GaN
传统材料 TRAMP-ID: mp-1245286 · 空间群: P1 (#1)
基础信息
化学式
GaN
MP-ID
mp-1245286
元素数
2
位点数
100
密度
4.6339
g/cm³
体积
1,500.20
ų
晶胞参数 a
11.8256
Å
晶胞参数 b
11.4521
Å
晶胞参数 c
11.1395
Å
α 角
93.25
°
β 角
94.05
°
γ 角
86.68
°
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
0.01459
eV/atom
能量/原子
-10.27117
eV/atom
凸包距离
0.6846
eV/atom
未修正能量
-5.4740
eV/atom
体积/原子
15.00
ų
c/a 比
0.9420
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
0.0111
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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-1245286
参考引用
The crystal structure and related material properties of GaN were obtained from the Materials Project database (MP-ID: mp-1245286, 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 11.82561816
_cell_length_b 11.45205295
_cell_length_c 11.13947311
_cell_angle_alpha 93.25321043
_cell_angle_beta 94.05141030
_cell_angle_gamma 86.68306275
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaN
_chemical_formula_sum 'Ga50 N50'
_cell_volume 1500.19931849
_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 0.05244904 0.70177871 0.65111541 1.0
Ga Ga1 1 0.20190624 0.60298642 0.49034399 1.0
Ga Ga2 1 0.18240694 0.55639077 0.00957943 1.0
Ga Ga3 1 0.83095073 0.82433833 0.57902683 1.0
Ga Ga4 1 0.16569186 0.27235471 0.11455496 1.0
Ga Ga5 1 0.51471836 0.53200806 0.74748202 1.0
Ga Ga6 1 0.49399379 0.82511904 0.79556169 1.0
Ga Ga7 1 0.09009598 0.00829848 0.09528347 1.0
Ga Ga8 1 0.50356472 0.41473922 0.46059209 1.0
Ga Ga9 1 0.85515622 0.07869783 0.19892191 1.0
Ga Ga10 1 0.30186106 0.86880999 0.91601882 1.0
Ga Ga11 1 0.19385560 0.07906886 0.81511946 1.0
Ga Ga12 1 0.70845999 0.38197367 0.91681407 1.0
Ga Ga13 1 0.86832978 0.29441393 0.07264558 1.0
Ga Ga14 1 0.97478487 0.23867840 0.35440476 1.0
Ga Ga15 1 0.41450108 0.06471371 0.79312450 1.0
Ga Ga16 1 0.90411399 0.03636971 0.53268266 1.0
Ga Ga17 1 0.58616928 0.64839871 0.00700728 1.0
Ga Ga18 1 0.63574387 0.57773712 0.39878043 1.0
Ga Ga19 1 0.65513883 0.01070574 0.64610198 1.0
Ga Ga20 1 0.03603380 0.73187664 0.37500946 1.0
Ga Ga21 1 0.60741553 0.73093386 0.23586058 1.0
Ga Ga22 1 0.88845351 0.34471779 0.62314186 1.0
Ga Ga23 1 0.59091270 0.19247786 0.90911794 1.0
Ga Ga24 1 0.36258469 0.26888203 0.32057718 1.0
Ga Ga25 1 0.60665094 0.92882454 0.04243038 1.0
Ga Ga26 1 0.05404243 0.49838605 0.15285800 1.0
Ga Ga27 1 0.92552511 0.53164392 0.42518067 1.0
Ga Ga28 1 0.43277919 0.92266962 0.52523507 1.0
Ga Ga29 1 0.86309664 0.01120577 0.95178056 1.0
Ga Ga30 1 0.94055958 0.54782923 0.85869883 1.0
Ga Ga31 1 0.64679738 0.27061553 0.62450738 1.0
Ga Ga32 1 0.98086369 0.15507311 0.73551417 1.0
Ga Ga33 1 0.14738333 0.39693331 0.50574043 1.0
Ga Ga34 1 0.36635967 0.09611565 0.05900807 1.0
Ga Ga35 1 0.08208943 0.31641347 0.88392608 1.0
Ga Ga36 1 0.60403801 0.75477635 0.55346089 1.0
Ga Ga37 1 0.71878690 0.68739659 0.82904575 1.0
