GaN
传统材料 TRAMP-ID: mp-1245150 · 空间群: P1 (#1)
基础信息
化学式
GaN
MP-ID
mp-1245150
元素数
2
位点数
100
密度
4.2884
g/cm³
体积
1,621.08
ų
晶胞参数 a
11.8722
Å
晶胞参数 b
11.8598
Å
晶胞参数 c
11.6024
Å
α 角
96.54
°
β 角
90.82
°
γ 角
92.58
°
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
0.06244
eV/atom
能量/原子
-10.22333
eV/atom
凸包距离
0.7325
eV/atom
未修正能量
-5.4261
eV/atom
体积/原子
16.21
ų
c/a 比
0.9773
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
0.500
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-1245150
参考引用
The crystal structure and related material properties of GaN were obtained from the Materials Project database (MP-ID: mp-1245150, 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_GaN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.87224435
_cell_length_b 11.85982567
_cell_length_c 11.60243706
_cell_angle_alpha 96.53678982
_cell_angle_beta 90.81675848
_cell_angle_gamma 92.58298870
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaN
_chemical_formula_sum 'Ga50 N50'
_cell_volume 1621.07626034
_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 0.13673012 0.64834649 0.55605585 1.0
Ga Ga1 1 0.26162122 0.40152919 0.40115131 1.0
Ga Ga2 1 0.05189806 0.65460591 0.87020392 1.0
Ga Ga3 1 0.90673440 0.72812642 0.66148008 1.0
Ga Ga4 1 0.37910632 0.21147073 0.17990761 1.0
Ga Ga5 1 0.52467605 0.55760622 0.75505572 1.0
Ga Ga6 1 0.59673190 0.76907933 0.64531489 1.0
Ga Ga7 1 0.17557540 0.81935732 0.23290591 1.0
Ga Ga8 1 0.44425373 0.55688145 0.25620232 1.0
Ga Ga9 1 0.92985639 0.01474665 0.24805500 1.0
Ga Ga10 1 0.27482894 0.82632686 0.90372159 1.0
Ga Ga11 1 0.13753205 0.01139945 0.05890800 1.0
Ga Ga12 1 0.87008867 0.50662601 0.85449087 1.0
Ga Ga13 1 0.73951217 0.23487113 0.88063640 1.0
Ga Ga14 1 0.99795789 0.27139940 0.38948185 1.0
Ga Ga15 1 0.51538900 0.82770079 0.86423280 1.0
Ga Ga16 1 0.75803137 0.13971883 0.41804303 1.0
Ga Ga17 1 0.60944111 0.66985732 0.94905748 1.0
Ga Ga18 1 0.77376140 0.59821077 0.09491439 1.0
Ga Ga19 1 0.94450460 0.04862951 0.54188217 1.0
Ga Ga20 1 0.99270577 0.81909161 0.40916090 1.0
Ga Ga21 1 0.50469514 0.76894125 0.19718540 1.0
Ga Ga22 1 0.78708051 0.45518095 0.32585139 1.0
Ga Ga23 1 0.57831705 0.37930194 0.33331664 1.0
Ga Ga24 1 0.32898253 0.34889011 0.61194532 1.0
Ga Ga25 1 0.61035663 0.03130158 0.24959597 1.0
Ga Ga26 1 0.08892729 0.22116527 0.16632646 1.0
Ga Ga27 1 0.05196925 0.48327943 0.32461019 1.0
Ga Ga28 1 0.27007545 0.66483441 0.33342562 1.0
Ga Ga29 1 0.83596758 0.95921701 0.01717058 1.0
Ga Ga30 1 0.91032475 0.37899099 0.06352718 1.0
Ga Ga31 1 0.45187312 0.56874593 0.51851710 1.0
Ga Ga32 1 0.94105403 0.23138437 0.70738171 1.0
Ga Ga33 1 0.91161589 0.46233173 0.58180640 1.0
Ga Ga34 1 0.39699810 0.92803277 0.10789592 1.0
Ga Ga35 1 0.95143770 0.13093371 0.91982602 1.0
Ga Ga36 1 0.77760139 0.98770277 0.78795857 1.0
Ga Ga37 1 0.81207761 0.76863073 0.85826780 1.0
