W43N38
传统材料 TRAMP-ID: mp-674509 · 空间群: Cm (#8)
基础信息
化学式
W43N38
MP-ID
mp-674509
元素数
2
位点数
81
密度
13.2420
g/cm³
体积
1,058.04
ų
晶胞参数 a
7.9454
Å
晶胞参数 b
7.9454
Å
晶胞参数 c
151.2865
Å
α 角
20.74
°
β 角
20.74
°
γ 角
21.03
°
空间群
Cm
点群
m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
X 射线衍射
衍射图谱
横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å
衍射峰（Top 24）
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 1.89 | 46.7091 | 100.0 | (0,0,1) |
| 3.78 | 23.3546 | 1.1 | (0,0,2) |
| 11.35 | 7.7928 | 2.2 | (1,1,18) |
| 11.38 | 7.7755 | 21.7 | (1,1,19) |
| 11.72 | 7.5527 | 2.2 | (1,1,20) |
| 15.17 | 5.8386 | 1.2 | (0,0,8) |
| 22.87 | 3.8877 | 19.1 | (2,2,38) |
| 34.61 | 2.5918 | 19.5 | (3,3,57) |
| 36.14 | 2.4852 | 17.9 | (0,1,0) |
| 36.14 | 2.4852 | 17.9 | (1,0,0) |
| 36.55 | 2.4584 | 18.4 | (0,0,19) |
| 36.72 | 2.4473 | 6.4 | (1,0,19) |
| 36.72 | 2.4473 | 6.4 | (0,1,19) |
| 37.28 | 2.4119 | 5.1 | (1,1,0) |
| 40.87 | 2.2081 | 1.1 | (2,1,38) |
| 40.87 | 2.2081 | 1.1 | (1,2,38) |
| 41.52 | 2.1749 | 1.7 | (2,2,19) |
| 45.45 | 1.9958 | 9.7 | (2,3,38) |
| 45.45 | 1.9958 | 9.7 | (3,2,38) |
| 45.52 | 1.9927 | 9.0 | (2,2,57) |
| 47.81 | 1.9024 | 22.4 | (3,2,57) |
| 48.52 | 1.8764 | 10.6 | (3,3,38) |
| 53.82 | 1.7034 | 3.2 | (3,3,76) |
| 53.87 | 1.7019 | 2.7 | (3,4,57) |
能量属性
形成能/原子
0.04471
eV/atom
能量/原子
-31.50724
eV/atom
凸包距离
0.4805
eV/atom
未修正能量
-10.6461
eV/atom
体积/原子
13.06
ų
c/a 比
19.0408
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
0.0092
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
组成概览
元素组成（原子分数）
组成信息
主元 / 基质元素
W · 0.531
元素家族
N/A
溶质分数
0.469
间隙分数
0.469
传统材料特征
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.601
家族
Binary Alloy
基质元素
W · 0.531
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-674509
参考引用
The crystal structure and related material properties of W43N38 were obtained from the Materials Project database (MP-ID: mp-674509, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_W43N38
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94539901
_cell_length_b 7.94539926
_cell_length_c 151.28650206
_cell_angle_alpha 20.74338779
_cell_angle_beta 20.74338309
_cell_angle_gamma 21.02731532
_symmetry_Int_Tables_number 1
_chemical_formula_structural W43N38
_chemical_formula_sum 'W43 N38'
_cell_volume 1058.03840848
_cell_formula_units_Z 1
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
W W0 1 0.00962470 0.00962470 0.00002689 1.0
W W1 1 0.00185046 0.00185046 0.05239054 1.0
W W2 1 0.11866509 0.11866509 0.05900423 1.0
W W3 1 0.03638285 0.03638285 0.10273900 1.0
W W4 1 0.87871060 0.87871060 0.04632847 1.0
W W5 1 0.99695166 0.99695166 0.15944182 1.0
W W6 1 0.86779880 0.86779880 0.10029012 1.0
W W7 1 0.00972305 0.00972305 0.21043729 1.0
W W8 1 0.87794814 0.87794814 0.15203733 1.0
W W9 1 0.87462953 0.87462953 0.20490481 1.0
W W10 1 0.00841442 0.00841442 0.31586088 1.0
W W11 1 0.00815943 0.00815943 0.26353623 1.0
W W12 1 0.87447258 0.87447258 0.25743432 1.0
W W13 1 0.87602128 0.87602128 0.30989607 1.0
W W14 1 0.01277227 0.01277227 0.42076896 1.0
