GaSb
传统材料 TRAMP-ID: mp-1245217 · 空间群: P1 (#1)
基础信息
化学式
GaSb
MP-ID
mp-1245217
元素数
2
位点数
100
密度
5.8169
g/cm³
体积
2,733.11
ų
晶胞参数 a
13.5185
Å
晶胞参数 b
15.0570
Å
晶胞参数 c
13.4666
Å
α 角
91.32
°
β 角
87.44
°
γ 角
86.76
°
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
0.08400
eV/atom
能量/原子
-18.49054
eV/atom
凸包距离
0.3133
eV/atom
未修正能量
-3.4220
eV/atom
体积/原子
27.33
ų
c/a 比
0.9962
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-1245217
参考引用
The crystal structure and related material properties of GaSb were obtained from the Materials Project database (MP-ID: mp-1245217, 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 13.51852348
_cell_length_b 15.05697931
_cell_length_c 13.46662878
_cell_angle_alpha 91.31997272
_cell_angle_beta 87.44107652
_cell_angle_gamma 86.76280408
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaSb
_chemical_formula_sum 'Ga50 Sb50'
_cell_volume 2733.10649946
_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 0.76760217 0.06121409 0.47053135 1.0
Ga Ga1 1 0.62273691 0.32754113 0.09855201 1.0
Ga Ga2 1 0.24829991 0.02182043 0.87465711 1.0
Ga Ga3 1 0.42128626 0.78511675 0.02659048 1.0
Ga Ga4 1 0.57398146 0.83216085 0.40411708 1.0
Ga Ga5 1 0.18906393 0.84967242 0.66045587 1.0
Ga Ga6 1 0.78566096 0.62460846 0.39043623 1.0
Ga Ga7 1 0.04918854 0.83475160 0.81018351 1.0
Ga Ga8 1 0.71890398 0.48895102 0.00283197 1.0
Ga Ga9 1 0.14796880 0.16839136 0.93198689 1.0
Ga Ga10 1 0.41143108 0.37375543 0.88788644 1.0
Ga Ga11 1 0.96406301 0.11823386 0.95690646 1.0
Ga Ga12 1 0.67720447 0.58456561 0.75468435 1.0
Ga Ga13 1 0.95409315 0.70864547 0.70694345 1.0
Ga Ga14 1 0.63797059 0.68063684 0.54318239 1.0
Ga Ga15 1 0.28730192 0.53685975 0.51572382 1.0
Ga Ga16 1 0.74446299 0.36052066 0.66567292 1.0
Ga Ga17 1 0.39647547 0.08349968 0.65858650 1.0
Ga Ga18 1 0.41889270 0.83620946 0.23208367 1.0
Ga Ga19 1 0.04815862 0.34898371 0.78058140 1.0
Ga Ga20 1 0.32193405 0.67253567 0.62973872 1.0
Ga Ga21 1 0.74790488 0.82608852 0.49922532 1.0
Ga Ga22 1 0.17339161 0.22992371 0.67270520 1.0
Ga Ga23 1 0.34234034 0.00728883 0.06208980 1.0
Ga Ga24 1 0.56285193 0.45773685 0.81856019 1.0
Ga Ga25 1 0.89319839 0.27025942 0.85857335 1.0
Ga Ga26 1 0.52738041 0.92605623 0.07358303 1.0
Ga Ga27 1 0.39356572 0.48901162 0.18487184 1.0
Ga Ga28 1 0.75681008 0.20306260 0.99936890 1.0
Ga Ga29 1 0.86833944 0.67102334 0.88991983 1.0
Ga Ga30 1 0.97098327 0.45631542 0.07019336 1.0
Ga Ga31 1 0.29828906 0.42777193 0.03730845 1.0
Ga Ga32 1 0.20007855 0.40545648 0.41577859 1.0
Ga Ga33 1 0.54435235 0.22465717 0.89381923 1.0
Ga Ga34 1 0.82490176 0.47107230 0.81529175 1.0
Ga Ga35 1 0.87917225 0.09841219 0.78581268 1.0
Ga Ga36 1 0.06741284 0.70122580 0.19925568 1.0
Ga Ga37 1 0.68329997 0.04039216 0.09910771 1.0
Ga Ga38 1 0.13064807 0.50649451 0.63352321 1.0
Ga Ga39 1 0.62667725 0.44556106 0.34933707 1.0