Ga Ga38 1 0.20260649 0.50409307 0.73361331 1.0
Ga Ga39 1 0.82842230 0.55766350 0.18440992 1.0
Ga Ga40 1 0.75986101 0.34311512 0.35923207 1.0
Ga Ga41 1 0.84468076 0.79359104 0.06167777 1.0
Ga Ga42 1 0.92899819 0.83754343 0.81221043 1.0
Ga Ga43 1 0.41702925 0.26987768 0.68477548 1.0
Ga Ga44 1 0.43103753 0.95191554 0.27850102 1.0
Ga Ga45 1 0.36216218 0.64009855 0.95274242 1.0
Ga Ga46 1 0.06492393 0.94681988 0.31133616 1.0
Ga Ga47 1 0.35052746 0.67108967 0.63515375 1.0
Ga Ga48 1 0.76394893 0.59419593 0.62734779 1.0
Ga Ga49 1 0.11214342 0.76602057 0.96505697 1.0
N N50 1 0.26880760 0.09619751 0.52136102 1.0
N N51 1 0.50299091 0.06283014 0.97009283 1.0
N N52 1 0.58442430 0.12054762 0.26799289 1.0
N N53 1 0.94757051 0.06836968 0.36770447 1.0
N N54 1 0.93427188 0.69098434 0.51202166 1.0
N N55 1 0.09878770 0.48596379 0.86456669 1.0
N N56 1 0.77662680 0.50431390 0.33752362 1.0
N N57 1 0.34793542 0.57787827 0.77965413 1.0
N N58 1 0.75309308 0.86405072 0.36433526 1.0
N N59 1 0.25861516 0.75652878 0.16939724 1.0
N N60 1 0.50958475 0.69210254 0.67509435 1.0
N N61 1 0.61116142 0.79473085 0.91766491 1.0
N N62 1 0.12035521 0.26208224 0.28785686 1.0
N N63 1 0.88135253 0.49941678 0.70091721 1.0
N N64 1 0.19781451 0.25841205 0.77114089 1.0
N N65 1 0.19995322 0.29899277 0.36645960 1.0
N N66 1 0.75128499 0.11750077 0.86233731 1.0
N N67 1 0.51984522 0.07314276 0.50657305 1.0
N N68 1 0.98454881 0.37142885 0.48029184 1.0
N N69 1 0.73185949 0.68427167 0.12536226 1.0
N N70 1 0.36108161 0.54224034 0.28815437 1.0
N N71 1 0.34941060 0.49710046 0.19613064 1.0
N N72 1 0.41000934 0.37626247 0.91390742 1.0
N N73 1 0.00561514 0.86224742 0.04840145 1.0
N N74 1 0.16888970 0.86504947 0.58557509 1.0
N N75 1 0.22853167 0.01545387 0.99430620 1.0
N N76 1 0.63981083 0.53627449 0.87362227 1.0
N N77 1 0.53506809 0.86992504 0.17799153 1.0
N N78 1 0.26580927 0.85459206 0.60552292 1.0
N N79 1 0.54126769 0.31967609 0.13153695 1.0
N N80 1 0.50644009 0.17254231 0.54520950 1.0
N N81 1 0.95037472 0.12096151 0.06459063 1.0
N N82 1 0.82487061 0.85132300 0.30169701 1.0
N N83 1 0.83484634 0.25132693 0.23802702 1.0
N N84 1 0.32036025 0.22094229 0.15892826 1.0
N N85 1 0.98253839 0.59308140 0.27744976 1.0
N N86 1 0.29016181 0.77181629 0.26640091 1.0
N N87 1 0.59510653 0.38858807 0.17837433 1.0
N N88 1 0.76682495 0.28317364 0.76274752 1.0
N N89 1 0.91205011 0.45656389 0.06435847 1.0
N N90 1 0.77076429 0.95835766 0.08117027 1.0
N N91 1 0.17413000 0.09202907 0.52513489 1.0
N N92 1 0.66765839 0.10146704 0.32025572 1.0
N N93 1 0.25188157 0.32309354 0.70630341 1.0
N N94 1 0.75511117 0.29657232 0.51464948 1.0
N N95 1 0.51365652 0.39474570 0.63721298 1.0
N N96 1 0.50361736 0.95531782 0.69601773 1.0
N N97 1 0.81118890 0.18515588 0.80702472 1.0
N N98 1 0.33227730 0.36463764 0.96408217 1.0
N N99 1 0.87137702 0.70291850 0.90488556 1.0