#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE “Fe2.90 Ge1 Te2” GROUP 194 270 P6_3/mm'c' PSPGR 194 1 P 6_3/m m c SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.000000 0.500000 1 -1 0 1 0 0 0 0 1 1 0.000000 0.000000 0.000000 0 -1 0 1 -1 0 0 0 1 1 0.000000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 1 1 0.000000 0.000000 0.000000 -1 1 0 -1 0 0 0 0 1 1 0.000000 0.000000 0.500000 0 1 0 -1 1 0 0 0 1 1 0.000000 0.000000 0.000000 1 -1 0 0 -1 0 0 0 -1 -1 0.000000 0.000000 0.000000 0 1 0 1 0 0 0 0 -1 -1 0.000000 0.000000 0.000000 -1 0 0 -1 1 0 0 0 -1 -1 0.000000 0.000000 0.500000 1 0 0 1 -1 0 0 0 -1 -1 0.000000 0.000000 0.500000 -1 1 0 0 1 0 0 0 -1 -1 0.000000 0.000000 0.500000 0 -1 0 -1 0 0 0 0 -1 -1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.000000 0.000000 0.500000 -1 1 0 -1 0 0 0 0 -1 1 0.000000 0.000000 0.000000 0 1 0 -1 1 0 0 0 -1 1 0.000000 0.000000 0.500000 1 0 0 0 1 0 0 0 -1 1 0.000000 0.000000 0.000000 1 -1 0 1 0 0 0 0 -1 1 0.000000 0.000000 0.500000 0 -1 0 1 -1 0 0 0 -1 1 0.000000 0.000000 0.000000 -1 1 0 0 1 0 0 0 1 -1 0.000000 0.000000 0.000000 0 -1 0 -1 0 0 0 0 1 -1 0.000000 0.000000 0.000000 1 0 0 1 -1 0 0 0 1 -1 0.000000 0.000000 0.500000 -1 0 0 -1 1 0 0 0 1 -1 0.000000 0.000000 0.500000 1 -1 0 0 -1 0 0 0 1 -1 0.000000 0.000000 0.500000 0 1 0 1 0 0 0 0 1 -1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -0.000000 -0.000000 -0.000000 1 0 0 0 1 0 0 0 1 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 CELLP 4.009380 4.009380 16.285000 90.000000 90.000000 120.000000 0.000030 0.000030 0.000200 0.000000 0.000000 0.000000 STRUC 1 Fe Fe1 1.0000 0.000000 0.000000 0.671900 4e 3m'. 0.000000 0.000000 0.000000 0.00 2 Fe Fe2 0.9000 0.333333 0.666667 0.250000 2c -6m'2' 0.000000 0.000000 0.000000 0.00 3 Ge Ge1 1.0000 0.333333 0.666667 0.750000 2d -6m'2' 0.000000 0.000000 0.000000 0.00 4 Te Te1 1.0000 0.333333 0.666667 0.090100 4f 3m'. 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Fe1 0.000000 2 Fe2 0.000000 3 Ge1 0.000000 4 Te1 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 SBOND 0 0 0 0 SITET 1 Fe1 1.2600 181 113 0 181 113 0 204 0 2 Fe2 1.2600 181 113 0 181 113 0 204 0 3 Ge1 1.2200 126 110 166 126 110 166 204 0 4 Te1 1.2000 82 173 81 173 162 81 204 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 2.18000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 1.54000 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 2 0.500 255 0 0 1 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 Fe 1.2600 181 113 0 181 113 0 204 2 Ge 1.2200 126 110 166 126 110 166 204 3 Te 1.2000 82 173 81 173 162 81 204 0 0 0 0 0 0 SCENE -0.223918 0.974054 0.032867 0.000000 -0.073235 -0.050444 0.996038 0.000000 0.971853 0.220624 0.082630 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.000 HBOND 0 2 STYLE DISPF 37753794 MODEL 0 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 VECTS 0.550000 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 204 1 1.000 180 180 180 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 SECCL 0 TEXCL 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000