Ca14MnAs11
传统材料 TRAMP-ID: mp-532462 · 空间群: Iba2 (#45)
基础信息
化学式
Ca14MnAs11
MP-ID
mp-532462
元素数
3
位点数
104
密度
3.6630
g/cm³
体积
2,611.49
ų
晶胞参数 a
15.3215
Å
晶胞参数 b
15.3215
Å
晶胞参数 c
15.3215
Å
α 角
118.11
°
β 角
118.10
°
γ 角
93.32
°
空间群
Iba2
点群
mm2
晶体系统
Orthorhombic
Bravais 格子
oI
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-1.12242
eV/atom
能量/原子
-4.53057
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-4.5306
eV/atom
体积/原子
25.11
ų
c/a 比
1.0000
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
15.6402
μB
磁有序
FM
磁性位点数
4
磁化强度/体积
0.005990
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
Ca · 0.538
元素家族
N/A
溶质分数
0.462
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.521
家族
Ca-rich Multi-Component
基质元素
Ca · 0.538
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-532462
参考引用
The crystal structure and related material properties of Ca14MnAs11 were obtained from the Materials Project database (MP-ID: mp-532462, 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_Ca14MnAs11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.32153477
_cell_length_b 15.32153477
_cell_length_c 15.32153477
_cell_angle_alpha 118.10574662
_cell_angle_beta 118.09790667
_cell_angle_gamma 93.32042950
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca14MnAs11
_chemical_formula_sum 'Ca56 Mn4 As44'
_cell_volume 2611.49098807
_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
Ca Ca0 1 0.14648800 0.74915000 0.39828400 1.0
Ca Ca1 1 0.87805300 0.74665500 0.28267100 1.0
Ca Ca2 1 0.64943800 0.78355900 0.27747700 1.0
Ca Ca3 1 0.00009800 0.52209300 0.33697700 1.0
Ca Ca4 1 0.12123500 0.97055700 0.60329300 1.0
Ca Ca5 1 0.15415400 0.37151300 0.36855800 1.0
Ca Ca6 1 0.23178700 0.12890500 0.34929000 1.0
Ca Ca7 1 0.77961400 0.62890500 0.39711800 1.0
Ca Ca8 1 0.22667900 0.75116300 0.66509000 1.0
Ca Ca9 1 0.50000000 0.89794300 0.39794300 1.0
Ca Ca10 1 0.00295500 0.87151300 0.71736000 1.0
Ca Ca11 1 0.73061200 0.88286800 0.60505000 1.0
Ca Ca12 1 0.00000000 0.60240300 0.60240300 1.0
Ca Ca13 1 0.30995700 0.97720000 0.47489300 1.0
Ca Ca14 1 0.99990200 0.33687900 0.52199600 1.0
Ca Ca15 1 0.41419000 0.74897500 0.47744000 1.0
Ca Ca16 1 0.77332100 0.43841100 0.52448400 1.0
Ca Ca17 1 0.36726400 0.47055700 0.34932100 1.0
Ca Ca18 1 0.22038600 0.61750400 0.84929000 1.0
Ca Ca19 1 0.86720800 0.01951500 0.39539900 1.0
Ca Ca20 1 0.58581000 0.06325000 0.33478500 1.0
Ca Ca21 1 0.46398400 0.24665500 0.36860200 1.0
Ca Ca22 1 0.81488400 0.83687900 0.83697700 1.0
Ca Ca23 1 0.99704500 0.71440500 0.86855800 1.0
Ca Ca24 1 0.85351200 0.25179600 0.60266200 1.0
Ca Ca25 1 0.53601600 0.90461700 0.78267100 1.0
Ca Ca26 1 0.62411600 0.51951500 0.65230600 1.0
Ca Ca27 1 0.12194700 0.40461700 0.86860200 1.0
Ca Ca28 1 0.37843700 0.60093800 0.63428300 1.0
Ca Ca29 1 0.87876500 0.48205700 0.84932100 1.0
Ca Ca30 1 0.96665500 0.10093800 0.72250100 1.0
Ca Ca31 1 0.64913400 0.75179600 0.89828400 1.0
Ca Ca32 1 0.50608100 0.28355900 0.63412100 1.0
Ca Ca33 1 0.69004300 0.16493500 0.66724200 1.0
Ca Ca34 1 0.03334500 0.75584600 0.13428300 1.0
Ca Ca35 1 0.91392700 0.93841100 0.16509000 1.0
Ca Ca36 1 0.63273600 0.98205700 0.10329300 1.0