Ga Ga38 1 0.37001187 0.77916950 0.56709296 1.0
Ga Ga39 1 0.99894840 0.66669414 0.25004965 1.0
Ga Ga40 1 0.78600900 0.20061585 0.17918072 1.0
Ga Ga41 1 0.75195152 0.81420068 0.20424325 1.0
Ga Ga42 1 0.04540585 0.92865997 0.80130215 1.0
Ga Ga43 1 0.28496703 0.62852332 0.70840473 1.0
Ga Ga44 1 0.31520695 0.04213692 0.32117160 1.0
Ga Ga45 1 0.06428180 0.53811483 0.06039006 1.0
Ga Ga46 1 0.23235374 0.89226944 0.46569782 1.0
Ga Ga47 1 0.57501088 0.83150457 0.44624830 1.0
Ga Ga48 1 0.73453584 0.58193322 0.52027848 1.0
Ga Ga49 1 0.98829429 0.78592589 0.05080438 1.0
N N50 1 0.24697037 0.09147016 0.66051608 1.0
N N51 1 0.69841565 0.30830145 0.59777870 1.0
N N52 1 0.53167027 0.20730107 0.43478339 1.0
N N53 1 0.97501917 0.97478212 0.39425117 1.0
N N54 1 0.18375401 0.55515575 0.41347542 1.0
N N55 1 0.17034563 0.94413689 0.90503009 1.0
N N56 1 0.80368409 0.46331528 0.16331536 1.0
N N57 1 0.20649198 0.68240685 0.84212297 1.0
N N58 1 0.74262313 0.79586664 0.38448299 1.0
N N59 1 0.38216608 0.58189920 0.01359814 1.0
N N60 1 0.99695865 0.60402558 0.61352362 1.0
N N61 1 0.67142154 0.84920338 0.78274650 1.0
N N62 1 0.07021062 0.29783746 0.57234873 1.0
N N63 1 0.60457216 0.39054906 0.97591669 1.0
N N64 1 0.18697704 0.39533801 0.81121937 1.0
N N65 1 0.15665141 0.35533854 0.58377032 1.0
N N66 1 0.53776578 0.02849346 0.93164432 1.0
N N67 1 0.61573212 0.02410600 0.57846459 1.0
N N68 1 0.92269769 0.41488697 0.40795314 1.0
N N69 1 0.63922416 0.70181381 0.12144127 1.0
N N70 1 0.26950364 0.35959056 0.03179493 1.0
N N71 1 0.22433018 0.42997614 0.08213190 1.0
N N72 1 0.42886192 0.23890202 0.81240198 1.0
N N73 1 0.87988778 0.72129431 0.15777162 1.0
N N74 1 0.09342161 0.82359032 0.54996620 1.0
N N75 1 0.24307323 0.95326797 0.17379724 1.0
N N76 1 0.59943272 0.60194401 0.60528814 1.0
N N77 1 0.53859428 0.89988095 0.31616540 1.0
N N78 1 0.01375122 0.86664399 0.63158119 1.0
N N79 1 0.51651242 0.39935699 0.15948386 1.0
N N80 1 0.56012564 0.05956055 0.65058583 1.0
N N81 1 0.98860865 0.95039032 0.10110860 1.0
N N82 1 0.82014292 0.78548824 0.45149375 1.0
N N83 1 0.94188503 0.17854919 0.25127635 1.0
N N84 1 0.46607127 0.07587706 0.18817443 1.0
N N85 1 0.13257364 0.33281105 0.30426990 1.0
N N86 1 0.36891970 0.67594168 0.02629018 1.0
N N87 1 0.56358099 0.39371826 0.06680832 1.0
N N88 1 0.64204145 0.31222249 0.67542995 1.0
N N89 1 0.84478513 0.22501781 0.01930555 1.0
N N90 1 0.76206096 0.97381966 0.17903041 1.0
N N91 1 0.16726317 0.10413402 0.70991310 1.0
N N92 1 0.45810711 0.18628098 0.49141959 1.0
N N93 1 0.09825734 0.36883920 0.83282524 1.0
N N94 1 0.43522927 0.45333358 0.38120207 1.0
N N95 1 0.38581999 0.50586661 0.66032631 1.0
N N96 1 0.43495409 0.76332022 0.72069310 1.0
N N97 1 0.61334529 0.08278635 0.96849137 1.0
N N98 1 0.38404819 0.18708012 0.87488098 1.0
N N99 1 0.76546884 0.62214499 0.92344016 1.0