Ag(H7O4)2
传统材料 TRAMP-ID: mp-777775 · 空间群: P2_1/c (#14)
基础信息
化学式
Ag(H7O4)2
MP-ID
mp-777775
元素数
3
位点数
92
密度
2.0608
g/cm³
体积
805.67
ų
晶胞参数 a
16.7770
Å
晶胞参数 b
6.8346
Å
晶胞参数 c
7.0364
Å
α 角
86.94
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2_1/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-1.13766
eV/atom
能量/原子
-5.04892
eV/atom
凸包距离
0.0695
eV/atom
未修正能量
-6.0411
eV/atom
体积/原子
8.76
ų
c/a 比
0.4194
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
1.0000
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.001240
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
H · 0.609
元素家族
N/A
溶质分数
0.391
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.508
家族
H-rich Multi-Component
基质元素
H · 0.609
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-777775
参考引用
The crystal structure and related material properties of Ag(H7O4)2 were obtained from the Materials Project database (MP-ID: mp-777775, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Ag(H7O4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.77699365
_cell_length_b 6.83462806
_cell_length_c 7.03638503
_cell_angle_alpha 86.94188035
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag(H7O4)2
_chemical_formula_sum 'Ag4 H56 O32'
_cell_volume 805.67468169
_cell_formula_units_Z 4
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
Ag Ag0 1 0.25219526 0.03168418 0.45418271 1.0
Ag Ag1 1 0.24780474 0.53168418 0.45418271 1.0
Ag Ag2 1 0.75219526 0.46831582 0.54581729 1.0
Ag Ag3 1 0.74780474 0.96831582 0.54581729 1.0
H H4 1 0.10485844 0.18715423 0.95006019 1.0
H H5 1 0.39514156 0.68715423 0.95006019 1.0
H H6 1 0.89117117 0.31586625 0.09525745 1.0
H H7 1 0.87118361 0.09170855 0.10967420 1.0
H H8 1 0.60882883 0.81586625 0.09525745 1.0
H H9 1 0.62881639 0.59170855 0.10967420 1.0
H H10 1 0.27944256 0.29576259 0.16036078 1.0
H H11 1 0.22055744 0.79576259 0.16036078 1.0
H H12 1 0.05648682 0.36264826 0.17154063 1.0
H H13 1 0.44351318 0.86264826 0.17154063 1.0
H H14 1 0.55800406 0.11670567 0.20398656 1.0
H H15 1 0.15094051 0.29566014 0.19811073 1.0
H H16 1 0.94199594 0.61670567 0.20398656 1.0
H H17 1 0.65920053 0.29502903 0.24277554 1.0
H H18 1 0.34905949 0.79566014 0.19811073 1.0
H H19 1 0.84079947 0.79502903 0.24277554 1.0
H H20 1 0.77938649 0.23281049 0.25644335 1.0
H H21 1 0.72061351 0.73281049 0.25644335 1.0
H H22 1 0.45121727 0.08649142 0.35073058 1.0
H H23 1 0.08310373 0.09812775 0.35075554 1.0
H H24 1 0.94249708 0.43705617 0.35161150 1.0
H H25 1 0.04878273 0.58649142 0.35073058 1.0
H H26 1 0.41689627 0.59812775 0.35075554 1.0
H H27 1 0.55750292 0.93705617 0.35161150 1.0
H H28 1 0.57549425 0.44016833 0.42363429 1.0
H H29 1 0.92450575 0.94016833 0.42363429 1.0
H H30 1 0.41028652 0.27081750 0.43777445 1.0
