Nd9Mn10O30
传统材料 TRAMP-ID: mp-530644 · 空间群: P1 (#1)
基础信息
化学式
Nd9Mn10O30
MP-ID
mp-530644
元素数
3
位点数
98
密度
6.4631
g/cm³
体积
1,196.01
ų
晶胞参数 a
27.5502
Å
晶胞参数 b
7.8111
Å
晶胞参数 c
9.5559
Å
α 角
66.10
°
β 角
54.80
°
γ 角
45.38
°
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
-2.84305
eV/atom
能量/原子
-8.61799
eV/atom
凸包距离
0.0308
eV/atom
未修正能量
-7.8570
eV/atom
体积/原子
12.20
ų
c/a 比
0.3469
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
73.9997
μB
磁有序
FM
磁性位点数
20
磁化强度/体积
0.061870
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 · 0.612
元素家族
N/A
溶质分数
0.388
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.563
家族
O-rich Multi-Component
基质元素
O · 0.612
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-530644
参考引用
The crystal structure and related material properties of Nd9Mn10O30 were obtained from the Materials Project database (MP-ID: mp-530644, 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_Nd9Mn10O30
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 27.55016997
_cell_length_b 7.81107316
_cell_length_c 9.55591761
_cell_angle_alpha 66.10003109
_cell_angle_beta 54.79503466
_cell_angle_gamma 45.38114541
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd9Mn10O30
_chemical_formula_sum 'Nd18 Mn20 O60'
_cell_volume 1196.00990856
_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 0.13390800 0.05655700 0.24797400 1.0
Nd Nd1 1 0.05349900 0.46125400 0.75813200 1.0
Nd Nd2 1 0.14448900 0.53760500 0.24928000 1.0
Nd Nd3 1 0.34310100 0.03543900 0.24131700 1.0
Nd Nd4 1 0.05853600 0.96346900 0.74586600 1.0
Nd Nd5 1 0.25834300 0.45261600 0.75048300 1.0
Nd Nd6 1 0.34507900 0.53387100 0.24645800 1.0
Nd Nd7 1 0.53757700 0.04191700 0.25919700 1.0
Nd Nd8 1 0.25860800 0.96948800 0.75378300 1.0
Nd Nd9 1 0.45723300 0.44826500 0.74934900 1.0
Nd Nd10 1 0.54333100 0.53143800 0.25346500 1.0
Nd Nd11 1 0.74172500 0.03785300 0.25302300 1.0
Nd Nd12 1 0.65345200 0.46592800 0.74770500 1.0
Nd Nd13 1 0.74737800 0.53040500 0.25218700 1.0
Nd Nd14 1 0.93862600 0.04428500 0.25030800 1.0
Nd Nd15 1 0.65729400 0.97007500 0.75238500 1.0
Nd Nd16 1 0.85873500 0.45598600 0.74312200 1.0
Nd Nd17 1 0.85943900 0.96099800 0.74796500 1.0
Mn Mn18 1 0.09946100 0.00240400 0.00005300 1.0
Mn Mn19 1 0.09631600 0.50817400 0.00229100 1.0
Mn Mn20 1 0.30152900 0.99719400 0.99763800 1.0
Mn Mn21 1 0.20029700 0.99957500 0.49816800 1.0
Mn Mn22 1 0.30189000 0.49522500 0.99640700 1.0
Mn Mn23 1 0.20048900 0.49912600 0.49734900 1.0
Mn Mn24 1 0.50052700 0.99313900 0.99918600 1.0
Mn Mn25 1 0.40099200 0.99534300 0.50442700 1.0
Mn Mn26 1 0.49916200 0.50640100 0.99497500 1.0
Mn Mn27 1 0.39922400 0.49958800 0.50267900 1.0
Mn Mn28 1 0.70009700 0.99887700 0.00135600 1.0
Mn Mn29 1 0.59927400 0.99437000 0.50199600 1.0
Mn Mn30 1 0.69970900 0.50169300 0.00112200 1.0
Mn Mn31 1 0.59838500 0.50482800 0.50256300 1.0
Mn Mn32 1 0.80234800 0.99356100 0.49703300 1.0
Mn Mn33 1 0.90042800 0.99518400 0.00344600 1.0
