GaN
传统材料 TRAMP-ID: mp-1244998 · 空间群: P1 (#1)
基础信息
化学式
GaN
MP-ID
mp-1244998
元素数
2
位点数
100
密度
4.4418
g/cm³
体积
1,565.09
ų
晶胞参数 a
11.5317
Å
晶胞参数 b
11.6425
Å
晶胞参数 c
11.6911
Å
α 角
92.45
°
β 角
86.40
°
γ 角
90.04
°
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
0.09815
eV/atom
能量/原子
-10.18762
eV/atom
凸包距离
0.7682
eV/atom
未修正能量
-5.3904
eV/atom
体积/原子
15.65
ų
c/a 比
1.0138
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-1244998
参考引用
The crystal structure and related material properties of GaN were obtained from the Materials Project database (MP-ID: mp-1244998, 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 11.53170216
_cell_length_b 11.64254486
_cell_length_c 11.69105154
_cell_angle_alpha 92.44871753
_cell_angle_beta 86.39916260
_cell_angle_gamma 90.03897451
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaN
_chemical_formula_sum 'Ga50 N50'
_cell_volume 1565.08906496
_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 0.05687127 0.66456972 0.59110132 1.0
Ga Ga1 1 0.25474979 0.41426197 0.37122736 1.0
Ga Ga2 1 0.08251455 0.62649737 0.82912321 1.0
Ga Ga3 1 0.81881445 0.77348820 0.67481432 1.0
Ga Ga4 1 0.32551023 0.17819624 0.14588632 1.0
Ga Ga5 1 0.43589264 0.47389750 0.81081401 1.0
Ga Ga6 1 0.58979555 0.71811608 0.76797979 1.0
Ga Ga7 1 0.22412108 0.91179293 0.18403816 1.0
Ga Ga8 1 0.43750815 0.54957044 0.35153567 1.0
Ga Ga9 1 0.93002642 0.03243548 0.24451183 1.0
Ga Ga10 1 0.26363529 0.73797134 0.00313652 1.0
Ga Ga11 1 0.13483595 0.07996925 0.04061554 1.0
Ga Ga12 1 0.73525411 0.49133673 0.77994529 1.0
Ga Ga13 1 0.76167532 0.25018107 0.89113410 1.0
Ga Ga14 1 0.01026931 0.24311469 0.33331590 1.0
Ga Ga15 1 0.49547514 0.95265271 0.77979455 1.0
Ga Ga16 1 0.75938679 0.25318303 0.37293505 1.0
Ga Ga17 1 0.54223078 0.73551481 0.01154079 1.0
Ga Ga18 1 0.71075937 0.54610703 0.12516972 1.0
Ga Ga19 1 0.94214686 0.10932596 0.52776768 1.0
Ga Ga20 1 0.04387674 0.71376117 0.33586112 1.0
Ga Ga21 1 0.50702599 0.77525129 0.27783702 1.0
Ga Ga22 1 0.71126792 0.46290139 0.39832519 1.0
Ga Ga23 1 0.50298321 0.33559398 0.24287991 1.0
Ga Ga24 1 0.42765834 0.33012646 0.49801752 1.0
Ga Ga25 1 0.62352108 0.06530160 0.22015142 1.0
Ga Ga26 1 0.15204430 0.32801142 0.12153007 1.0
Ga Ga27 1 0.98498903 0.50571859 0.33955737 1.0
Ga Ga28 1 0.27669725 0.71601670 0.42351744 1.0
Ga Ga29 1 0.85814049 0.03665263 0.03001237 1.0
Ga Ga30 1 0.93450211 0.46981539 0.93489835 1.0
Ga Ga31 1 0.51735095 0.54484580 0.58681611 1.0
Ga Ga32 1 0.90811697 0.17634296 0.73226425 1.0
Ga Ga33 1 0.98798955 0.38049753 0.58932147 1.0
Ga Ga34 1 0.44439438 0.93679298 0.05745985 1.0
Ga Ga35 1 0.00041904 0.18838028 0.92417414 1.0
Ga Ga36 1 0.74058032 0.94269080 0.82846279 1.0
Ga Ga37 1 0.80916112 0.70033516 0.93680865 1.0
Ga Ga38 1 0.30640255 0.75063158 0.65371624 1.0
