GaSb
传统材料 TRAMP-ID: mp-1245088 · 空间群: P1 (#1)
基础信息
化学式
GaSb
MP-ID
mp-1245088
元素数
2
位点数
100
密度
5.7928
g/cm³
体积
2,744.48
ų
晶胞参数 a
14.3172
Å
晶胞参数 b
13.4573
Å
晶胞参数 c
14.2483
Å
α 角
90.31
°
β 角
90.57
°
γ 角
91.16
°
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
0.05800
eV/atom
能量/原子
-18.51654
eV/atom
凸包距离
0.2873
eV/atom
未修正能量
-3.4480
eV/atom
体积/原子
27.44
ų
c/a 比
0.9952
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
0.433
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-1245088
参考引用
The crystal structure and related material properties of GaSb were obtained from the Materials Project database (MP-ID: mp-1245088, 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
加载 3D 结构...
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 14.31716100
_cell_length_b 13.45730578
_cell_length_c 14.24827397
_cell_angle_alpha 90.30696303
_cell_angle_beta 90.57019183
_cell_angle_gamma 91.16363975
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaSb
_chemical_formula_sum 'Ga50 Sb50'
_cell_volume 2744.47634816
_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 0.64154621 0.20355544 0.78426944 1.0
Ga Ga1 1 0.12761172 0.92449520 0.20874040 1.0
Ga Ga2 1 0.76522862 0.70942646 0.02342759 1.0
Ga Ga3 1 0.17627196 0.35678648 0.88833717 1.0
Ga Ga4 1 0.41893508 0.48899739 0.02169766 1.0
Ga Ga5 1 0.18127941 0.75018126 0.14830639 1.0
Ga Ga6 1 0.84510603 0.88485623 0.92620071 1.0
Ga Ga7 1 0.36267998 0.44555414 0.51048777 1.0
Ga Ga8 1 0.10123453 0.75716352 0.69371356 1.0
Ga Ga9 1 0.89244639 0.47970560 0.94201474 1.0
Ga Ga10 1 0.04820202 0.79210234 0.34191186 1.0
Ga Ga11 1 0.70848307 0.76787199 0.71933003 1.0
Ga Ga12 1 0.85639051 0.28444699 0.02401879 1.0
Ga Ga13 1 0.55216693 0.67017237 0.27322959 1.0
Ga Ga14 1 0.67053994 0.24131177 0.96195623 1.0
Ga Ga15 1 0.70049219 0.86428084 0.11892319 1.0
Ga Ga16 1 0.02646175 0.90949463 0.50087833 1.0
Ga Ga17 1 0.48502238 0.57691187 0.43336885 1.0
Ga Ga18 1 0.98621045 0.31388679 0.86502854 1.0
Ga Ga19 1 0.63789548 0.68611031 0.57145105 1.0
Ga Ga20 1 0.22979168 0.87037848 0.37475821 1.0
Ga Ga21 1 0.69110672 0.14621123 0.46089461 1.0
Ga Ga22 1 0.81963344 0.34159529 0.22752082 1.0
Ga Ga23 1 0.97909815 0.59464511 0.29222650 1.0
Ga Ga24 1 0.30724697 0.65905265 0.44140893 1.0
Ga Ga25 1 0.71718429 0.85826460 0.43754069 1.0
Ga Ga26 1 0.87421644 0.75134167 0.42770387 1.0
Ga Ga27 1 0.52870110 0.30371011 0.55776200 1.0
Ga Ga28 1 0.48618794 0.23589214 0.98089576 1.0
Ga Ga29 1 0.94903067 0.17561296 0.57740070 1.0
Ga Ga30 1 0.17928317 0.47405087 0.54201193 1.0
Ga Ga31 1 0.73254837 0.72688528 0.26722258 1.0
Ga Ga32 1 0.41238735 0.06748906 0.89968146 1.0
Ga Ga33 1 0.06544652 0.62019232 0.07311443 1.0
Ga Ga34 1 0.94112728 0.55012624 0.68633804 1.0
Ga Ga35 1 0.95916652 0.26107856 0.32437205 1.0
Ga Ga36 1 0.30801757 0.04326913 0.40717078 1.0
Ga Ga37 1 0.05740200 0.79679305 0.87928455 1.0
Ga Ga38 1 0.14002543 0.37505643 0.06321687 1.0
