GaSb
传统材料 TRAMP-ID: mp-1244895 · 空间群: P1 (#1)
基础信息
化学式
GaSb
MP-ID
mp-1244895
元素数
2
位点数
100
密度
5.8403
g/cm³
体积
2,722.17
ų
晶胞参数 a
13.4659
Å
晶胞参数 b
14.2718
Å
晶胞参数 c
14.2252
Å
α 角
89.35
°
β 角
92.82
°
γ 角
94.46
°
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
0.05559
eV/atom
能量/原子
-18.51896
eV/atom
凸包距离
0.2849
eV/atom
未修正能量
-3.4505
eV/atom
体积/原子
27.22
ų
c/a 比
1.0564
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
0.0001
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-1244895
参考引用
The crystal structure and related material properties of GaSb were obtained from the Materials Project database (MP-ID: mp-1244895, 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 13.46586277
_cell_length_b 14.27182898
_cell_length_c 14.22523293
_cell_angle_alpha 89.34797498
_cell_angle_beta 92.82219116
_cell_angle_gamma 94.46264511
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaSb
_chemical_formula_sum 'Ga50 Sb50'
_cell_volume 2722.16850886
_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 0.00346328 0.21901262 0.15253735 1.0
Ga Ga1 1 0.55564173 0.40995636 0.08802098 1.0
Ga Ga2 1 0.47719452 0.09064465 0.09855621 1.0
Ga Ga3 1 0.78520154 0.81553856 0.89995284 1.0
Ga Ga4 1 0.16048920 0.31349958 0.20659399 1.0
Ga Ga5 1 0.98739167 0.52514944 0.60530632 1.0
Ga Ga6 1 0.85125383 0.64067003 0.93529547 1.0
Ga Ga7 1 0.88669448 0.66841232 0.54923425 1.0
Ga Ga8 1 0.81740122 0.31909659 0.79248564 1.0
Ga Ga9 1 0.68945328 0.24594380 0.47510999 1.0
Ga Ga10 1 0.35619391 0.56445304 0.97417360 1.0
Ga Ga11 1 0.34049054 0.05046961 0.70183605 1.0
Ga Ga12 1 0.17921028 0.54968679 0.55108959 1.0
Ga Ga13 1 0.32376183 0.93473915 0.10154394 1.0
Ga Ga14 1 0.97284534 0.63722168 0.32091081 1.0
Ga Ga15 1 0.29069474 0.76027070 0.93819752 1.0
Ga Ga16 1 0.61638838 0.15801331 0.62474461 1.0
Ga Ga17 1 0.33115134 0.17323687 0.42585147 1.0
Ga Ga18 1 0.36596834 0.89614624 0.79706396 1.0
Ga Ga19 1 0.00143244 0.92400024 0.74496121 1.0
Ga Ga20 1 0.18563453 0.63877031 0.05971002 1.0
Ga Ga21 1 0.05207592 0.79621539 0.61999150 1.0
Ga Ga22 1 0.27547342 0.43943312 0.84465050 1.0
Ga Ga23 1 0.19086492 0.29551434 0.00924232 1.0
Ga Ga24 1 0.20488658 0.29086871 0.37849785 1.0
Ga Ga25 1 0.54727034 0.97229333 0.60911924 1.0
Ga Ga26 1 0.75091367 0.40084127 0.08854048 1.0
Ga Ga27 1 0.14868056 0.87895208 0.29587603 1.0
Ga Ga28 1 0.73763076 0.33178865 0.27793546 1.0
Ga Ga29 1 0.11453877 0.36669384 0.56726202 1.0
Ga Ga30 1 0.08199019 0.54607068 0.76511873 1.0
Ga Ga31 1 0.29018275 0.54342969 0.31685177 1.0
Ga Ga32 1 0.68917183 0.94222840 0.98133661 1.0
Ga Ga33 1 0.28517437 0.07767009 0.25086142 1.0
Ga Ga34 1 0.74722766 0.11068494 0.93338968 1.0
Ga Ga35 1 0.78055111 0.17928742 0.18013693 1.0
Ga Ga36 1 0.27466690 0.77164815 0.17151837 1.0
Ga Ga37 1 0.97770655 0.85598191 0.93373888 1.0
Ga Ga38 1 0.24063223 0.46287718 0.10584527 1.0
