GaN
传统材料 TRAMP-ID: mp-1245148 · 空间群: P1 (#1)
基础信息
化学式
GaN
MP-ID
mp-1245148
元素数
2
位点数
100
密度
4.7251
g/cm³
体积
1,471.26
ų
晶胞参数 a
11.8378
Å
晶胞参数 b
10.9003
Å
晶胞参数 c
11.4163
Å
α 角
87.40
°
β 角
90.43
°
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
0.00739
eV/atom
能量/原子
-10.27838
eV/atom
凸包距离
0.6774
eV/atom
未修正能量
-5.4812
eV/atom
体积/原子
14.71
ų
c/a 比
0.9644
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-1245148
参考引用
The crystal structure and related material properties of GaN were obtained from the Materials Project database (MP-ID: mp-1245148, 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 11.83776906
_cell_length_b 10.90028283
_cell_length_c 11.41627871
_cell_angle_alpha 87.40403372
_cell_angle_beta 90.42842987
_cell_angle_gamma 91.15894758
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaN
_chemical_formula_sum 'Ga50 N50'
_cell_volume 1471.25533496
_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 0.24795565 0.31052889 0.44109968 1.0
Ga Ga1 1 0.11861371 0.43694109 0.28155930 1.0
Ga Ga2 1 0.87031622 0.85634733 0.03914609 1.0
Ga Ga3 1 0.94495307 0.80959833 0.77290213 1.0
Ga Ga4 1 0.13476118 0.27646254 0.09013998 1.0
Ga Ga5 1 0.60754575 0.07868210 0.68329087 1.0
Ga Ga6 1 0.51101461 0.74074250 0.76604453 1.0
Ga Ga7 1 0.91572900 0.25701885 0.33360792 1.0
Ga Ga8 1 0.45352731 0.09863454 0.41163446 1.0
Ga Ga9 1 0.53747024 0.08044976 0.15540449 1.0
Ga Ga10 1 0.14693860 0.81893569 0.47298067 1.0
Ga Ga11 1 0.28429760 0.96153665 0.20486382 1.0
Ga Ga12 1 0.39507189 0.26699382 0.21012682 1.0
Ga Ga13 1 0.67790434 0.33598767 0.23778894 1.0
Ga Ga14 1 0.04666121 0.44691782 0.50535623 1.0
Ga Ga15 1 0.64945964 0.01661008 0.91429441 1.0
Ga Ga16 1 0.24310072 0.03518776 0.58216665 1.0
Ga Ga17 1 0.30477222 0.55762629 0.87543240 1.0
Ga Ga18 1 0.93052664 0.68917749 0.57306930 1.0
Ga Ga19 1 0.29419473 0.51669870 0.09291142 1.0
Ga Ga20 1 0.67519640 0.13985257 0.43662960 1.0
Ga Ga21 1 0.49975315 0.27240442 0.58817541 1.0
Ga Ga22 1 0.91780450 0.59317449 0.34930100 1.0
Ga Ga23 1 0.90215021 0.12542844 0.91939585 1.0
Ga Ga24 1 0.44406024 0.46456187 0.37512098 1.0
Ga Ga25 1 0.14816996 0.77017089 0.97137914 1.0
Ga Ga26 1 0.80249394 0.58676736 0.16273249 1.0
Ga Ga27 1 0.26760140 0.65911418 0.33411107 1.0
Ga Ga28 1 0.60598256 0.79166148 0.02064398 1.0
Ga Ga29 1 0.84486946 0.07469940 0.16042632 1.0
Ga Ga30 1 0.89383929 0.47364476 0.75988505 1.0
Ga Ga31 1 0.89345404 0.20206355 0.62712951 1.0
Ga Ga32 1 0.49322337 0.92037394 0.56135785 1.0
Ga Ga33 1 0.65558618 0.63769537 0.53221905 1.0
Ga Ga34 1 0.06109946 0.81039931 0.23155975 1.0
Ga Ga35 1 0.13314260 0.56015261 0.73817028 1.0
Ga Ga36 1 0.57571905 0.49503072 0.76510535 1.0
Ga Ga37 1 0.72980105 0.81406459 0.73924815 1.0
Ga Ga38 1 0.80661433 0.63477446 0.88248437 1.0
