GaSb
传统材料 TRAMP-ID: mp-1245146 · 空间群: P1 (#1)
基础信息
化学式
GaSb
MP-ID
mp-1245146
元素数
2
位点数
100
密度
5.6641
g/cm³
体积
2,806.84
ų
晶胞参数 a
14.2333
Å
晶胞参数 b
14.6364
Å
晶胞参数 c
13.5745
Å
α 角
93.93
°
β 角
94.10
°
γ 角
85.64
°
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
0.05594
eV/atom
能量/原子
-18.51860
eV/atom
凸包距离
0.2852
eV/atom
未修正能量
-3.4501
eV/atom
体积/原子
28.07
ų
c/a 比
0.9537
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
0.434
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-1245146
参考引用
The crystal structure and related material properties of GaSb were obtained from the Materials Project database (MP-ID: mp-1245146, 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 14.23332338
_cell_length_b 14.63641306
_cell_length_c 13.57445768
_cell_angle_alpha 93.93032176
_cell_angle_beta 94.10274513
_cell_angle_gamma 85.64481889
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaSb
_chemical_formula_sum 'Ga50 Sb50'
_cell_volume 2806.83641480
_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 0.06350761 0.93667110 0.15875886 1.0
Ga Ga1 1 0.82051636 0.42926582 0.92311093 1.0
Ga Ga2 1 0.28021575 0.81186645 -0.00518430 1.0
Ga Ga3 1 0.19353535 0.52886495 0.12768034 1.0
Ga Ga4 1 0.39181692 0.56778737 0.65276195 1.0
Ga Ga5 1 0.05394374 0.82898363 0.59877093 1.0
Ga Ga6 1 0.76708919 0.81918563 0.08503419 1.0
Ga Ga7 1 0.92061101 0.52796803 0.79903074 1.0
Ga Ga8 1 0.69009184 0.41506680 0.70426881 1.0
Ga Ga9 1 0.47563050 0.17226678 0.12486226 1.0
Ga Ga10 1 0.12982544 0.33710020 0.81820776 1.0
Ga Ga11 1 0.03686922 0.45427978 0.96485785 1.0
Ga Ga12 1 0.35049558 0.60108672 0.37922867 1.0
Ga Ga13 1 0.43089183 0.90497222 0.63164555 1.0
Ga Ga14 1 0.07843717 0.67755743 0.47028986 1.0
Ga Ga15 1 0.41004788 0.79688831 0.13809085 1.0
Ga Ga16 1 0.54952442 0.30465307 0.67529932 1.0
Ga Ga17 1 0.34393533 0.10294066 0.38794712 1.0
Ga Ga18 1 0.12500679 0.80477534 0.85942812 1.0
Ga Ga19 1 0.98853751 0.05871388 0.70844605 1.0
Ga Ga20 1 0.07145376 0.62223745 0.87505051 1.0
Ga Ga21 1 0.98817113 0.71491908 0.72691852 1.0
Ga Ga22 1 0.18538300 0.16883212 0.09449986 1.0
Ga Ga23 1 0.81891152 0.30587335 0.20216289 1.0
Ga Ga24 1 0.42785298 0.37562514 0.51924363 1.0
Ga Ga25 1 0.70915407 0.93303483 0.76011193 1.0
Ga Ga26 1 0.59788213 0.85667946 0.15932272 1.0
Ga Ga27 1 0.48646029 0.52899061 0.28807218 1.0
Ga Ga28 1 0.63680370 0.19418593 0.03414940 1.0
Ga Ga29 1 0.82395579 0.43778311 0.58949866 1.0
Ga Ga30 1 0.06745262 0.57787216 0.25979026 1.0
Ga Ga31 1 0.25182031 0.44829978 0.96032851 1.0
Ga Ga32 1 0.53735318 0.74859906 0.29808926 1.0
Ga Ga33 1 0.22391056 0.81768748 0.49331135 1.0
Ga Ga34 1 0.53811720 0.29058072 0.88701925 1.0
Ga Ga35 1 0.81966397 0.00031796 0.94316167 1.0
Ga Ga36 1 0.12652194 0.70635402 0.04284002 1.0
Ga Ga37 1 0.93491150 0.15723372 0.86945807 1.0
Ga Ga38 1 0.39090881 0.40556726 0.73028562 1.0