Ga Ga39 1 0.86790614 0.33098168 0.42458847 1.0
Ga Ga40 1 0.98257193 0.02221513 0.49071843 1.0
Ga Ga41 1 0.85597986 0.51307677 0.40735722 1.0
Ga Ga42 1 0.25847403 0.08720235 0.01326640 1.0
Ga Ga43 1 0.19396821 0.76016324 0.75957575 1.0
Ga Ga44 1 0.07034728 0.14084391 0.97305423 1.0
Ga Ga45 1 0.67130839 0.50966381 0.55280213 1.0
Ga Ga46 1 0.51190232 0.06889913 0.43515655 1.0
Ga Ga47 1 0.33834642 0.23397349 0.14894490 1.0
Ga Ga48 1 0.69002401 0.01330119 0.75539452 1.0
Ga Ga49 1 0.25245067 0.82722250 0.57926596 1.0
Sb Sb50 1 0.09038854 0.03713860 0.15615081 1.0
Sb Sb51 1 0.61602071 0.80382514 0.24375873 1.0
Sb Sb52 1 0.27993423 0.59535187 0.71872577 1.0
Sb Sb53 1 0.65956547 0.00217362 0.16813360 1.0
Sb Sb54 1 0.16552106 0.70854801 0.44195277 1.0
Sb Sb55 1 0.63098498 0.49423583 0.30489523 1.0
Sb Sb56 1 0.17169649 0.93326670 0.89210197 1.0
Sb Sb57 1 0.41085721 0.14520961 0.88680698 1.0
Sb Sb58 1 0.05444834 0.67633821 0.90472324 1.0
Sb Sb59 1 0.03009518 0.48167007 0.02406049 1.0
Sb Sb60 1 0.72836422 0.06688645 0.39283330 1.0
Sb Sb61 1 0.48171484 0.91691588 0.96766123 1.0
Sb Sb62 1 0.97162050 0.82556884 0.42801388 1.0
Sb Sb63 1 0.67417930 0.76345004 0.73970258 1.0
Sb Sb64 1 0.45702493 0.94855167 0.27406337 1.0
Sb Sb65 1 0.31419275 0.43541036 0.47122987 1.0
Sb Sb66 1 0.70717266 0.66406186 0.41766917 1.0
Sb Sb67 1 0.43380916 0.52773050 0.18212751 1.0
Sb Sb68 1 0.74716768 0.47628703 0.88595952 1.0
Sb Sb69 1 0.02520373 0.22396071 0.44923602 1.0
Sb Sb70 1 0.07330730 0.36951856 0.84970009 1.0
Sb Sb71 1 0.50890839 0.65296331 0.50137849 1.0
Sb Sb72 1 0.63670459 0.21303657 0.80889701 1.0
Sb Sb73 1 0.27290833 0.31886412 0.68980313 1.0
Sb Sb74 1 0.39758448 0.32700110 0.97279943 1.0
Sb Sb75 1 0.74336012 0.73841368 0.08919778 1.0
Sb Sb76 1 0.46876252 0.73588693 0.09387041 1.0
Sb Sb77 1 0.82167488 0.07512621 0.59604584 1.0
Sb Sb78 1 0.19437928 0.15310343 0.79304491 1.0
Sb Sb79 1 0.92185281 0.07065054 0.84062882 1.0
Sb Sb80 1 0.62282154 0.56016409 0.73662397 1.0
Sb Sb81 1 0.64683643 0.88270550 0.46983965 1.0
Sb Sb82 1 0.35786833 0.72696163 0.35135361 1.0
Sb Sb83 1 0.86207157 0.57611006 0.13339957 1.0
Sb Sb84 1 0.15485180 0.99510592 0.60241964 1.0
Sb Sb85 1 0.93213874 0.08139268 0.29206998 1.0
Sb Sb86 1 0.29509775 0.97063351 0.42975572 1.0
Sb Sb87 1 0.48941229 0.22810606 0.30083646 1.0
Sb Sb88 1 0.96289399 0.21813867 0.70136722 1.0
Sb Sb89 1 0.44359479 0.79690261 0.64240427 1.0
Sb Sb90 1 0.10011053 0.49504171 0.25161511 1.0
Sb Sb91 1 0.48686932 0.68003192 0.83672152 1.0
Sb Sb92 1 0.92025984 0.89479412 0.11543444 1.0
Sb Sb93 1 0.53511991 0.37599361 0.44966710 1.0
Sb Sb94 1 0.04020290 0.73930370 0.16799871 1.0
Sb Sb95 1 0.86651139 0.26444672 0.01219368 1.0
Sb Sb96 1 0.82065193 0.84563125 0.59926939 1.0
Sb Sb97 1 0.59521935 0.59535825 0.99870774 1.0
Sb Sb98 1 0.41512286 0.20393540 0.60371103 1.0
Sb Sb99 1 0.82467785 0.39569789 0.60473179 1.0