V17Ge31
传统材料 TRAMP-ID: mp-680383 · 空间群: P-4n2 (#118)
基础信息
化学式
V17Ge31
MP-ID
mp-680383
元素数
2
位点数
192
密度
7.0195
g/cm³
体积
2,950.26
ų
晶胞参数 a
5.9242
Å
晶胞参数 b
5.9242
Å
晶胞参数 c
84.0630
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P-4n2
点群
-42m
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.20012
eV/atom
能量/原子
-6.40304
eV/atom
凸包距离
0.0136
eV/atom
未修正能量
-6.4030
eV/atom
体积/原子
15.37
ų
c/a 比
14.1898
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
0.4045
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000140
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
Ge · 0.646
元素家族
N/A
溶质分数
0.354
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.682
家族
Binary Alloy
基质元素
Ge · 0.646
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-680383
参考引用
The crystal structure and related material properties of V17Ge31 were obtained from the Materials Project database (MP-ID: mp-680383, 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_V17Ge31
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92417615
_cell_length_b 5.92417615
_cell_length_c 84.06295818
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V17Ge31
_chemical_formula_sum 'V68 Ge124'
_cell_volume 2950.26206839
_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
V V0 1 0.50000000 0.50000000 0.14642887 1.0
V V1 1 0.50000000 0.50000000 0.79322351 1.0
V V2 1 0.50000000 0.50000000 0.67675761 1.0
V V3 1 0.00000000 0.50000000 0.95490322 1.0
V V4 1 0.00000000 0.00000000 0.11665756 1.0
V V5 1 0.00000000 0.50000000 0.77854152 1.0
V V6 1 0.50000000 0.50000000 0.32324239 1.0
V V7 1 0.00000000 0.00000000 0.94033491 1.0
V V8 1 0.50000000 0.50000000 0.85357113 1.0
V V9 1 0.50000000 0.50000000 0.38334244 1.0
V V10 1 0.00000000 0.00000000 0.29322351 1.0
V V11 1 0.50000000 0.00000000 0.10219022 1.0
V V12 1 0.00000000 0.50000000 0.30815013 1.0
V V13 1 0.00000000 0.00000000 0.35357113 1.0
V V14 1 0.00000000 0.00000000 0.41198852 1.0
V V15 1 0.50000000 0.50000000 0.91198852 1.0
V V16 1 0.50000000 0.00000000 0.98481062 1.0
V V17 1 0.00000000 0.00000000 0.05966509 1.0
V V18 1 0.50000000 0.00000000 0.51518938 1.0
V V19 1 0.50000000 0.00000000 0.33842462 1.0
V V20 1 0.50000000 0.00000000 0.92610396 1.0
V V21 1 0.50000000 0.00000000 0.45490322 1.0
V V22 1 0.50000000 0.50000000 0.08801148 1.0
V V23 1 0.00000000 0.50000000 0.13139587 1.0
V V24 1 0.00000000 0.00000000 0.64642887 1.0
V V25 1 0.50000000 0.50000000 0.55966509 1.0
V V26 1 0.00000000 0.50000000 0.36860413 1.0
V V27 1 0.50000000 0.00000000 0.27854152 1.0
V V28 1 0.00000000 0.50000000 0.42610396 1.0