Ca Ca37 1 0.27781800 0.38286800 0.65225600 1.0
Ca Ca38 1 0.13279200 0.52819100 0.15230600 1.0
Ca Ca39 1 0.72846500 0.56325000 0.97744000 1.0
Ca Ca40 1 0.08607300 0.25116300 0.02448400 1.0
Ca Ca41 1 0.49769300 0.66493500 0.97489300 1.0
Ca Ca42 1 0.18511600 0.02209300 0.02199600 1.0
Ca Ca43 1 0.50000000 0.39794300 0.89794300 1.0
Ca Ca44 1 0.76821300 0.11750400 0.89711800 1.0
Ca Ca45 1 0.49391900 0.12804000 0.77747700 1.0
Ca Ca46 1 0.00000000 0.10240300 0.10240300 1.0
Ca Ca47 1 0.27153500 0.24897500 0.83478500 1.0
Ca Ca48 1 0.72218200 0.37443800 0.10505000 1.0
Ca Ca49 1 0.26938800 0.87443800 0.15225600 1.0
Ca Ca50 1 0.35056200 0.62804000 0.13412100 1.0
Ca Ca51 1 0.37588400 0.02819100 0.89539900 1.0
Ca Ca52 1 0.50230700 0.47720000 0.16724200 1.0
Ca Ca53 1 0.84584600 0.21440500 0.21736000 1.0
Ca Ca54 1 0.62156300 0.25584600 0.22250100 1.0
Ca Ca55 1 0.35086600 0.24915000 0.10266200 1.0
Mn Mn56 1 0.62534100 0.62554400 0.50088200 1.0
Mn Mn57 1 0.12466200 0.12554400 0.50020300 1.0
Mn Mn58 1 0.87533800 0.37554100 0.00088200 1.0
Mn Mn59 1 0.37465900 0.87554100 0.00020300 1.0
As As60 1 0.06514200 0.92597900 0.36898500 1.0
As As61 1 0.22981100 0.58264400 0.40558400 1.0
As As62 1 0.00976500 0.73988200 0.50006100 1.0
As As63 1 0.86873200 0.88129100 0.50008000 1.0
As As64 1 0.83255000 0.42765100 0.35374500 1.0
As As65 1 0.05223400 0.18418000 0.35960200 1.0
As As66 1 0.55265900 0.69315500 0.36908700 1.0
As As67 1 0.25790800 0.75794200 0.26618800 1.0
As As68 1 0.16745000 0.52119400 0.59510100 1.0
As As69 1 0.55699400 0.42597900 0.36083700 1.0
As As70 1 0.77018900 0.17577400 0.35283300 1.0
As As71 1 0.57352200 0.97961600 0.64622700 1.0
As As72 1 0.82457800 0.68418000 0.63194600 1.0
As As73 1 0.17542200 0.80736700 0.85960200 1.0
As As74 1 0.99023500 0.49029500 0.73011600 1.0
As As75 1 0.05705500 0.19884100 0.63188500 1.0
As As76 1 0.56695700 0.69884100 0.64178600 1.0
As As77 1 0.32212200 0.91664400 0.64526200 1.0
As As78 1 0.67787800 0.32314000 0.59452300 1.0
As As79 1 0.74209200 0.00827900 0.50003300 1.0
As As80 1 0.07390600 0.92765100 0.09510100 1.0
As As81 1 0.38121100 0.38129100 0.51255800 1.0
As As82 1 0.42647800 0.07270500 0.40609300 1.0
As As83 1 0.76017900 0.99029500 0.00006100 1.0
As As84 1 0.13126800 0.63134800 0.01255800 1.0
As As85 1 0.82294100 0.67577400 0.90558400 1.0
As As86 1 0.17705900 0.08264400 0.85283300 1.0
As As87 1 0.93485800 0.30384300 0.86083700 1.0
As As88 1 0.44300600 0.80384300 0.86898500 1.0
As As89 1 0.50824600 0.50827900 0.76618800 1.0
As As90 1 0.32406800 0.19315500 0.64049600 1.0
As As91 1 0.67593200 0.31642800 0.86908700 1.0
As As92 1 0.92609400 0.02119400 0.85374500 1.0
As As93 1 0.72861800 0.82314000 0.14526200 1.0
As As94 1 0.94294500 0.57482900 0.14178600 1.0
As As95 1 0.33338800 0.47961600 0.90609300 1.0
As As96 1 0.23982100 0.23988200 0.23011600 1.0
As As97 1 0.94776600 0.30736700 0.13194600 1.0
As As98 1 0.44734100 0.81642800 0.14049600 1.0
As As99 1 0.66661200 0.57270500 0.14622700 1.0
As As100 1 0.61878900 0.13134800 0.00008000 1.0
As As101 1 0.49175400 0.25794200 0.00003300 1.0
As As102 1 0.27138200 0.41664400 0.09452300 1.0
As As103 1 0.43304300 0.07482900 0.13188500 1.0