Ga Ga39 1 0.70420745 0.44158417 0.14368764 1.0
Ga Ga40 1 0.67322301 0.11456841 0.39480839 1.0
Ga Ga41 1 0.66315950 0.66317743 0.41912518 1.0
Ga Ga42 1 0.48360751 0.35240860 0.33566169 1.0
Ga Ga43 1 0.89784607 0.60112200 0.59782897 1.0
Ga Ga44 1 0.04039485 -0.00506115 0.91227085 1.0
Ga Ga45 1 0.63287349 0.71043285 0.60745215 1.0
Ga Ga46 1 0.40095435 0.12584841 0.63917736 1.0
Ga Ga47 1 0.98552146 0.40519234 0.42100322 1.0
Ga Ga48 1 0.72397072 0.24246583 0.59096667 1.0
Ga Ga49 1 0.80961267 0.79486187 0.57818278 1.0
Sb Sb50 1 0.20267792 0.98796734 0.04835419 1.0
Sb Sb51 1 0.61802941 0.90311528 0.57632486 1.0
Sb Sb52 1 0.42650771 0.73342203 0.51253450 1.0
Sb Sb53 1 0.56072773 0.96283758 0.34171228 1.0
Sb Sb54 1 0.81634341 0.78250470 0.35205542 1.0
Sb Sb55 1 0.66871096 0.47853846 0.35765398 1.0
Sb Sb56 1 0.96123549 0.84259516 0.00979591 1.0
Sb Sb57 1 0.52429531 -0.01590355 0.00735815 1.0
Sb Sb58 1 0.04486955 0.45040077 0.62440231 1.0
Sb Sb59 1 0.02476291 0.26219166 0.02287927 1.0
Sb Sb60 1 0.98628674 0.07177093 0.28121878 1.0
Sb Sb61 1 0.70338887 0.02551169 0.11337288 1.0
Sb Sb62 1 0.94945418 0.91422106 0.43940198 1.0
Sb Sb63 1 0.47346515 0.11856795 0.83125741 1.0
Sb Sb64 1 0.37413366 0.87096791 0.35854369 1.0
Sb Sb65 1 0.23117809 0.54343464 0.50801444 1.0
Sb Sb66 1 0.91219725 0.59591673 0.39342853 1.0
Sb Sb67 1 0.48272215 0.60574264 0.11104102 1.0
Sb Sb68 1 0.68173454 0.61665698 0.07837449 1.0
Sb Sb69 1 0.07717813 0.35591548 0.24636684 1.0
Sb Sb70 1 0.94468774 0.30612115 0.71946071 1.0
Sb Sb71 1 0.56617064 0.50443389 0.55868087 1.0
Sb Sb72 1 0.75030616 0.24517639 0.88779713 1.0
Sb Sb73 1 0.52704265 0.70961002 0.77911587 1.0
Sb Sb74 1 0.40040517 0.02020558 0.20009998 1.0
Sb Sb75 1 0.93125674 0.71144548 0.17716487 1.0
Sb Sb76 1 0.26705797 0.69215987 0.21784709 1.0
Sb Sb77 1 0.62792220 0.24131752 0.24927730 1.0
Sb Sb78 1 0.16037299 0.94914437 0.72619435 1.0
Sb Sb79 1 0.96518931 0.17546122 0.53608732 1.0
Sb Sb80 1 0.20624036 0.52074424 0.77198462 1.0
Sb Sb81 1 0.81027825 0.05287852 0.54446157 1.0
Sb Sb82 1 0.45620972 0.46132107 0.92173834 1.0
Sb Sb83 1 0.77953434 0.67996402 0.76852634 1.0
Sb Sb84 1 0.23644725 0.34018351 0.48727558 1.0
Sb Sb85 1 0.32032663 0.28053867 0.05375597 1.0
Sb Sb86 1 0.27402806 0.00816417 0.54629721 1.0
Sb Sb87 1 0.50731574 0.18787682 0.49575415 1.0
Sb Sb88 1 0.37172636 0.85387142 0.81562307 1.0
Sb Sb89 1 0.26623640 0.72303921 0.68835960 1.0
Sb Sb90 1 0.28594712 0.38722329 0.23847256 1.0
Sb Sb91 1 0.65576772 0.11541817 0.74398856 1.0
Sb Sb92 1 0.15536793 0.17239310 0.29245857 1.0
Sb Sb93 1 0.82510840 0.30502307 0.42070666 1.0
Sb Sb94 1 0.09685304 0.79385976 0.29774502 1.0
Sb Sb95 1 0.89386739 0.14775035 0.10407113 1.0
Sb Sb96 1 0.90039468 0.89610559 0.74675271 1.0
Sb Sb97 1 0.66121439 0.82238389 0.89563076 1.0
Sb Sb98 1 0.26874942 0.27182231 0.68561017 1.0
Sb Sb99 1 0.64012610 0.54351974 0.86829792 1.0