H H31 1 0.08971348 0.77081750 0.43777445 1.0
H H32 1 0.91028652 0.22918250 0.56222555 1.0
H H33 1 0.58971348 0.72918250 0.56222555 1.0
H H34 1 0.07549425 0.05983167 0.57636571 1.0
H H35 1 0.42450575 0.55983167 0.57636571 1.0
H H36 1 0.44249708 0.06294383 0.64838850 1.0
H H37 1 0.58310373 0.40187225 0.64924446 1.0
H H38 1 0.95121727 0.41350858 0.64926942 1.0
H H39 1 0.05750292 0.56294383 0.64838850 1.0
H H40 1 0.91689627 0.90187225 0.64924446 1.0
H H41 1 0.54878273 0.91350858 0.64926942 1.0
H H42 1 0.27938649 0.26718951 0.74355665 1.0
H H43 1 0.22061351 0.76718951 0.74355665 1.0
H H44 1 0.15920053 0.20497097 0.75722446 1.0
H H45 1 0.65094051 0.20433986 0.80188927 1.0
H H46 1 0.34079947 0.70497097 0.75722446 1.0
H H47 1 0.05800406 0.38329433 0.79601344 1.0
H H48 1 0.84905949 0.70433986 0.80188927 1.0
H H49 1 0.44199594 0.88329433 0.79601344 1.0
H H50 1 0.55648682 0.13735174 0.82845937 1.0
H H51 1 0.94351318 0.63735174 0.82845937 1.0
H H52 1 0.77944256 0.20423741 0.83963922 1.0
H H53 1 0.72055744 0.70423741 0.83963922 1.0
H H54 1 0.37118361 0.40829145 0.89032580 1.0
H H55 1 0.39117117 0.18413375 0.90474255 1.0
H H56 1 0.12881639 0.90829145 0.89032580 1.0
H H57 1 0.10882883 0.68413375 0.90474255 1.0
H H58 1 0.60485844 0.31284577 0.04993981 1.0
H H59 1 0.89514156 0.81284577 0.04993981 1.0
O O60 1 0.84990988 0.22078997 0.06669459 1.0
O O61 1 0.65009012 0.72078997 0.06669459 1.0
O O62 1 0.09496404 0.25601663 0.16276701 1.0
O O63 1 0.60706393 0.34466598 0.18688734 1.0
O O64 1 0.40503596 0.75601663 0.16276701 1.0
O O65 1 0.89293607 0.84466598 0.18688734 1.0
O O66 1 0.53603785 0.98335858 0.22286610 1.0
O O67 1 0.96396215 0.48335858 0.22286610 1.0
O O68 1 0.24111142 0.29372829 0.26533092 1.0
O O69 1 0.25888858 0.79372829 0.26533092 1.0
O O70 1 0.73888782 0.23077191 0.35820458 1.0
O O71 1 0.76111218 0.73077191 0.35820458 1.0
O O72 1 0.41115366 0.12463877 0.44236369 1.0
O O73 1 0.08884634 0.62463877 0.44236369 1.0
O O74 1 0.41015343 0.50096221 0.45848654 1.0
O O75 1 0.08984657 0.00096221 0.45848654 1.0
O O76 1 0.91015343 0.99903779 0.54151346 1.0
O O77 1 0.58984657 0.49903779 0.54151346 1.0
O O78 1 0.91115366 0.37536123 0.55763631 1.0
O O79 1 0.58884634 0.87536123 0.55763631 1.0
O O80 1 0.23888782 0.26922809 0.64179542 1.0
O O81 1 0.26111218 0.76922809 0.64179542 1.0
O O82 1 0.74111142 0.20627171 0.73466908 1.0
O O83 1 0.75888858 0.70627171 0.73466908 1.0
O O84 1 0.03603785 0.51664142 0.77713390 1.0
O O85 1 0.46396215 0.01664142 0.77713390 1.0
O O86 1 0.10706393 0.15533402 0.81311266 1.0
O O87 1 0.59496404 0.24398337 0.83723299 1.0
O O88 1 0.39293607 0.65533402 0.81311266 1.0
O O89 1 0.90503596 0.74398337 0.83723299 1.0
O O90 1 0.34990988 0.27921003 0.93330541 1.0
O O91 1 0.15009012 0.77921003 0.93330541 1.0