W W15 1 0.01190805 0.01190805 0.36825922 1.0
W W16 1 0.87569080 0.87569080 0.36255721 1.0
W W17 1 0.87570806 0.87570806 0.41518930 1.0
W W18 1 0.01246838 0.01246838 0.47343455 1.0
W W19 1 0.87456251 0.87456251 0.46796328 1.0
W W20 1 0.01415203 0.01415203 0.52586674 1.0
W W21 1 0.87271565 0.87271565 0.52085558 1.0
W W22 1 0.99444507 0.99444507 0.63301535 1.0
W W23 1 0.01198173 0.01198173 0.57900810 1.0
W W24 1 0.87232929 0.87232929 0.57359904 1.0
W W25 1 0.11194052 0.11194052 0.69116497 1.0
W W26 1 0.87583136 0.87583136 0.62555749 1.0
W W27 1 0.87574559 0.87574559 0.67801512 1.0
W W28 1 0.00211961 0.00211961 0.78925898 1.0
W W29 1 0.01179065 0.01179065 0.73667056 1.0
W W30 1 0.00033237 0.00033237 0.68402327 1.0
W W31 1 0.11550527 0.11550527 0.79619578 1.0
W W32 1 0.86770828 0.86770828 0.73163049 1.0
W W33 1 0.01779031 0.01779031 0.84134474 1.0
W W34 1 0.87618365 0.87618365 0.78340720 1.0
W W35 1 0.12502531 0.12502531 0.90045096 1.0
W W36 1 0.87233086 0.87233086 0.83641083 1.0
W W37 1 -0.00026998 -0.00026998 0.89477286 1.0
W W38 1 0.11315176 0.11315176 0.95422208 1.0
W W39 1 0.88458885 0.88458885 0.88788713 1.0
W W40 1 0.00581531 0.00581531 0.94663094 1.0
W W41 1 0.87623225 0.87623225 0.94126998 1.0
W W42 1 0.86633129 0.86633129 0.99514079 1.0
N N43 1 0.28144208 0.28144208 0.01330677 1.0
N N44 1 0.27027854 0.27027854 0.06699416 1.0
N N45 1 0.72464651 0.72464651 0.03840021 1.0
N N46 1 0.27734719 0.27734719 0.11899076 1.0
N N47 1 0.74574976 0.74574976 0.08915439 1.0
N N48 1 0.27286720 0.27286720 0.17218673 1.0
N N49 1 0.72950306 0.72950306 0.14180516 1.0
N N50 1 0.27021325 0.27021325 0.22490505 1.0
N N51 1 0.72184711 0.72184711 0.19616638 1.0
N N52 1 0.27249231 0.27249231 0.27728825 1.0
N N53 1 0.71764746 0.71764746 0.24895639 1.0
N N54 1 0.27256582 0.27256582 0.32990061 1.0
N N55 1 0.71963575 0.71963575 0.30148202 1.0
N N56 1 0.27267707 0.27267707 0.38250235 1.0
N N57 1 0.71868651 0.71868651 0.35418571 1.0
N N58 1 0.27165921 0.27165921 0.43523674 1.0
N N59 1 0.72023964 0.72023964 0.40667221 1.0
N N60 1 0.27105863 0.27105863 0.48796961 1.0
N N61 1 0.72038613 0.72038613 0.45923559 1.0
N N62 1 0.27076664 0.27076664 0.54070609 1.0
N N63 1 0.71942660 0.71942660 0.51197236 1.0
N N64 1 0.26890170 0.26890170 0.59357022 1.0
N N65 1 0.71742070 0.71742070 0.56482229 1.0
N N66 1 0.27815801 0.27815801 0.64500127 1.0
N N67 1 0.71409138 0.71409138 0.61752649 1.0
N N68 1 0.26863344 0.26863344 0.69863051 1.0
N N69 1 0.71209697 0.71209697 0.67128474 1.0
N N70 1 0.28140240 0.28140240 0.75005403 1.0
N N71 1 0.73381357 0.73381357 0.72158311 1.0
N N72 1 0.26906941 0.26906941 0.80399312 1.0
N N73 1 0.71990861 0.71990861 0.77571951 1.0
N N74 1 0.28154996 0.28154996 0.85558549 1.0
N N75 1 0.73810610 0.73810610 0.82649681 1.0
N N76 1 0.27723455 0.27723455 0.90836849 1.0
N N77 1 0.72278824 0.72278824 0.88073122 1.0
N N78 1 0.26911502 0.26911502 0.96191972 1.0
N N79 1 0.72280855 0.72280855 0.93362789 1.0
N N80 1 0.73752524 0.73752524 0.98416702 1.0
