GaN
传统材料 TRAMP-ID: mp-1245326 · 空间群: P1 (#1)
基础信息
化学式
GaN
MP-ID
mp-1245326
元素数
2
位点数
100
密度
4.6779
g/cm³
体积
1,486.10
ų
晶胞参数 a
11.5728
Å
晶胞参数 b
11.2438
Å
晶胞参数 c
11.4599
Å
α 角
93.73
°
β 角
92.87
°
γ 角
90.32
°
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
0.03419
eV/atom
能量/原子
-10.25157
eV/atom
凸包距离
0.7042
eV/atom
未修正能量
-5.4544
eV/atom
体积/原子
14.86
ų
c/a 比
0.9902
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-1245326
参考引用
The crystal structure and related material properties of GaN were obtained from the Materials Project database (MP-ID: mp-1245326, 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 11.57282338
_cell_length_b 11.24382238
_cell_length_c 11.45986326
_cell_angle_alpha 93.73047987
_cell_angle_beta 92.87050886
_cell_angle_gamma 90.31859258
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaN
_chemical_formula_sum 'Ga50 N50'
_cell_volume 1486.10428462
_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 0.03922768 0.99326088 0.44250377 1.0
Ga Ga1 1 0.10575020 0.74589709 0.32547180 1.0
Ga Ga2 1 0.77833160 0.82027051 0.01566540 1.0
Ga Ga3 1 0.05229475 0.84255970 0.93335311 1.0
Ga Ga4 1 0.20725863 0.21998967 0.14394947 1.0
Ga Ga5 1 0.26444401 0.96488355 0.78419939 1.0
Ga Ga6 1 0.56181035 0.75960553 0.75356784 1.0
Ga Ga7 1 0.94291961 0.20872121 0.28307196 1.0
Ga Ga8 1 0.25620451 0.08284916 0.54975778 1.0
Ga Ga9 1 0.46510615 0.07955798 0.19963018 1.0
Ga Ga10 1 0.26978639 0.84139752 0.48065920 1.0
Ga Ga11 1 0.33459806 0.99197080 0.99337387 1.0
Ga Ga12 1 0.48840481 0.30288925 0.18032036 1.0
Ga Ga13 1 0.74628379 0.44491403 0.18789611 1.0
Ga Ga14 1 0.10975377 0.36350735 0.45479812 1.0
Ga Ga15 1 0.62107581 0.97182744 0.97479942 1.0
Ga Ga16 1 0.06750905 0.07205272 0.73929042 1.0
Ga Ga17 1 0.42299767 0.51580103 0.77513214 1.0
Ga Ga18 1 0.00656651 0.77247152 0.58663980 1.0
Ga Ga19 1 0.05564095 0.44591783 0.23926497 1.0
Ga Ga20 1 0.68059078 0.02702346 0.42427025 1.0
Ga Ga21 1 0.49987854 0.30246405 0.71498248 1.0
Ga Ga22 1 0.91376480 0.54661132 0.37652985 1.0
Ga Ga23 1 0.79342867 0.18646074 0.90780273 1.0
Ga Ga24 1 0.30630803 0.26630304 0.40086728 1.0
Ga Ga25 1 0.33796053 0.71760963 0.91287687 1.0
Ga Ga26 1 0.92745055 0.64639826 0.07947250 1.0
Ga Ga27 1 0.26474912 0.49256533 0.26810724 1.0
Ga Ga28 1 0.45753531 0.78180324 0.11582597 1.0
Ga Ga29 1 0.71923701 0.13914313 0.18874581 1.0
Ga Ga30 1 0.90112387 0.43747405 0.62504127 1.0
Ga Ga31 1 0.95720818 0.17430797 0.57281506 1.0
Ga Ga32 1 0.51502990 0.01124142 0.67793872 1.0
Ga Ga33 1 0.69461707 0.63871368 0.53957031 1.0
Ga Ga34 1 0.23183580 0.93181332 0.22096407 1.0
Ga Ga35 1 0.13873522 0.59468392 0.65830132 1.0
Ga Ga36 1 0.66665860 0.47219539 0.70099276 1.0
Ga Ga37 1 0.72978061 0.91648380 0.70953385 1.0
Ga Ga38 1 0.86797380 0.68345254 0.76759430 1.0
