Nd14Cl33
传统材料 TRAMP-ID: mp-1221177 · 空间群: P-1 (#2)
基础信息
化学式
Nd14Cl33
MP-ID
mp-1221177
元素数
2
位点数
94
密度
4.4977
g/cm³
体积
2,355.01
ų
晶胞参数 a
11.1536
Å
晶胞参数 b
11.1653
Å
晶胞参数 c
21.1582
Å
α 角
98.27
°
β 角
101.51
°
γ 角
110.33
°
空间群
P-1
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
-2.40227
eV/atom
能量/原子
-5.12048
eV/atom
凸包距离
0.1703
eV/atom
未修正能量
-4.6894
eV/atom
体积/原子
25.05
ų
c/a 比
1.8970
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
0.3519
μB
磁有序
FiM
磁性位点数
18
磁化强度/体积
0.000150
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
Cl · 0.702
元素家族
N/A
溶质分数
0.298
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.609
家族
Binary Alloy
基质元素
Cl · 0.702
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-1221177
参考引用
The crystal structure and related material properties of Nd14Cl33 were obtained from the Materials Project database (MP-ID: mp-1221177, 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_Nd14Cl33
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.15356400
_cell_length_b 11.16533034
_cell_length_c 21.15818940
_cell_angle_alpha 98.26757449
_cell_angle_beta 101.51233764
_cell_angle_gamma 110.33078438
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd14Cl33
_chemical_formula_sum 'Nd28 Cl66'
_cell_volume 2355.00680748
_cell_formula_units_Z 2
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
Nd Nd0 1 0.69417400 0.39759600 0.54468700 1.0
Nd Nd1 1 0.30582600 0.60240400 0.45531300 1.0
Nd Nd2 1 0.92475300 0.23802400 0.92745600 1.0
Nd Nd3 1 0.07524700 0.76197600 0.07254400 1.0
Nd Nd4 1 0.47249000 0.55056200 0.68482100 1.0
Nd Nd5 1 0.52751000 0.44943800 0.31517900 1.0
Nd Nd6 1 0.08978400 0.25979200 0.57001300 1.0
Nd Nd7 1 0.91021600 0.74020800 0.42998700 1.0
Nd Nd8 1 0.13765600 0.72770800 0.65422200 1.0
Nd Nd9 1 0.86234400 0.27229200 0.34577800 1.0
Nd Nd10 1 0.63001000 0.45802400 0.92892900 1.0
Nd Nd11 1 0.36999000 0.54197600 0.07107100 1.0
Nd Nd12 1 0.23649600 0.64305700 0.88166900 1.0
Nd Nd13 1 0.76350400 0.35694300 0.11833100 1.0
Nd Nd14 1 0.85787400 0.36077200 0.73580000 1.0
Nd Nd15 1 0.14212600 0.63922800 0.26420000 1.0
Nd Nd16 1 0.50592700 0.97863200 0.80263300 1.0
Nd Nd17 1 0.49407300 0.02136800 0.19736700 1.0
Nd Nd18 1 0.30785000 0.09345700 0.96738000 1.0
Nd Nd19 1 0.69215000 0.90654300 0.03262000 1.0
Nd Nd20 1 0.86063000 0.76916600 0.84413600 1.0
Nd Nd21 1 0.13937000 0.23083400 0.15586400 1.0
Nd Nd22 1 0.17857700 0.13543000 0.75978500 1.0
Nd Nd23 1 0.82142300 0.86457000 0.24021500 1.0
Nd Nd24 1 0.37146400 0.04668000 0.57733100 1.0
Nd Nd25 1 0.62853700 0.95332000 0.42266900 1.0
Nd Nd26 1 0.75132200 0.86380600 0.62168900 1.0
Nd Nd27 1 0.24867800 0.13619400 0.37831100 1.0
Cl Cl28 1 0.04456800 0.06310300 0.87433600 1.0
Cl Cl29 1 0.95543200 0.93689700 0.12566400 1.0
Cl Cl30 1 0.35428000 0.28996000 0.88528400 1.0
Cl Cl31 1 0.64572000 0.71004000 0.11471600 1.0
Cl Cl32 1 0.03139600 0.63812900 0.77477600 1.0
