GaSb
传统材料 TRAMP-ID: mp-1244877 · 空间群: P1 (#1)
基础信息
化学式
GaSb
MP-ID
mp-1244877
元素数
2
位点数
100
密度
5.5967
g/cm³
体积
2,840.67
ų
晶胞参数 a
13.0000
Å
晶胞参数 b
14.4729
Å
晶胞参数 c
15.1179
Å
α 角
91.75
°
β 角
92.29
°
γ 角
89.40
°
空间群
P1
点群
1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.10466
eV/atom
能量/原子
-18.46988
eV/atom
凸包距离
0.3339
eV/atom
未修正能量
-3.4014
eV/atom
体积/原子
28.41
ų
c/a 比
1.1629
电子属性
金属性
金属
带隙
0
eV
直接带隙
No
CBM
N/A
eV
磁性属性
磁性
No
总磁矩
0.0000
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
μB/ų
弹性属性
弹性数据暂不开放
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
Ga · 0.500
元素家族
N/A
溶质分数
0.500
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.424
家族
Binary Alloy
基质元素
Ga · 0.500
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1244877
参考引用
The crystal structure and related material properties of GaSb were obtained from the Materials Project database (MP-ID: mp-1244877, database version v2026.04.13).
文献引用
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
晶体结构 3D 渲染
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_GaSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.99998730
_cell_length_b 14.47284957
_cell_length_c 15.11793480
_cell_angle_alpha 91.75432827
_cell_angle_beta 92.28913927
_cell_angle_gamma 89.40457328
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaSb
_chemical_formula_sum 'Ga50 Sb50'
_cell_volume 2840.67022202
_cell_formula_units_Z 50
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.80062709 0.25008130 0.14171615 1.0
Ga Ga1 1 0.40818149 0.60042894 0.14527185 1.0
Ga Ga2 1 0.56125419 0.49554383 0.98874189 1.0
Ga Ga3 1 0.68769680 0.33833204 0.89619909 1.0
Ga Ga4 1 0.23887385 0.36413744 0.01251050 1.0
Ga Ga5 1 0.06751113 0.61655952 0.98272515 1.0
Ga Ga6 1 0.26232052 0.91783228 0.90950093 1.0
Ga Ga7 1 0.58508890 0.30030929 0.51681289 1.0
Ga Ga8 1 0.85296510 0.22551254 0.77075588 1.0
Ga Ga9 1 0.11953682 0.70587468 0.55820058 1.0
Ga Ga10 1 0.08653043 0.64094587 0.19300032 1.0
Ga Ga11 1 0.63939532 0.19752355 0.79522491 1.0
Ga Ga12 1 0.11744006 0.28752097 0.71123733 1.0
Ga Ga13 1 0.38312157 0.71202760 0.29437762 1.0
Ga Ga14 1 0.83127373 0.13692403 0.28093156 1.0
Ga Ga15 1 0.44767563 0.76525586 0.02224525 1.0
Ga Ga16 1 0.82916376 0.94951301 0.38623475 1.0
Ga Ga17 1 0.55719106 0.96064404 0.64157881 1.0
Ga Ga18 1 0.82794575 0.75789904 0.80111323 1.0
Ga Ga19 1 0.67952870 0.83558014 0.70676475 1.0
Ga Ga20 1 0.20532490 0.83560535 0.29117222 1.0
Ga Ga21 1 0.48802096 0.04061960 0.77945123 1.0
Ga Ga22 1 0.42251341 0.27752073 0.39356345 1.0
Ga Ga23 1 0.93657851 0.40312393 0.17948680 1.0
Ga Ga24 1 0.23084232 0.49928676 0.14935414 1.0
Ga Ga25 1 0.55028402 0.04059496 0.48888760 1.0
Ga Ga26 1 0.08958048 0.48323194 0.29923891 1.0
Ga Ga27 1 0.16056686 0.98664437 0.52089268 1.0
Ga Ga28 1 0.67779428 0.18162690 0.63040090 1.0
Ga Ga29 1 0.96993368 0.40979800 0.62689913 1.0
Ga Ga30 1 0.91467298 0.65476132 0.62635635 1.0
Ga Ga31 1 0.24232463 0.51993974 0.66570632 1.0
Ga Ga32 1 0.08436434 0.04639101 0.90846730 1.0
Ga Ga33 1 0.31759574 0.81459496 0.14473834 1.0
Ga Ga34 1 0.79151193 0.97964677 0.63035016 1.0