Ga Ga39 1 0.97089674 0.58059272 0.12681362 1.0
Ga Ga40 1 0.83260140 0.32395924 0.14272398 1.0
Ga Ga41 1 0.75658006 0.81352250 0.16534553 1.0
Ga Ga42 1 0.99149441 0.87102734 0.81292760 1.0
Ga Ga43 1 0.24055520 0.47362280 0.59917229 1.0
Ga Ga44 1 0.39318412 0.05004575 0.32284038 1.0
Ga Ga45 1 0.22572158 0.48739428 0.94867477 1.0
Ga Ga46 1 0.11708323 0.91474156 0.38359992 1.0
Ga Ga47 1 0.49918502 0.75823107 0.51048616 1.0
Ga Ga48 1 0.80372678 0.56767286 0.56691277 1.0
Ga Ga49 1 0.01528818 0.82944318 0.04000457 1.0
N N50 1 0.27909229 0.02656772 0.76365315 1.0
N N51 1 0.63216161 0.31009066 0.64685760 1.0
N N52 1 0.61298179 0.14920205 0.41056103 1.0
N N53 1 0.01559143 0.05005731 0.38249776 1.0
N N54 1 0.96630934 0.53430699 0.51336638 1.0
N N55 1 0.12121841 0.76749887 0.92254255 1.0
N N56 1 0.83500357 0.48025514 0.22849624 1.0
N N57 1 0.19226912 0.62058559 0.68332609 1.0
N N58 1 0.76065175 0.74696033 0.37549954 1.0
N N59 1 0.18274319 0.68180876 0.17883058 1.0
N N60 1 0.96096551 0.71336298 0.74220094 1.0
N N61 1 0.67546884 0.78488992 0.89537437 1.0
N N62 1 0.17507390 0.17043826 0.53473320 1.0
N N63 1 0.61725600 0.34521940 0.92201567 1.0
N N64 1 0.15514149 0.30007226 0.82343173 1.0
N N65 1 0.27216907 0.15743974 0.52607702 1.0
N N66 1 0.61218320 0.02857651 0.97188686 1.0
N N67 1 0.64834081 0.95360860 0.50030813 1.0
N N68 1 0.89924900 0.25829007 0.46366169 1.0
N N69 1 0.63256579 0.70377747 0.15634399 1.0
N N70 1 0.43785515 0.53659739 0.11114516 1.0
N N71 1 0.34573009 0.50773896 0.09742999 1.0
N N72 1 0.44231241 0.20095985 0.83925275 1.0
N N73 1 0.88549470 0.73571874 0.08270531 1.0
N N74 1 0.06537483 0.86273264 0.55355485 1.0
N N75 1 0.29486702 0.02691541 0.07077278 1.0
N N76 1 0.58069124 0.55681800 0.74322457 1.0
N N77 1 0.50198905 0.93658855 0.22306296 1.0
N N78 1 0.01950010 0.93014664 0.62196484 1.0
N N79 1 0.64679218 0.38216267 0.11723182 1.0
N N80 1 0.65672751 0.99032991 0.58958249 1.0
N N81 1 0.04968693 0.96259754 0.13102930 1.0
N N82 1 0.82081604 0.80542019 0.42434179 1.0
N N83 1 0.91807764 0.19732753 0.20572966 1.0
N N84 1 0.47912063 0.17324698 0.20466634 1.0
N N85 1 0.10485817 0.37729907 0.29718323 1.0
N N86 1 0.23029494 0.64257548 0.25592918 1.0
N N87 1 0.58820481 0.38934703 0.01792678 1.0
N N88 1 0.67036263 0.22183681 0.64597767 1.0
N N89 1 0.89358880 0.31475907 0.98144912 1.0
N N90 1 0.77914046 0.97484124 0.18697349 1.0
N N91 1 0.22161008 0.95635677 0.72813947 1.0
N N92 1 0.51146058 0.15865141 0.44336505 1.0
N N93 1 0.20623454 0.28702893 0.73847821 1.0
N N94 1 0.54443212 0.45326371 0.43732396 1.0
N N95 1 0.39639552 0.43362123 0.64130007 1.0
N N96 1 0.47462040 0.80474048 0.69382919 1.0
N N97 1 0.65324625 0.10574411 0.02415567 1.0
N N98 1 0.38550943 0.22640445 0.91812180 1.0
N N99 1 0.77463055 0.54264000 0.94810206 1.0