Gd3OsO7
传统材料 TRAMP-ID: mp-567291 · 空间群: Pna2_1 (#33)
基础信息
化学式
Gd3OsO7
MP-ID
mp-567291
元素数
3
位点数
88
密度
8.6078
g/cm³
体积
1,194.46
ų
晶胞参数 a
7.4526
Å
晶胞参数 b
10.6973
Å
晶胞参数 c
14.9826
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pna2_1
点群
mm2
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-3.14472
eV/atom
能量/原子
-11.15304
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-10.7159
eV/atom
体积/原子
13.57
ų
c/a 比
2.0104
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
101.3781
μB
磁有序
FiM
磁性位点数
32
磁化强度/体积
0.084870
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 · 0.636
元素家族
N/A
溶质分数
0.364
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.617
家族
O-rich Multi-Component
基质元素
O · 0.636
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-567291
参考引用
The crystal structure and related material properties of Gd3OsO7 were obtained from the Materials Project database (MP-ID: mp-567291, 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_Gd3OsO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45264488
_cell_length_b 10.69734114
_cell_length_c 14.98256648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd3OsO7
_chemical_formula_sum 'Gd24 Os8 O56'
_cell_volume 1194.46240918
_cell_formula_units_Z 8
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
Gd Gd0 1 0.75032522 0.94356257 0.97519484 1.0
Gd Gd1 1 0.00380668 0.68903445 0.36128718 1.0
Gd Gd2 1 0.49619332 0.68903445 0.86128718 1.0
Gd Gd3 1 0.49594448 0.17056349 0.61067681 1.0
Gd Gd4 1 0.26036618 0.90235622 0.01708846 1.0
Gd Gd5 1 0.50405552 0.67056349 0.38932319 1.0
Gd Gd6 1 0.74533326 0.91572299 0.22538907 1.0
Gd Gd7 1 0.99594448 0.67056349 0.88932319 1.0
Gd Gd8 1 0.75575441 0.45683562 0.73258716 1.0
Gd Gd9 1 0.24533326 0.41572299 0.27461093 1.0
Gd Gd10 1 0.23963382 0.90235622 0.51708846 1.0
Gd Gd11 1 0.24424559 0.95683562 0.26741284 1.0
Gd Gd12 1 0.73963382 0.40235622 0.98291154 1.0
Gd Gd13 1 0.76036618 0.40235622 0.48291154 1.0
Gd Gd14 1 0.75466674 0.91572299 0.72538907 1.0
Gd Gd15 1 0.25575441 0.95683562 0.76741284 1.0
Gd Gd16 1 0.99619332 0.18903445 0.63871282 1.0
Gd Gd17 1 0.50380668 0.18903445 0.13871282 1.0
Gd Gd18 1 0.74424559 0.45683562 0.23258716 1.0
Gd Gd19 1 0.24967478 0.44356257 0.02480516 1.0
Gd Gd20 1 0.25032522 0.44356257 0.52480516 1.0
Gd Gd21 1 0.00405552 0.17056349 0.11067681 1.0
Gd Gd22 1 0.25466674 0.41572299 0.77461093 1.0
Gd Gd23 1 0.74967478 0.94356257 0.47519484 1.0
Os Os24 1 0.00190403 0.67854398 0.62629825 1.0
Os Os25 1 0.00172669 0.18012194 0.87520415 1.0
Os Os26 1 0.99827331 0.68012194 0.12479585 1.0
Os Os27 1 0.99809597 0.17854398 0.37370175 1.0
Os Os28 1 0.49809597 0.67854398 0.12629825 1.0