V V29 1 0.00000000 0.50000000 0.48481062 1.0
V V30 1 0.50000000 0.50000000 0.73584418 1.0
V V31 1 0.00000000 0.50000000 0.72145848 1.0
V V32 1 0.00000000 0.50000000 0.54509678 1.0
V V33 1 0.00000000 0.00000000 0.82324239 1.0
V V34 1 0.00000000 0.00000000 0.70677649 1.0
V V35 1 0.50000000 0.50000000 0.50000000 1.0
V V36 1 0.00000000 0.00000000 0.46976150 1.0
V V37 1 0.50000000 0.00000000 0.22145848 1.0
V V38 1 0.50000000 0.00000000 0.63139587 1.0
V V39 1 0.50000000 0.00000000 0.75000000 1.0
V V40 1 0.50000000 0.50000000 0.26415582 1.0
V V41 1 0.00000000 0.50000000 0.19184987 1.0
V V42 1 0.00000000 0.00000000 0.76415582 1.0
V V43 1 0.50000000 0.50000000 0.61665756 1.0
V V44 1 0.00000000 0.00000000 0.53023850 1.0
V V45 1 0.00000000 0.00000000 0.23584418 1.0
V V46 1 0.50000000 0.00000000 0.69184987 1.0
V V47 1 0.00000000 0.50000000 0.07389604 1.0
V V48 1 0.50000000 0.00000000 0.57389604 1.0
V V49 1 0.00000000 0.50000000 0.66157538 1.0
V V50 1 0.00000000 0.00000000 0.17675761 1.0
V V51 1 0.00000000 0.50000000 0.01518938 1.0
V V52 1 0.00000000 0.00000000 0.58801148 1.0
V V53 1 0.50000000 0.00000000 0.16157538 1.0
V V54 1 0.00000000 0.50000000 0.60219022 1.0
V V55 1 0.00000000 0.00000000 0.00000000 1.0
V V56 1 0.00000000 0.50000000 0.89780978 1.0
V V57 1 0.50000000 0.00000000 0.04509678 1.0
V V58 1 0.00000000 0.50000000 0.83842462 1.0
V V59 1 0.50000000 0.50000000 0.03023850 1.0
V V60 1 0.50000000 0.00000000 0.39780978 1.0
V V61 1 0.50000000 0.50000000 0.20677649 1.0
V V62 1 0.50000000 0.00000000 0.80815013 1.0
V V63 1 0.50000000 0.50000000 0.96976150 1.0
V V64 1 0.00000000 0.50000000 0.25000000 1.0
V V65 1 0.50000000 0.50000000 0.44033491 1.0
V V66 1 0.00000000 0.00000000 0.88334244 1.0
V V67 1 0.50000000 0.00000000 0.86860413 1.0
Ge Ge68 1 0.28104187 0.15881065 0.13663375 1.0
Ge Ge69 1 0.33752981 0.68081774 0.76578584 1.0
Ge Ge70 1 0.28967033 0.65871134 0.70223474 1.0
Ge Ge71 1 0.15847830 0.24575256 0.33053428 1.0
Ge Ge72 1 0.65953419 0.68954652 0.94300780 1.0
Ge Ge73 1 0.18081774 0.83752981 0.73421416 1.0
Ge Ge74 1 0.21895813 0.65881065 0.63663375 1.0
Ge Ge75 1 0.76329096 0.84187073 0.84698517 1.0
Ge Ge76 1 0.84118935 0.28104187 0.86336625 1.0
Ge Ge77 1 0.16478393 0.67684687 0.57285072 1.0
Ge Ge78 1 0.24138822 0.65859889 0.99177281 1.0
Ge Ge79 1 0.15859889 0.74138822 0.50822719 1.0
Ge Ge80 1 0.16645157 0.82652579 0.08862484 1.0
Ge Ge81 1 0.73670904 0.34187073 0.34698517 1.0
Ge Ge82 1 0.26329096 0.65812927 0.34698517 1.0
Ge Ge83 1 0.70127557 0.65849404 0.87959168 1.0
Ge Ge84 1 0.20127557 0.84150596 0.37959168 1.0