Ga Ga39 1 0.47006836 0.13302406 0.38133122 1.0
Ga Ga40 1 0.88851314 0.97301783 0.76734115 1.0
Ga Ga41 1 0.71488705 0.44057605 0.98758375 1.0
Ga Ga42 1 0.27396447 0.94540447 0.83763275 1.0
Ga Ga43 1 0.10087598 0.98728042 0.87391940 1.0
Ga Ga44 1 0.10824884 0.34171196 0.69869882 1.0
Ga Ga45 1 0.54036581 0.84023091 0.49435605 1.0
Ga Ga46 1 0.64798734 0.31566970 0.14692665 1.0
Ga Ga47 1 0.84158861 0.41562163 0.76196067 1.0
Ga Ga48 1 0.89432793 0.10941414 0.93477816 1.0
Ga Ga49 1 0.03589743 0.59511084 0.89602937 1.0
Sb Sb50 1 0.42285610 0.73739382 0.61895443 1.0
Sb Sb51 1 0.71998642 0.04699098 0.02255277 1.0
Sb Sb52 1 0.42773950 0.81175685 0.33871325 1.0
Sb Sb53 1 0.29118921 0.20684320 0.00992115 1.0
Sb Sb54 1 0.24325515 0.82941095 0.57233330 1.0
Sb Sb55 1 0.37147057 0.54923366 0.73314388 1.0
Sb Sb56 1 0.97927645 0.05457141 0.36106027 1.0
Sb Sb57 1 0.03992128 0.03711097 0.06388296 1.0
Sb Sb58 1 0.37263666 0.37170459 0.86864215 1.0
Sb Sb59 1 0.63826592 0.64110137 0.87595768 1.0
Sb Sb60 1 0.28529665 0.96724504 0.04978338 1.0
Sb Sb61 1 0.54596162 0.04215003 0.54443278 1.0
Sb Sb62 1 0.47093066 0.16869372 0.69304533 1.0
Sb Sb63 1 0.54053992 0.50307541 0.63099427 1.0
Sb Sb64 1 0.67037416 0.13472312 0.26793775 1.0
Sb Sb65 1 0.27130984 0.13680965 0.22292286 1.0
Sb Sb66 1 0.91231377 0.54147196 0.49022660 1.0
Sb Sb67 1 0.09365438 0.65967800 0.50066176 1.0
Sb Sb68 1 0.19018160 0.17662315 0.49870370 1.0
Sb Sb69 1 0.78983044 0.24867126 0.66759877 1.0
Sb Sb70 1 0.24038435 0.76724148 0.96134280 1.0
Sb Sb71 1 0.18901892 0.60513510 0.28666918 1.0
Sb Sb72 1 0.83723431 0.01969861 0.50432516 1.0
Sb Sb73 1 0.49264559 0.97459916 0.06463088 1.0
Sb Sb74 1 0.08870036 0.21925087 0.17541694 1.0
Sb Sb75 1 0.63705924 0.88227383 0.88538946 1.0
Sb Sb76 1 0.48375042 0.15924072 0.17686668 1.0
Sb Sb77 1 0.86581957 0.68867431 0.82138123 1.0
Sb Sb78 1 0.91673812 0.81338855 0.64652335 1.0
Sb Sb79 1 0.14745276 0.01641834 0.62690331 1.0
Sb Sb80 1 0.29422725 0.29842866 0.63555760 1.0
Sb Sb81 1 0.47651510 0.34409946 0.36966181 1.0
Sb Sb82 1 0.87120067 0.88167522 0.24409469 1.0
Sb Sb83 1 0.76492858 0.55247163 0.15316945 1.0
Sb Sb84 1 0.02118574 0.35062025 0.49671385 1.0
Sb Sb85 1 0.71118828 0.34012932 0.50461349 1.0
Sb Sb86 1 0.60884883 0.92468214 0.28343273 1.0
Sb Sb87 1 0.56176392 0.50371869 0.15347379 1.0
Sb Sb88 1 0.97014704 0.44746594 0.12715625 1.0
Sb Sb89 1 0.13045187 0.55632988 0.73573371 1.0
Sb Sb90 1 0.65341000 0.43078155 0.79800102 1.0
Sb Sb91 1 0.69398426 0.58908132 0.41422370 1.0
Sb Sb92 1 0.86036745 0.11778759 0.16372619 1.0
Sb Sb93 1 0.27873242 0.32978609 0.32151391 1.0
Sb Sb94 1 0.95557950 0.79860705 0.07183876 1.0
Sb Sb95 1 0.01741658 0.13120176 0.75777390 1.0
Sb Sb96 1 0.70081869 0.99192184 0.72070844 1.0
Sb Sb97 1 0.42938685 0.66344203 0.90182126 1.0
Sb Sb98 1 0.44212338 0.85213149 0.79462135 1.0
Sb Sb99 1 0.28197939 0.46481717 0.16176743 1.0