Os Os29 1 0.50172669 0.68012194 0.62479585 1.0
Os Os30 1 0.49827331 0.18012194 0.37520415 1.0
Os Os31 1 0.50190403 0.17854398 0.87370175 1.0
O O32 1 0.03595917 0.05096387 0.97004905 1.0
O O33 1 0.25099355 0.66775740 0.59118963 1.0
O O34 1 0.46757077 0.28083077 0.98648633 1.0
O O35 1 0.23948322 0.04859239 0.62795887 1.0
O O36 1 0.74819069 0.69030141 0.15914445 1.0
O O37 1 0.54530986 0.33077828 0.80862684 1.0
O O38 1 0.45469014 0.83077828 0.19137316 1.0
O O39 1 0.03128530 0.81117604 0.22083029 1.0
O O40 1 0.47086981 0.55661502 0.72309467 1.0
O O41 1 0.52913019 0.05661502 0.27690533 1.0
O O42 1 0.25180931 0.19030141 0.84085555 1.0
O O43 1 0.53344823 0.07438403 0.76144919 1.0
O O44 1 0.76429437 0.81384584 0.85633761 1.0
O O45 1 0.96871470 0.31117604 0.77916971 1.0
O O46 1 0.03974994 0.02222547 0.43774763 1.0
O O47 1 0.23370065 0.81083031 0.87813856 1.0
O O48 1 0.96655177 0.07438403 0.26144919 1.0
O O49 1 0.73370065 0.31083031 0.62186144 1.0
O O50 1 0.52893316 0.80616511 0.52786834 1.0
O O51 1 0.75180931 0.69030141 0.65914445 1.0
O O52 1 0.53595917 0.55096387 0.52995095 1.0
O O53 1 0.96757077 0.78083077 0.51351367 1.0
O O54 1 0.23315022 0.54479282 0.39431009 1.0
O O55 1 0.76051678 0.54859239 0.37204113 1.0
O O56 1 0.03344823 0.57438403 0.73855081 1.0
O O57 1 0.23570563 0.31384584 0.14366239 1.0
O O58 1 0.73315022 0.04479282 0.10568991 1.0
O O59 1 0.53974994 0.52222547 0.06225237 1.0
O O60 1 0.26684978 0.54479282 0.89431009 1.0
O O61 1 0.76629935 0.31083031 0.12186144 1.0
O O62 1 0.04530986 0.83077828 0.69137316 1.0
O O63 1 0.47106684 0.30616511 0.47213166 1.0
O O64 1 0.26429437 0.31384584 0.64366239 1.0
O O65 1 0.26629935 0.81083031 0.37813856 1.0
O O66 1 0.26051678 0.04859239 0.12795887 1.0
O O67 1 0.75099355 0.16775740 0.90881037 1.0
O O68 1 0.73570563 0.81384584 0.35633761 1.0
O O69 1 0.24900645 0.66775740 0.09118963 1.0
O O70 1 0.53242923 0.78083077 0.01351367 1.0
O O71 1 0.46025006 0.02222547 0.93774763 1.0
O O72 1 0.76684978 0.04479282 0.60568991 1.0
O O73 1 0.96025006 0.52222547 0.56225237 1.0
O O74 1 0.97086981 0.05661502 0.77690533 1.0
O O75 1 0.46404083 0.05096387 0.47004905 1.0
O O76 1 0.46655177 0.57438403 0.23855081 1.0
O O77 1 0.02893316 0.30616511 0.97213166 1.0
O O78 1 0.53128530 0.31117604 0.27916971 1.0
O O79 1 0.24819069 0.19030141 0.34085555 1.0
O O80 1 0.46871470 0.81117604 0.72083029 1.0
O O81 1 0.73948322 0.54859239 0.87204113 1.0
O O82 1 0.74900645 0.16775740 0.40881037 1.0
O O83 1 0.02913019 0.55661502 0.22309467 1.0
O O84 1 0.97106684 0.80616511 0.02786834 1.0
O O85 1 0.96404083 0.55096387 0.02995095 1.0
O O86 1 0.95469014 0.33077828 0.30862684 1.0
O O87 1 0.03242923 0.28083077 0.48648633 1.0