Ga Ga39 1 0.85150465 0.81383658 0.32433303 1.0
Ga Ga40 1 0.75704872 0.33828673 0.43113890 1.0
Ga Ga41 1 0.94488995 0.30841785 0.03043372 1.0
Ga Ga42 1 0.97099699 0.94318645 0.15049692 1.0
Ga Ga43 1 0.71884497 0.19763006 0.69095397 1.0
Ga Ga44 1 0.61279233 0.63945902 0.99727499 1.0
Ga Ga45 1 0.30101125 0.76604995 0.68521913 1.0
Ga Ga46 1 0.35498471 0.69770147 0.29286501 1.0
Ga Ga47 1 0.49799032 0.71596593 0.47127577 1.0
Ga Ga48 1 0.60661768 0.35754147 0.94728909 1.0
Ga Ga49 1 0.78674080 0.47943607 0.92161271 1.0
N N50 1 0.58938014 0.23594745 0.43074035 1.0
N N51 1 0.44204589 0.23091114 0.88348957 1.0
N N52 1 0.44294463 0.01172172 0.36274272 1.0
N N53 1 0.66856538 0.03705908 0.60406826 1.0
N N54 1 0.96046734 0.71369884 0.41021242 1.0
N N55 1 0.72504622 0.74229102 0.68689559 1.0
N N56 1 0.81978408 0.27550010 0.58184217 1.0
N N57 1 0.45455604 0.77309885 0.62113002 1.0
N N58 1 0.86376283 0.04658704 0.25299417 1.0
N N59 1 0.35941336 0.45270732 0.00217247 1.0
N N60 1 0.59029437 0.40555213 0.10661154 1.0
N N61 1 0.50408699 0.65134778 0.86070391 1.0
N N62 1 0.30554018 0.52297110 0.51674636 1.0
N N63 1 0.80165678 0.50519023 0.49276110 1.0
N N64 1 0.24736116 0.29011283 0.70034454 1.0
N N65 1 0.88304046 0.95183679 0.78739257 1.0
N N66 1 0.04549359 0.27541778 0.17024982 1.0
N N67 1 0.68631589 0.72640769 0.31285790 1.0
N N68 1 0.36207021 0.05316668 0.67596101 1.0
N N69 1 0.90428019 0.73175645 0.93157435 1.0
N N70 1 0.14576558 0.76702186 0.08726653 1.0
N N71 1 0.09305373 0.69650617 0.14218507 1.0
N N72 1 0.39099183 0.19404487 0.95721284 1.0
N N73 1 0.08585513 0.92010021 0.29097156 1.0
N N74 1 0.58468615 0.43753172 0.34700042 1.0
N N75 1 0.27970355 0.61016326 0.76646257 1.0
N N76 1 0.05757251 0.45766284 0.58808101 1.0
N N77 1 0.48712680 0.95021648 0.07420988 1.0
N N78 1 0.52115526 0.49804718 0.39586404 1.0
N N79 1 0.08759808 0.54542079 0.89740301 1.0
N N80 1 0.65880368 0.64413687 0.25080554 1.0
N N81 1 0.02472248 0.20923703 0.43054511 1.0
N N82 1 0.85384864 0.99061774 0.36298998 1.0
N N83 1 0.37764919 0.46273298 0.54979822 1.0
N N84 1 0.28511872 0.06731637 0.14440860 1.0
N N85 1 0.86936299 0.79025191 0.16102865 1.0
N N86 1 0.32033930 0.53441865 0.04690947 1.0
N N87 1 0.09789089 0.47572145 0.96263992 1.0
N N88 1 0.16515893 0.20139996 0.95561793 1.0
N N89 1 0.87998769 0.47714879 0.07254922 1.0
N N90 1 0.78854937 0.29045562 0.26940051 1.0
N N91 1 0.50783624 0.23616370 0.48603708 1.0
N N92 1 0.35393448 0.95176091 0.36173302 1.0
N N93 1 0.19453811 0.35481192 0.75332628 1.0
N N94 1 0.91222300 0.05132753 0.83044713 1.0
N N95 1 0.69129516 0.12566909 0.01951782 1.0
N N96 1 0.59140206 0.93038619 0.80718836 1.0
N N97 1 0.08107405 0.22813780 0.90301793 1.0
N N98 1 0.32682080 0.32788909 0.23638937 1.0
N N99 1 0.83248684 0.50834735 0.76432511 1.0