Mn Mn34 1 0.89982300 0.50361900 0.00383000 1.0
Mn Mn35 1 0.80023300 0.50443400 0.49993100 1.0
Mn Mn36 1 0.99987000 0.00173700 0.49741200 1.0
Mn Mn37 1 0.99811700 0.50568000 0.49793000 1.0
O O38 1 0.08751100 0.26945000 0.02608600 1.0
O O39 1 0.06816600 0.48831800 0.25257700 1.0
O O40 1 0.09252800 0.21924400 0.54550700 1.0
O O41 1 0.01077300 0.21309200 0.95115000 1.0
O O42 1 0.00641400 0.71285700 0.54447000 1.0
O O43 1 0.03942000 0.96694000 0.25173200 1.0
O O44 1 0.16395200 0.02020200 0.74313900 1.0
O O45 1 0.27775300 0.28286600 0.04475900 1.0
O O46 1 0.19736500 0.28068900 0.44992200 1.0
O O47 1 0.18906400 0.78435000 0.04629400 1.0
O O48 1 0.11026000 0.78003800 0.45312400 1.0
O O49 1 0.13036300 0.51918200 0.74723100 1.0
O O50 1 0.26949800 0.47999300 0.24816200 1.0
O O51 1 0.29143400 0.21674800 0.53870400 1.0
O O52 1 0.20764600 0.21985500 0.96318400 1.0
O O53 1 0.20530200 0.71286400 0.54621200 1.0
O O54 1 0.12448500 0.71248700 0.95303600 1.0
O O55 1 0.23439900 0.98001800 0.25305500 1.0
O O56 1 0.35426600 0.02246000 0.74976600 1.0
O O57 1 0.48002100 0.27529500 0.04749300 1.0
O O58 1 0.39382400 0.28686400 0.45653300 1.0
O O59 1 0.38685700 0.77322900 0.05555400 1.0
O O60 1 0.30748500 0.78891900 0.45120600 1.0
O O61 1 0.32593400 0.53758600 0.74936800 1.0
O O62 1 0.46584200 0.48832700 0.25153900 1.0
O O63 1 0.49620600 0.23475300 0.52409500 1.0
O O64 1 0.40665300 0.23214400 0.97294500 1.0
O O65 1 0.40306900 0.71702400 0.54651500 1.0
O O66 1 0.32177500 0.71639500 0.95345200 1.0
O O67 1 0.43827600 0.97775700 0.25036700 1.0
O O68 1 0.56324300 0.00900300 0.75331800 1.0
O O69 1 0.59952200 0.27582300 0.45361500 1.0
O O70 1 0.67702900 0.28329400 0.05113700 1.0
O O71 1 0.51138800 0.76876000 0.44443900 1.0
O O72 1 0.59282500 0.78504500 0.04874500 1.0
O O73 1 0.53989600 0.46956900 0.74964600 1.0
O O74 1 0.67330100 0.47536000 0.24522200 1.0
O O75 1 0.69353100 0.21036500 0.54121600 1.0
O O76 1 0.60903700 0.21302500 0.96182500 1.0
O O77 1 0.52715000 0.69313100 0.97658700 1.0
O O78 1 0.61678800 0.69298500 0.52322000 1.0
O O79 1 0.63893700 0.97645900 0.24652200 1.0
O O80 1 0.75950600 0.02532300 0.75533600 1.0
O O81 1 0.79215900 0.28891600 0.46722500 1.0
O O82 1 0.87892100 0.28929000 0.03064400 1.0
O O83 1 0.79070700 0.78868400 0.04344900 1.0
O O84 1 0.70833100 0.78682100 0.45937300 1.0
O O85 1 0.72568100 0.52419600 0.75686500 1.0
O O86 1 0.86213900 0.47866200 0.25085900 1.0
O O87 1 0.88953300 0.21999700 0.54626900 1.0
O O88 1 0.80806000 0.22141800 0.95041700 1.0
O O89 1 0.79738500 0.72723700 0.55802700 1.0
O O90 1 0.72507700 0.71175500 0.95141900 1.0
O O91 1 0.83055900 0.02941100 0.24800400 1.0
O O92 1 0.96197800 0.01300100 0.74940800 1.0
O O93 1 0.99964700 0.26400600 0.47452900 1.0
O O94 1 0.99463300 0.81045800 0.02347400 1.0
O O95 1 0.90368100 0.81132700 0.47477900 1.0
O O96 1 0.93093300 0.52011200 0.74769100 1.0
O O97 1 0.91891900 0.72902100 0.94776500 1.0