Ga Ga39 1 0.86852795 0.88168761 0.36334845 1.0
Ga Ga40 1 0.80070270 0.40063865 0.51286791 1.0
Ga Ga41 1 0.89730225 0.32093303 0.07122016 1.0
Ga Ga42 1 0.14018535 0.05306899 0.05133902 1.0
Ga Ga43 1 0.82430641 0.94695736 0.57150811 1.0
Ga Ga44 1 0.49385276 0.59149138 0.02498629 1.0
Ga Ga45 1 0.25040806 0.82406303 0.69127719 1.0
Ga Ga46 1 0.36129126 0.80476699 0.06626075 1.0
Ga Ga47 1 0.36573270 0.63108301 0.55156839 1.0
Ga Ga48 1 0.73179475 0.25336719 0.81334353 1.0
Ga Ga49 1 0.61344657 0.40264592 0.02400194 1.0
N N50 1 0.51021650 0.53245020 0.52300569 1.0
N N51 1 0.36136149 0.98137402 0.83555716 1.0
N N52 1 0.44910439 0.74467903 0.32474056 1.0
N N53 1 0.75286881 0.10356585 0.58668825 1.0
N N54 1 0.98907159 0.75450446 0.40740925 1.0
N N55 1 0.65118518 0.65868989 0.70025681 1.0
N N56 1 0.81146922 0.34495334 0.68318425 1.0
N N57 1 0.40756458 0.78034108 0.63697786 1.0
N N58 1 0.05771541 0.09496706 0.35124862 1.0
N N59 1 0.38669255 0.30077114 0.86840223 1.0
N N60 1 0.55408517 0.26398677 0.14963551 1.0
N N61 1 0.46212651 0.59218410 0.84883234 1.0
N N62 1 0.25165102 0.51179776 0.62473102 1.0
N N63 1 0.80368187 0.58023110 0.48694545 1.0
N N64 1 0.20703108 0.21437466 0.72809761 1.0
N N65 1 0.07639541 0.99938881 0.61324180 1.0
N N66 1 0.00903365 0.32741228 0.20678677 1.0
N N67 1 0.68042347 0.86692086 0.38083124 1.0
N N68 1 0.41599049 0.28399775 0.42929800 1.0
N N69 1 0.77390974 0.70835065 0.03332262 1.0
N N70 1 0.09942895 0.67814860 0.12512742 1.0
N N71 1 0.17160450 0.59630946 0.18267875 1.0
N N72 1 0.31584146 0.02296622 0.91057325 1.0
N N73 1 0.20774984 0.83610384 0.31043913 1.0
N N74 1 0.64761400 0.59650053 0.26759991 1.0
N N75 1 0.19831281 0.70343669 0.81667068 1.0
N N76 1 0.00198920 0.54171648 0.64203257 1.0
N N77 1 0.55727884 0.96357884 0.04836715 1.0
N N78 1 0.59962875 0.50073267 0.27729854 1.0
N N79 1 0.02943368 0.43984091 0.86962300 1.0
N N80 1 0.62682830 0.81743044 0.45883791 1.0
N N81 1 0.95015086 0.30302662 0.49265604 1.0
N N82 1 0.15203906 0.11021328 0.36166103 1.0
N N83 1 0.20911682 0.43659130 0.54979863 1.0
N N84 1 0.39837771 0.08707919 0.24776832 1.0
N N85 1 0.92387423 0.90455951 0.19857019 1.0
N N86 1 0.38524605 0.24376411 0.95378702 1.0
N N87 1 0.03065690 0.39599921 0.96998733 1.0
N N88 1 0.03737854 0.00882134 0.93176969 1.0
N N89 1 0.76444546 0.41846532 0.10981751 1.0
N N90 1 0.75230690 0.29501179 0.37910865 1.0
N N91 1 0.53525879 0.43913350 0.61145488 1.0
N N92 1 0.48049918 0.80133038 0.24435961 1.0
N N93 1 0.12814588 0.23327127 0.77577496 1.0
N N94 1 0.98077663 0.03081486 0.62755260 1.0
N N95 1 0.79566962 0.01003227 0.00250477 1.0
N N96 1 0.61160931 0.85011802 0.85167215 1.0
N N97 1 0.00745973 0.88055194 0.92860397 1.0
N N98 1 0.26460049 0.35623102 0.16529347 1.0
N N99 1 0.63456108 0.37155913 0.86730979 1.0