Ga Ga40 1 0.69405206 0.83282317 0.05697089 1.0
Ga Ga41 1 0.51686089 0.23780209 0.50227602 1.0
Ga Ga42 1 0.13191262 0.25146095 0.34013614 1.0
Ga Ga43 1 0.47041272 0.55876162 0.40147819 1.0
Ga Ga44 1 0.17109762 0.34127371 0.93153756 1.0
Ga Ga45 1 0.40976314 0.72733446 0.39468698 1.0
Ga Ga46 1 0.70167598 0.33827650 0.87842032 1.0
Ga Ga47 1 0.92942424 0.32545089 0.63535310 1.0
Ga Ga48 1 0.85713915 0.10462106 0.12537190 1.0
Ga Ga49 1 0.73556034 0.08313206 0.66513404 1.0
Sb Sb50 1 0.11321684 0.12547962 0.14060472 1.0
Sb Sb51 1 0.65973564 0.06258104 0.90071958 1.0
Sb Sb52 1 0.54708872 0.04196808 0.51632354 1.0
Sb Sb53 1 0.64442585 0.73419560 0.22095864 1.0
Sb Sb54 1 0.60576764 0.26153110 0.31541391 1.0
Sb Sb55 1 0.98043585 0.28320053 0.19388521 1.0
Sb Sb56 1 0.29707642 0.58393046 0.92236666 1.0
Sb Sb57 1 0.45416221 0.95786347 0.84542834 1.0
Sb Sb58 1 0.01746592 0.19480038 0.51556276 1.0
Sb Sb59 1 0.95363378 0.05020858 0.28536871 1.0
Sb Sb60 1 0.85359086 0.21053883 0.38160603 1.0
Sb Sb61 1 0.84656801 0.92164124 0.84267613 1.0
Sb Sb62 1 0.94839329 0.86969860 0.46116216 1.0
Sb Sb63 1 0.28111576 0.38981530 0.72614973 1.0
Sb Sb64 1 0.21209460 0.77665117 0.46766124 1.0
Sb Sb65 1 0.99577305 0.45145421 0.50396045 1.0
Sb Sb66 1 0.97548255 0.55961506 0.27821477 1.0
Sb Sb67 1 0.26168675 0.68259860 0.11266831 1.0
Sb Sb68 1 0.51599124 0.62855909 0.93726234 1.0
Sb Sb69 1 0.78030212 0.43523074 0.20200862 1.0
Sb Sb70 1 0.84098890 0.58440279 0.60670607 1.0
Sb Sb71 1 0.63973613 0.48573610 0.55395012 1.0
Sb Sb72 1 0.01405521 0.51630496 0.87677000 1.0
Sb Sb73 1 0.50150270 0.69873546 0.70830162 1.0
Sb Sb74 1 0.38404879 0.94113887 0.42609637 1.0
Sb Sb75 1 0.00943150 0.75763895 0.00848232 1.0
Sb Sb76 1 0.10783532 0.85868235 0.29646999 1.0
Sb Sb77 1 0.31100241 0.23822088 0.15810695 1.0
Sb Sb78 1 0.15770432 0.65074958 0.76604665 1.0
Sb Sb79 1 0.31260593 0.21778217 0.49104523 1.0
Sb Sb80 1 0.98518452 0.02630284 0.61050884 1.0
Sb Sb81 1 0.19594873 0.03438248 0.67363190 1.0
Sb Sb82 1 0.43750616 0.41500246 0.56136208 1.0
Sb Sb83 1 0.64412969 0.92145458 0.65720336 1.0
Sb Sb84 1 0.40647333 0.34527673 0.31129885 1.0
Sb Sb85 1 0.56626905 0.56966089 0.13898396 1.0
Sb Sb86 1 0.34339254 0.20515052 0.81259633 1.0
Sb Sb87 1 0.55101181 0.02248326 0.25995427 1.0
Sb Sb88 1 0.28784041 0.82968093 0.87013105 1.0
Sb Sb89 1 0.40667319 0.86589893 0.64313644 1.0
Sb Sb90 1 0.14591126 0.41493424 0.18699714 1.0
Sb Sb91 1 0.60873545 0.23242186 0.68321355 1.0
Sb Sb92 1 0.27692725 0.10330337 0.31086907 1.0
Sb Sb93 1 0.74536319 0.93599287 0.31766680 1.0
Sb Sb94 1 0.01989333 0.68760668 0.50515868 1.0
Sb Sb95 1 0.19323617 0.87175824 0.07377928 1.0
Sb Sb96 1 0.87349275 0.91423554 0.05506827 1.0
Sb Sb97 1 0.83061084 0.61226376 0.12070950 1.0
Sb Sb98 1 0.26466693 0.58402618 0.31724836 1.0
Sb Sb99 1 0.68535620 0.76216198 0.86929214 1.0