Cl Cl33 1 0.96860400 0.36187100 0.22522400 1.0
Cl Cl34 1 0.55452600 0.60727500 0.56770800 1.0
Cl Cl35 1 0.44547400 0.39272500 0.43229200 1.0
Cl Cl36 1 0.47319900 0.61973800 0.96015100 1.0
Cl Cl37 1 0.52680100 0.38026200 0.03984900 1.0
Cl Cl38 1 0.24401100 0.54479400 0.58701500 1.0
Cl Cl39 1 0.75598900 0.45520600 0.41298500 1.0
Cl Cl40 1 0.64188600 0.20417200 0.91479400 1.0
Cl Cl41 1 0.35811400 0.79582800 0.08520600 1.0
Cl Cl42 1 0.45119000 0.89334500 0.93201800 1.0
Cl Cl43 1 0.54881000 0.10665500 0.06798200 1.0
Cl Cl44 1 0.96031600 0.44121300 0.62612200 1.0
Cl Cl45 1 0.03968400 0.55878700 0.37387800 1.0
Cl Cl46 1 0.08130600 0.35697800 0.83088600 1.0
Cl Cl47 1 0.91869400 0.64302200 0.16911400 1.0
Cl Cl48 1 0.58357000 0.58096800 0.82242400 1.0
Cl Cl49 1 0.41643000 0.41903200 0.17757600 1.0
Cl Cl50 1 0.76286600 0.14006500 0.78950500 1.0
Cl Cl51 1 0.23713400 0.85993500 0.21049500 1.0
Cl Cl52 1 0.70695700 0.50199200 0.68057100 1.0
Cl Cl53 1 0.29304300 0.49800800 0.31942900 1.0
Cl Cl54 1 0.86465400 0.46702100 0.01838600 1.0
Cl Cl55 1 0.13534600 0.53297900 0.98161400 1.0
Cl Cl56 1 0.11898900 0.81472200 0.94178900 1.0
Cl Cl57 1 0.88101100 0.18527800 0.05821100 1.0
Cl Cl58 1 0.83431600 0.49215900 0.85749300 1.0
Cl Cl59 1 0.16568400 0.50784100 0.14250700 1.0
Cl Cl60 1 0.81506600 0.72923900 0.97622800 1.0
Cl Cl61 1 0.18493400 0.27076100 0.02377200 1.0
Cl Cl62 1 0.26515700 0.96897500 0.83023400 1.0
Cl Cl63 1 0.73484300 0.03102500 0.16976600 1.0
Cl Cl64 1 0.37349700 0.30366700 0.58724700 1.0
Cl Cl65 1 0.62650300 0.69633300 0.41275300 1.0
Cl Cl66 1 0.87308900 0.68319500 0.56333700 1.0
Cl Cl67 1 0.12691100 0.31680500 0.43666300 1.0
Cl Cl68 1 0.14227300 0.04526500 0.48346000 1.0
Cl Cl69 1 0.85772700 0.95473500 0.51654000 1.0
Cl Cl70 1 0.65298000 0.18724000 0.62277700 1.0
Cl Cl71 1 0.34702000 0.81276000 0.37722300 1.0
Cl Cl72 1 0.74400000 0.95351500 0.90369900 1.0
Cl Cl73 1 0.25600000 0.04648500 0.09630100 1.0
Cl Cl74 1 0.34118800 0.69654900 0.76535400 1.0
Cl Cl75 1 0.65881200 0.30345100 0.23464600 1.0
Cl Cl76 1 0.15286900 0.98022300 0.63534600 1.0
Cl Cl77 1 0.84713100 0.01977700 0.36465400 1.0
Cl Cl78 1 0.94211400 0.14512400 0.67096300 1.0
Cl Cl79 1 0.05788600 0.85487600 0.32903700 1.0
Cl Cl80 1 0.66189600 0.81424400 0.74127700 1.0
Cl Cl81 1 0.33810400 0.18575600 0.25872300 1.0
Cl Cl82 1 0.51852300 0.87057800 0.52905700 1.0
Cl Cl83 1 0.48147700 0.12942200 0.47094300 1.0
Cl Cl84 1 0.17871200 0.77276700 0.51730500 1.0
Cl Cl85 1 0.82128800 0.22723300 0.48269500 1.0
Cl Cl86 1 0.41425300 0.88093600 0.66241800 1.0
Cl Cl87 1 0.58574700 0.11906400 0.33758200 1.0
Cl Cl88 1 0.96349300 0.86917300 0.72540200 1.0
Cl Cl89 1 0.03650700 0.13082700 0.27459800 1.0
Cl Cl90 1 0.24379600 0.36823000 0.70984400 1.0
Cl Cl91 1 0.75620400 0.63177000 0.29015600 1.0
Cl Cl92 1 0.44358000 0.17621000 0.74637600 1.0
Cl Cl93 1 0.55642000 0.82379000 0.25362400 1.0