Ga Ga35 1 0.74002661 0.44203248 0.07798076 1.0
Ga Ga36 1 0.12767494 0.07258077 0.23269133 1.0
Ga Ga37 1 0.11481677 0.87489734 0.14037712 1.0
Ga Ga38 1 0.04566026 0.43412345 0.01813307 1.0
Ga Ga39 1 0.35404379 0.98389818 0.57074726 1.0
Ga Ga40 1 0.78509596 0.06094720 0.08928856 1.0
Ga Ga41 1 0.76050397 0.32825357 0.29697118 1.0
Ga Ga42 1 0.41744195 0.17083092 0.53385186 1.0
Ga Ga43 1 0.24546182 0.84987047 0.67558693 1.0
Ga Ga44 1 0.15371167 0.39585403 0.55747848 1.0
Ga Ga45 1 0.55063201 0.66591415 0.39811576 1.0
Ga Ga46 1 0.55550793 0.30763147 0.25559849 1.0
Ga Ga47 1 0.60890628 0.29627619 0.05271665 1.0
Ga Ga48 1 0.87052508 0.90796522 0.89672300 1.0
Ga Ga49 1 0.17070464 0.68023566 0.73148683 1.0
Sb Sb50 1 0.03990482 0.91848908 0.37892609 1.0
Sb Sb51 1 0.60972977 0.65861180 0.10167443 1.0
Sb Sb52 1 0.35230520 0.50527459 0.49777939 1.0
Sb Sb53 1 0.62675677 0.06648663 0.92440129 1.0
Sb Sb54 1 0.18872361 0.66916611 0.38535946 1.0
Sb Sb55 1 0.68722086 0.67000159 0.90606653 1.0
Sb Sb56 1 0.05411099 0.26333510 0.25791192 1.0
Sb Sb57 1 0.25007879 0.00392730 0.07598868 1.0
Sb Sb58 1 0.98459677 0.62340433 0.80262941 1.0
Sb Sb59 1 0.27817198 0.58480509 0.97003179 1.0
Sb Sb60 1 0.57604741 0.11289785 0.11997372 1.0
Sb Sb61 1 0.55831186 0.83587412 0.86810163 1.0
Sb Sb62 1 0.76804640 0.36951126 0.64244456 1.0
Sb Sb63 1 0.67689099 0.48570919 0.78336728 1.0
Sb Sb64 1 0.60780039 0.13363642 0.33157147 1.0
Sb Sb65 1 0.34419599 0.98423499 0.26511590 1.0
Sb Sb66 1 0.70715462 0.43693968 0.44524667 1.0
Sb Sb67 1 0.00167035 0.54123577 0.49352908 1.0
Sb Sb68 1 0.44460023 0.24282841 0.71522684 1.0
Sb Sb69 1 0.20404409 0.17155624 0.56910327 1.0
Sb Sb70 1 0.22177686 0.43040796 0.83227410 1.0
Sb Sb71 1 0.72600545 0.64191537 0.51838015 1.0
Sb Sb72 1 0.77590874 0.10876484 0.47893752 1.0
Sb Sb73 1 0.33538898 0.74992926 0.84578225 1.0
Sb Sb74 1 0.37271105 0.21277095 0.99952804 1.0
Sb Sb75 1 0.71441678 0.87145519 0.01434468 1.0
Sb Sb76 1 0.52797790 0.91302368 0.14581685 1.0
Sb Sb77 1 0.06592917 0.84099195 0.86717186 1.0
Sb Sb78 1 0.88058201 0.30471460 0.98416189 1.0
Sb Sb79 1 0.96148808 0.15766740 0.62459758 1.0
Sb Sb80 1 0.49440398 0.42873453 0.64506889 1.0
Sb Sb81 1 0.71498700 0.67762012 0.27908000 1.0
Sb Sb82 1 0.65693162 0.86762234 0.30360340 1.0
Sb Sb83 1 0.89320620 0.57418849 0.10117986 1.0
Sb Sb84 1 0.12663020 0.03606293 0.70417093 1.0
Sb Sb85 1 0.92420526 0.25950938 0.40859806 1.0
Sb Sb86 1 0.46791047 0.87337694 0.41208554 1.0
Sb Sb87 1 0.43439578 0.39622549 0.12485581 1.0
Sb Sb88 1 0.97345056 0.41889840 0.81876714 1.0
Sb Sb89 1 0.44202252 0.79409570 0.59196106 1.0
Sb Sb90 1 0.95582668 0.72608031 0.35786309 1.0
Sb Sb91 1 0.59777805 0.66194149 0.66787843 1.0
Sb Sb92 1 0.93123460 0.98005101 0.20541883 1.0
Sb Sb93 1 0.22207317 0.36344735 0.39065265 1.0
Sb Sb94 1 0.97559260 0.78420990 0.03428437 1.0
Sb Sb95 1 0.86325213 0.09535248 0.91845727 1.0
Sb Sb96 1 0.86515870 0.81171050 0.52396926 1.0
Sb Sb97 1 0.43520628 0.35687017 0.88116632 1.0
Sb Sb98 1 0.29896711 0.08845543 0.84131418 1.0
Sb Sb99 1 0.50637951 0.47354990 0.36025630 1.0