KW5O13
传统材料 TRAMP-ID: mp-685308 · 空间群: P1 (#1)
基础信息
化学式
KW5O13
MP-ID
mp-685308
元素数
3
位点数
114
密度
6.0669
g/cm³
体积
1,915.32
ų
晶胞参数 a
7.4996
Å
晶胞参数 b
7.5083
Å
晶胞参数 c
39.2143
Å
α 角
90.17
°
β 角
90.06
°
γ 角
119.84
°
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
-2.00199
eV/atom
能量/原子
-8.85702
eV/atom
凸包距离
0.1709
eV/atom
未修正能量
-7.2191
eV/atom
体积/原子
16.80
ų
c/a 比
5.2289
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
Yes
总磁矩
22.2551
μB
磁有序
FM
磁性位点数
30
磁化强度/体积
0.011620
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
O · 0.684
元素家族
N/A
溶质分数
0.316
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.538
家族
O-rich Multi-Component
基质元素
O · 0.684
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-685308
参考引用
The crystal structure and related material properties of KW5O13 were obtained from the Materials Project database (MP-ID: mp-685308, 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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拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_KW5O13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49956663
_cell_length_b 7.50825299
_cell_length_c 39.21430644
_cell_angle_alpha 90.17074979
_cell_angle_beta 90.06077347
_cell_angle_gamma 119.84068593
_symmetry_Int_Tables_number 1
_chemical_formula_structural KW5O13
_chemical_formula_sum 'K6 W30 O78'
_cell_volume 1915.32025010
_cell_formula_units_Z 6
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
K K0 1 0.00003367 0.99530936 0.18889010 1.0
K K1 1 0.99963057 0.99972496 0.31379487 1.0
K K2 1 0.99848022 0.99639810 0.58262897 1.0
K K3 1 0.00012435 0.99869442 0.69791108 1.0
K K4 1 0.00025618 0.00070371 0.80409352 1.0
K K5 1 0.99948342 0.99985754 0.91632769 1.0
W W6 1 0.99729783 0.49870982 0.13659165 1.0
W W7 1 0.99965051 0.50140729 0.34549199 1.0
W W8 1 0.99729812 0.49601866 0.53678079 1.0
W W9 1 0.99959066 0.50014065 0.75302378 1.0
W W10 1 -0.00026204 0.50119811 0.94487621 1.0
W W11 1 0.49605053 0.00490579 0.05075962 1.0
W W12 1 0.50047705 0.99965200 0.25151559 1.0
W W13 1 0.49630478 0.00503159 0.45076841 1.0
W W14 1 0.50024095 0.99924362 0.65088866 1.0
W W15 1 0.49981898 0.00113948 0.85067890 1.0
W W16 1 0.50077264 0.99523724 0.15017546 1.0
W W17 1 0.50006446 0.00092419 0.35062516 1.0
W W18 1 0.49859177 0.99611278 0.55008014 1.0
W W19 1 0.49996093 0.99893719 0.75082200 1.0
W W20 1 0.50009834 0.00079900 0.95022150 1.0
W W21 1 0.49621686 0.49347317 0.15281172 1.0
W W22 1 0.49916520 0.50028709 0.34720681 1.0
W W23 1 0.49793472 0.49610853 0.55480573 1.0
W W24 1 0.49908925 0.49849607 0.75144544 1.0
W W25 1 0.49944825 0.50035269 0.94627260 1.0
W W26 1 0.50550043 0.50952559 0.04494906 1.0
W W27 1 0.50129514 0.50000209 0.25048410 1.0
W W28 1 0.50582275 0.51004514 0.44602529 1.0
W W29 1 0.50083353 0.49967030 0.65358072 1.0
W W30 1 0.50120524 0.50174632 0.84891534 1.0
W W31 1 0.00210855 0.49915088 0.06234826 1.0
W W32 1 0.00087145 0.49882781 0.25427345 1.0
W W33 1 0.00224117 0.49988322 0.46207548 1.0
W W34 1 0.00059224 0.49891303 0.65052484 1.0
W W35 1 0.00055604 0.49975844 0.85101775 1.0
O O36 1 0.21169388 0.78920094 0.14715386 1.0
O O37 1 0.20309836 0.78426807 0.34835170 1.0
O O38 1 0.18827230 0.77026617 0.54806656 1.0
O O39 1 0.21290215 0.79749273 0.75036387 1.0
O O40 1 0.20194808 0.78305229 0.94753967 1.0