Ge Ge85 1 0.66247019 0.31918226 0.76578584 1.0
Ge Ge86 1 0.34162355 0.79444283 0.54095740 1.0
Ge Ge87 1 0.22294755 0.84151119 0.02469679 1.0
Ge Ge88 1 0.83752981 0.81918226 0.26578584 1.0
Ge Ge89 1 0.84162355 0.70555717 0.04095740 1.0
Ge Ge90 1 0.66478393 0.82315313 0.07285072 1.0
Ge Ge91 1 0.74138822 0.84140111 0.49177281 1.0
Ge Ge92 1 0.80534750 0.34098394 0.28167318 1.0
Ge Ge93 1 0.32315313 0.16478393 0.42714928 1.0
Ge Ge94 1 0.83354843 0.17347421 0.08862484 1.0
Ge Ge95 1 0.34118935 0.21895813 0.36336625 1.0
Ge Ge96 1 0.67684687 0.83521607 0.42714928 1.0
Ge Ge97 1 0.79872443 0.15849404 0.37959168 1.0
Ge Ge98 1 0.25861178 0.15859889 0.49177281 1.0
Ge Ge99 1 0.16988460 0.33011540 0.75000000 1.0
Ge Ge100 1 0.81045348 0.84046581 0.55699220 1.0
Ge Ge101 1 0.33354843 0.32652579 0.58862484 1.0
Ge Ge102 1 0.68614657 0.16099138 0.60441991 1.0
Ge Ge103 1 0.34128866 0.28967033 0.29776526 1.0
Ge Ge104 1 0.84151119 0.77705245 0.97530321 1.0
Ge Ge105 1 0.75424744 0.15847830 0.66946572 1.0
Ge Ge106 1 0.66099138 0.18614657 0.89558009 1.0
Ge Ge107 1 0.34152170 0.74575256 0.83053428 1.0
Ge Ge108 1 0.15881065 0.71895813 0.86336625 1.0
Ge Ge109 1 0.83900862 0.68614657 0.39558009 1.0
Ge Ge110 1 0.66645157 0.67347421 0.58862484 1.0
Ge Ge111 1 0.84105740 0.72763365 0.68591597 1.0
Ge Ge112 1 0.84098394 0.30534750 0.21832682 1.0
Ge Ge113 1 0.34046581 0.31045348 0.94300780 1.0
Ge Ge114 1 0.34105740 0.77236635 0.18591597 1.0
Ge Ge115 1 0.79444283 0.65837645 0.45904260 1.0
Ge Ge116 1 0.84187073 0.23670904 0.15301483 1.0
Ge Ge117 1 0.65837645 0.20555717 0.54095740 1.0
Ge Ge118 1 0.25424744 0.34152170 0.16946572 1.0
Ge Ge119 1 0.70555717 0.15837645 0.95904260 1.0
Ge Ge120 1 0.82652579 0.83354843 0.91137516 1.0
Ge Ge121 1 0.65812927 0.73670904 0.65301483 1.0
Ge Ge122 1 0.71895813 0.84118935 0.13663375 1.0
Ge Ge123 1 0.31385343 0.83900862 0.60441991 1.0
Ge Ge124 1 0.72294755 0.65848881 0.52469679 1.0
Ge Ge125 1 0.20555717 0.34162355 0.45904260 1.0
Ge Ge126 1 0.78967033 0.84128866 0.20223474 1.0
Ge Ge127 1 0.81918226 0.16247019 0.73421416 1.0
Ge Ge128 1 0.34151119 0.72294755 0.47530321 1.0
Ge Ge129 1 0.84046581 0.18954652 0.44300780 1.0
Ge Ge130 1 0.82315313 0.33521607 0.92714928 1.0
Ge Ge131 1 0.15848881 0.22294755 0.97530321 1.0
Ge Ge132 1 0.66988460 0.16988460 0.25000000 1.0
Ge Ge133 1 0.84128866 0.21032967 0.79776526 1.0
Ge Ge134 1 0.24575256 0.84152170 0.66946572 1.0
Ge Ge135 1 0.15871134 0.78967033 0.79776526 1.0
Ge Ge136 1 0.65859889 0.75861178 0.00822719 1.0
Ge Ge137 1 0.27236635 0.84105740 0.31408403 1.0
Ge Ge138 1 0.15837645 0.29444283 0.04095740 1.0
