","formula_anonymous":"AB2C3D4","energy_above_hull":0.2750102341666668,"spacegroup":21},{"id":"jvasp-104672","created_at":"2022-09-04T14:36:40.862619Z","updated_at":"2022-09-04T14:36:40.862632Z","structure_string":"Tm1 Cu1 Ge1\n1.0\n4.171652 0.000000 0.000000\n-2.085827 3.612757 0.000000\n-0.000000 -0.000000 3.657738\nTm Cu Ge\n1 1 1\ndirect\n0.666666 0.333334 -0.000000 Tm\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.500000 Ge\n","nsites":3,"nelements":3,"elements":["Tm","Cu","Ge"],"chemical_system":"Cu-Ge-Tm","density":9.190955309120785,"density_atomic":0.05442041345886809,"volume":55.126372795154396,"volume_molar":11.06595921868848,"formula_full":"Tm1 Cu1 Ge1","formula_reduced":"TmCuGe","formula_anonymous":"ABC","energy_above_hull":0.2932335499999999,"spacegroup":187},{"id":"jvasp-104671","created_at":"2022-09-04T14:37:14.202428Z","updated_at":"2022-09-04T14:37:14.202442Z","structure_string":"V1 Pt3\n1.0\n2.740893 0.000771 8.829621\n1.339575 2.391241 8.829621\n0.001315 0.000771 9.245253\nV Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.256296 0.256297 0.256298 Pt\n0.499998 0.500000 0.500002 Pt\n0.743700 0.743702 0.743706 Pt\n","nsites":4,"nelements":2,"elements":["V","Pt"],"chemical_system":"Pt-V","density":17.447771480728758,"density_atomic":0.06606350793686083,"volume":60.547799003088635,"volume_molar":9.115684207619687,"formula_full":"V1 Pt3","formula_reduced":"VPt3","formula_anonymous":"AB3","energy_above_hull":2.969917100000001,"spacegroup":166},{"id":"jvasp-104670","created_at":"2022-09-04T14:36:45.042537Z","updated_at":"2022-09-04T14:36:45.042552Z","structure_string":"Yb1 Lu2 Se4\n1.0\n4.038088 0.000000 0.000000\n-0.000000 6.552567 2.118639\n-0.000000 0.016407 7.086868\nYb Lu Se\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 -0.000000 Lu\n0.500000 0.759515 0.241744 Se\n0.000000 0.256367 0.233499 Se\n0.500000 0.240485 0.758257 Se\n0.000000 0.743634 0.766502 Se\n","nsites":7,"nelements":3,"elements":["Yb","Lu","Se"],"chemical_system":"Lu-Se-Yb","density":7.433586292038877,"density_atomic":0.0373578315483699,"volume":187.3770427744606,"volume_molar":16.12015609686204,"formula_full":"Yb1 Lu2 Se4","formula_reduced":"Yb(LuSe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.9290736666666668,"spacegroup":10},{"id":"jvasp-104669","created_at":"2022-09-04T14:37:12.083684Z","updated_at":"2022-09-04T14:37:12.083708Z","structure_string":"Y1 Zr1 S2\n1.0\n3.683812 0.025830 5.420123\n1.686602 3.275135 5.420123\n0.042024 0.025830 6.553354\nY Zr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.500001 0.500000 Zr\n0.246501 0.246502 0.246501 S\n0.753497 0.753500 0.753498 S\n","nsites":4,"nelements":3,"elements":["Y","Zr","S"],"chemical_system":"S-Y-Zr","density":5.216029575000005,"density_atomic":0.05143975044581122,"volume":77.76087491353145,"volume_molar":11.70717335875098,"formula_full":"Y1 Zr1 S2","formula_reduced":"YZrS2","formula_anonymous":"ABC2","energy_above_hull":2.2862799875000004,"spacegroup":166},{"id":"jvasp-104668","created_at":"2022-09-04T14:37:11.210696Z","updated_at":"2022-09-04T14:37:11.210723Z","structure_string":"Zr3 S4\n1.0\n6.295876 0.019199 0.000000\n-1.997143 5.970749 0.000000\n0.000000 0.000000 3.666577\nZr S\n3 4\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255361 0.255361 0.500000 S\n0.744640 0.744639 0.500000 S\n0.738397 0.261603 -0.000000 S\n0.261604 0.738397 -0.000000 S\n","nsites":7,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":4.837412629065717,"density_atomic":0.050735213527541644,"volume":137.97123365214665,"volume_molar":11.869745569772515,"formula_full":"Zr3 S4","formula_reduced":"Zr3S4","formula_anonymous":"A3B4","energy_above_hull":3.0956247857142856,"spacegroup":65},{"id":"jvasp-104667","created_at":"2022-09-04T14:37:09.909534Z","updated_at":"2022-09-04T14:37:09.909561Z","structure_string":"Zn1 Cd1 O2\n1.0\n3.414917 -0.000000 0.000000\n-1.707458 2.957406 0.000000\n-0.000000 -0.000000 