O O41 1 0.20598718 0.77747508 0.05329261 1.0
O O42 1 0.21731807 0.79697352 0.24926199 1.0
O O43 1 0.20681129 0.77831970 0.45402180 1.0
O O44 1 0.20138321 0.78124179 0.65107453 1.0
O O45 1 0.21393461 0.79709842 0.84939760 1.0
O O46 1 0.23937239 0.43860065 0.06062221 1.0
O O47 1 0.20287660 0.41710739 0.25033162 1.0
O O48 1 0.23838857 0.43937173 0.46136937 1.0
O O49 1 0.21572548 0.41590809 0.64989181 1.0
O O50 1 0.20805374 0.42085864 0.84987449 1.0
O O51 1 0.49779819 0.99927684 0.09935713 1.0
O O52 1 0.50034476 0.00113855 0.29930571 1.0
O O53 1 0.49771381 0.99948418 0.50077912 1.0
O O54 1 0.50190292 0.99636314 0.19794989 1.0
O O55 1 0.49985967 0.00015349 0.70113362 1.0
O O56 1 0.49848437 0.00364574 0.40345089 1.0
O O57 1 0.50015915 0.99517511 0.59821668 1.0
O O58 1 0.50095184 0.00126915 0.89901480 1.0
O O59 1 0.49949900 0.99948161 0.79980662 1.0
O O60 1 0.22754816 0.42755501 0.14044047 1.0
O O61 1 0.21657237 0.42060004 0.34933651 1.0
O O62 1 0.22884344 0.43041442 0.54106423 1.0
O O63 1 0.20016164 0.41622296 0.75085750 1.0
O O64 1 0.21643415 0.41945132 0.94630027 1.0
O O65 1 0.57666508 0.78120661 0.14791653 1.0
O O66 1 0.57337489 0.78843103 0.35076184 1.0
O O67 1 0.58578500 0.77970653 0.54860664 1.0
O O68 1 0.57816903 0.78583896 0.75024700 1.0
O O69 1 0.57458082 0.78808366 0.94974148 1.0
O O70 1 0.57699497 0.78972994 0.05033917 1.0
O O71 1 0.57757848 0.78589837 0.24882073 1.0
O O72 1 0.57710344 0.79153078 0.45164802 1.0
O O73 1 0.57647128 0.78718280 0.65031883 1.0
O O74 1 0.57872134 0.78783073 0.84945925 1.0
O O75 1 0.49912397 0.50033091 0.99884756 1.0
O O76 1 0.50645541 0.50308706 0.19857360 1.0
O O77 1 0.49853126 0.49911928 0.30044684 1.0
O O78 1 0.50518105 0.50298358 0.60077039 1.0
O O79 1 0.49796977 0.49724806 0.70005859 1.0
O O80 1 0.49941752 0.50116589 0.40070443 1.0
O O81 1 0.50085851 0.50055700 0.80134383 1.0
O O82 1 0.50013074 0.50159766 0.89839931 1.0
O O83 1 0.41839767 0.20952660 0.14924529 1.0
O O84 1 0.42539665 0.21330215 0.35050733 1.0
O O85 1 0.40963277 0.21155732 0.55004570 1.0
O O86 1 0.42062789 0.21237713 0.75041179 1.0
O O87 1 0.42457004 0.21365687 0.94924988 1.0
O O88 1 0.42736903 0.22046174 0.05143982 1.0
O O89 1 0.42416979 0.21309165 0.24811376 1.0
O O90 1 0.42868888 0.22060147 0.45264015 1.0
O O91 1 0.42554819 0.21174341 0.64945773 1.0
O O92 1 0.42220276 0.21392791 0.84940827 1.0
O O93 1 0.79898736 0.58108465 0.25127897 1.0
O O94 1 0.76942906 0.56852264 0.05905013 1.0
O O95 1 0.77118712 0.57003219 0.45996483 1.0
O O96 1 0.78609686 0.58273956 0.65094073 1.0
O O97 1 0.79308595 0.57933586 0.85030531 1.0
O O98 1 0.49784582 0.00313979 0.00262885 1.0
O O99 1 0.76337436 0.56367570 0.13826521 1.0
O O100 1 0.78235948 0.58191251 0.34941544 1.0
O O101 1 0.76364376 0.55884682 0.53937731 1.0
O O102 1 0.79872206 0.58355820 0.75095354 1.0
O O103 1 0.78278552 0.58249715 0.94652092 1.0
O O104 1 0.78586329 0.20593596 0.14702376 1.0
O O105 1 0.79631804 0.21872897 0.34885758 1.0
O O106 1 0.80759953 0.22217417 0.54834231 1.0
O O107 1 0.78617948 0.20234465 0.75082635 1.0
O O108 1 0.79774579 0.21955505 0.94814340 1.0
O O109 1 0.79400487 0.22445344 0.05403110 1.0
O O110 1 0.78399362 0.20090497 0.24949787 1.0
O O111 1 0.79386344 0.22519068 0.45476372 1.0
O O112 1 0.79962937 0.21693558 0.65150908 1.0
O O113 1 0.78668485 0.20280375 0.84947006 1.0