Ge Ge139 1 0.34140111 0.24138822 0.00822719 1.0
Ge Ge140 1 0.15812927 0.76329096 0.15301483 1.0
Ge Ge141 1 0.16247019 0.18081774 0.26578584 1.0
Ge Ge142 1 0.18954652 0.15953419 0.55699220 1.0
Ge Ge143 1 0.72763365 0.15894260 0.31408403 1.0
Ge Ge144 1 0.19465250 0.65901606 0.28167318 1.0
Ge Ge145 1 0.15901606 0.69465250 0.21832682 1.0
Ge Ge146 1 0.69465250 0.84098394 0.78167318 1.0
Ge Ge147 1 0.71032967 0.34128866 0.70223474 1.0
Ge Ge148 1 0.77705245 0.15848881 0.02469679 1.0
Ge Ge149 1 0.16099138 0.31385343 0.39558009 1.0
Ge Ge150 1 0.65901606 0.80534750 0.71832682 1.0
Ge Ge151 1 0.29872443 0.34150596 0.87959168 1.0
Ge Ge152 1 0.23670904 0.15812927 0.84698517 1.0
Ge Ge153 1 0.33011540 0.83011540 0.25000000 1.0
Ge Ge154 1 0.84140111 0.25861178 0.50822719 1.0
Ge Ge155 1 0.68954652 0.34046581 0.05699220 1.0
Ge Ge156 1 0.32652579 0.66645157 0.41137516 1.0
Ge Ge157 1 0.75861178 0.34140111 0.99177281 1.0
Ge Ge158 1 0.30534750 0.15901606 0.78167318 1.0
Ge Ge159 1 0.17347421 0.16645157 0.91137516 1.0
Ge Ge160 1 0.65848881 0.27705245 0.47530321 1.0
Ge Ge161 1 0.65849404 0.29872443 0.12040832 1.0
Ge Ge162 1 0.18614657 0.33900862 0.10441991 1.0
Ge Ge163 1 0.34098394 0.19465250 0.71832682 1.0
Ge Ge164 1 0.67347421 0.33354843 0.41137516 1.0
Ge Ge165 1 0.65894260 0.22763365 0.18591597 1.0
Ge Ge166 1 0.65871134 0.71032967 0.29776526 1.0
Ge Ge167 1 0.83521607 0.32315313 0.57285072 1.0
Ge Ge168 1 0.34150596 0.70127557 0.12040832 1.0
Ge Ge169 1 0.78104187 0.34118935 0.63663375 1.0
Ge Ge170 1 0.84150596 0.79872443 0.62040832 1.0
Ge Ge171 1 0.33521607 0.17684687 0.07285072 1.0
Ge Ge172 1 0.31918226 0.33752981 0.23421416 1.0
Ge Ge173 1 0.15849404 0.20127557 0.62040832 1.0
Ge Ge174 1 0.83011540 0.66988460 0.75000000 1.0
Ge Ge175 1 0.17684687 0.66478393 0.92714928 1.0
Ge Ge176 1 0.84152170 0.75424744 0.33053428 1.0
Ge Ge177 1 0.15894260 0.27236635 0.68591597 1.0
Ge Ge178 1 0.27705245 0.34151119 0.52469679 1.0
Ge Ge179 1 0.65881065 0.78104187 0.36336625 1.0
Ge Ge180 1 0.65847830 0.25424744 0.83053428 1.0
Ge Ge181 1 0.68081774 0.66247019 0.23421416 1.0
Ge Ge182 1 0.33900862 0.81385343 0.89558009 1.0
Ge Ge183 1 0.22763365 0.34105740 0.81408403 1.0
Ge Ge184 1 0.34187073 0.26329096 0.65301483 1.0
Ge Ge185 1 0.77236635 0.65894260 0.81408403 1.0
Ge Ge186 1 0.29444283 0.84162355 0.95904260 1.0
Ge Ge187 1 0.21032967 0.15871134 0.20223474 1.0
Ge Ge188 1 0.74575256 0.65847830 0.16946572 1.0
Ge Ge189 1 0.15953419 0.81045348 0.44300780 1.0
Ge Ge190 1 0.81385343 0.66099138 0.10441991 1.0
Ge Ge191 1 0.31045348 0.65953419 0.05699220 1.0