5.695410\nZn Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.996210 Zn\n0.666667 0.333334 0.488628 Cd\n0.666667 0.333334 0.098663 O\n0.000000 0.000000 0.652500 O\n","nsites":4,"nelements":3,"elements":["Zn","Cd","O"],"chemical_system":"Cd-O-Zn","density":6.057276529144976,"density_atomic":0.06954147463117934,"volume":57.51963157546527,"volume_molar":8.65978294526981,"formula_full":"Zn1 Cd1 O2","formula_reduced":"ZnCdO2","formula_anonymous":"ABC2","energy_above_hull":0.0063117874999999,"spacegroup":156},{"id":"jvasp-104666","created_at":"2022-09-04T14:36:43.547170Z","updated_at":"2022-09-04T14:36:43.547204Z","structure_string":"Zr2 H1 N2 Cl2\n1.0\n3.661701 -0.022887 8.464211\n1.733929 3.225224 8.464211\n-0.038562 -0.022887 9.222227\nZr H N Cl\n2 1 2 2\ndirect\n0.881448 0.881444 0.881447 Zr\n0.124236 0.124235 0.124235 Zr\n0.759430 0.759427 0.759430 H\n0.798069 0.798065 0.798069 N\n0.201202 0.201201 0.201202 N\n0.613240 0.613236 0.613239 Cl\n0.387482 0.387480 0.387482 Cl\n","nsites":7,"nelements":4,"elements":["Zr","H","N","Cl"],"chemical_system":"Cl-H-N-Zr","density":4.235258698989105,"density_atomic":0.06322693346521928,"volume":110.71231224349437,"volume_molar":9.524644688505635,"formula_full":"Zr2 H1 N2 Cl2","formula_reduced":"Zr2H(NCl)2","formula_anonymous":"AB2C2D2","energy_above_hull":3.3300762335714285,"spacegroup":160},{"id":"jvasp-104665","created_at":"2022-09-04T14:36:59.298920Z","updated_at":"2022-09-04T14:36:59.298931Z","structure_string":"Zn1 Ga1 P1 Se1\n1.0\n3.790388 0.003256 5.791300\n1.729141 3.373000 5.791300\n0.005323 0.003256 6.921428\nZn Ga P Se\n1 1 1 1\ndirect\n0.005437 0.005437 0.005437 Zn\n0.495720 0.495723 0.495721 Ga\n0.125638 0.125639 0.125639 P\n0.623201 0.623204 0.623202 Se\n","nsites":4,"nelements":4,"elements":["Zn","Ga","P","Se"],"chemical_system":"Ga-P-Se-Zn","density":4.608172909069305,"density_atomic":0.04529570461078804,"volume":88.30859425569734,"volume_molar":13.295169623138422,"formula_full":"Zn1 Ga1 P1 Se1","formula_reduced":"ZnGaPSe","formula_anonymous":"ABCD","energy_above_hull":0.4459203979166667,"spacegroup":160},{"id":"jvasp-104662","created_at":"2022-09-04T14:36:59.445713Z","updated_at":"2022-09-04T14:36:59.445723Z","structure_string":"Pr4 Os1 I5\n1.0\n9.775748 -0.047836 2.297613\n8.851691 4.149108 2.297613\n0.078946 0.017382 9.184390\nPr Os I\n4 1 5\ndirect\n0.855305 0.855304 0.075993 Pr\n0.144696 0.144695 0.924006 Pr\n0.498666 0.498665 0.212677 Pr\n0.501336 0.501334 0.787322 Pr\n0.000000 0.000000 0.000000 Os\n0.672542 0.672541 0.177378 I\n0.327460 0.327458 0.822621 I\n0.671524 0.671522 0.649552 I\n0.328478 0.328477 0.350447 I\n0.000000 -0.000000 0.500000 I\n","nsites":10,"nelements":3,"elements":["Pr","Os","I"],"chemical_system":"I-Os-Pr","density":6.137830960969358,"density_atomic":0.026622973165161042,"volume":375.61544828081225,"volume_molar":22.620091011775518,"formula_full":"Pr4 Os1 I5","formula_reduced":"Pr4OsI5","formula_anonymous":"AB4C5","energy_above_hull":1.2187235775000005,"spacegroup":12},{"id":"jvasp-104661","created_at":"2022-09-04T14:37:00.233331Z","updated_at":"2022-09-04T14:37:00.233361Z","structure_string":"Sr2 Fe1 Ir1 O6\n1.0\n4.831772 -0.060676 2.838994\n1.594433 4.516614 2.737405\n0.057951 -0.051067 5.604607\nSr Fe Ir O\n2 1 1 6\ndirect\n0.750067 0.750023 0.749910 Sr\n0.249933 0.249975 0.250090 Sr\n0.500000 0.499999 0.500000 Fe\n0.000000 0.000000 0.000000 Ir\n0.752797 0.248022 0.750263 O\n0.247203 0.751976 0.249737 O\n0.213875 0.708420 0.787753 O\n0.786125 0.291577 0.212247 O\n0.708823 0.787285 0.290429 O\n0.291177 0.212713 0.709571 O\n","nsites":10,"nelements":4,"elements":["Sr","Fe","Ir","O"],"chemical_system":"Fe-Ir-O-Sr","density":7.036751358041168,"density_atomic":0.08160299971247632,"volume":122.54451472659643,"volume_molar":7.379803170494566,"formula_full":"Sr2 Fe1 Ir1 O6","formula_reduced":"Sr2FeIrO6","formula_anonymous":"ABC2D6","energy_above_hull":2.359118022,"spacegroup":87}]}