Sm3OsO7
传统材料 TRAMP-ID: mp-555639 · 空间群: Pna2_1 (#33)
基础信息
化学式
Sm3OsO7
MP-ID
mp-555639
元素数
3
位点数
88
密度
8.4764
g/cm³
体积
1,180.59
ų
晶胞参数 a
7.4192
Å
晶胞参数 b
10.7447
Å
晶胞参数 c
14.8097
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
No
堆积分数
-
能量属性
形成能/原子
-3.13403
eV/atom
能量/原子
-8.59029
eV/atom
凸包距离
0.0008
eV/atom
未修正能量
-8.1531
eV/atom
体积/原子
13.42
ų
c/a 比
1.9961
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
23.9968
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.020330
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
B
评分
0.557
家族
O-rich Multi-Component
基质元素
O · 0.636
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-555639
参考引用
The crystal structure and related material properties of Sm3OsO7 were obtained from the Materials Project database (MP-ID: mp-555639, 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_Sm3OsO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41920543
_cell_length_b 10.74468896
_cell_length_c 14.80972598
_cell_angle_alpha 89.99999711
_cell_angle_beta 89.99967742
_cell_angle_gamma 89.99970449
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm3OsO7
_chemical_formula_sum 'Sm24 Os8 O56'
_cell_volume 1180.58773571
_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
Sm Sm0 1 0.00318025 0.17136732 0.11068201 1.0
Sm Sm1 1 0.49682466 0.17137128 0.61068047 1.0
Sm Sm2 1 0.49696694 0.68801475 0.86127571 1.0
Sm Sm3 1 0.75162590 0.94899980 0.97124580 1.0
Sm Sm4 1 0.00303887 0.68801905 0.36127564 1.0
Sm Sm5 1 0.74296178 0.90956422 0.22141078 1.0
Sm Sm6 1 0.99696601 0.18801505 0.63872551 1.0
Sm Sm7 1 0.23357396 0.89812446 0.52368515 1.0
Sm Sm8 1 0.75702486 0.46038389 0.72653295 1.0
Sm Sm9 1 0.50317976 0.67136763 0.38931751 1.0
Sm Sm10 1 0.24296085 0.40957105 0.27859120 1.0
Sm Sm11 1 0.25702283 0.96039007 0.77346569 1.0
Sm Sm12 1 0.99682404 0.67137128 0.88931944 1.0
Sm Sm13 1 0.75703868 0.90956942 0.72140740 1.0
Sm Sm14 1 0.25703758 0.40956202 0.77859026 1.0
Sm Sm15 1 0.25162582 0.44899918 0.52875359 1.0
Sm Sm16 1 0.24298059 0.96037924 0.27346199 1.0
Sm Sm17 1 0.74837142 0.94899661 0.47124620 1.0
Sm Sm18 1 0.74298267 0.46038540 0.22653921 1.0
Sm Sm19 1 0.26642822 0.89812692 0.02368506 1.0
Sm Sm20 1 0.76642824 0.39812780 0.47631692 1.0
Sm Sm21 1 0.73357337 0.39812351 0.97631254 1.0
Sm Sm22 1 0.50303777 0.18801900 0.13872318 1.0
Sm Sm23 1 0.24837070 0.44899717 0.02875428 1.0
Os Os24 1 0.49775156 0.67774463 0.12626582 1.0
Os Os25 1 0.99819160 0.68038241 0.12487354 1.0
Os Os26 1 0.50178323 0.68037891 0.62487838 1.0
Os Os27 1 0.99775355 0.17774303 0.37373662 1.0
Os Os28 1 0.00224431 0.67775533 0.62626738 1.0
Os Os29 1 0.49819985 0.18038245 0.37512519 1.0
Os Os30 1 0.50224638 0.17775693 0.87372998 1.0
Os Os31 1 0.00179149 0.18037896 0.87512304 1.0
O O32 1 0.24126728 0.04917784 0.63087112 1.0
O O33 1 0.73480860 0.81261609 0.35594631 1.0
O O34 1 0.44929553 0.83182216 0.18927875 1.0
O O35 1 0.46603507 0.30724348 0.46834676 1.0
O O36 1 0.26515615 0.81030699 0.38109825 1.0
O O37 1 0.04267645 0.05291765 0.96762857 1.0
O O38 1 0.76515573 0.31030649 0.11890041 1.0
O O39 1 0.75873758 0.54917839 0.36913176 1.0
O O40 1 0.23484535 0.81030384 0.88109631 1.0
O O41 1 0.45732850 0.05292099 0.46762990 1.0
O O42 1 0.74853691 0.68729380 0.16959715 1.0
O O43 1 0.45855461 0.57516176 0.23617272 1.0
O O44 1 0.95678749 0.52057680 0.56313308 1.0
O O45 1 0.96381722 0.30963055 0.78109975 1.0
O O46 1 0.46465454 0.55600825 0.71979377 1.0
O O47 1 0.26741817 0.54573556 0.89476381 1.0
O O48 1 0.95732626 0.55292003 0.03237050 1.0
O O49 1 0.45828244 0.27914211 0.98433868 1.0
O O50 1 0.24834208 0.67047328 0.08111619 1.0
O O51 1 0.03534185 0.55601609 0.21979090 1.0
O O52 1 0.75165211 0.17046596 0.91888318 1.0
O O53 1 0.03618723 0.80963177 0.21890091 1.0
O O54 1 0.95828563 0.77914124 0.51566291 1.0
O O55 1 0.95855296 0.07515881 0.26382581 1.0
O O56 1 0.25165212 0.67046629 0.58111509 1.0
O O57 1 0.04321225 0.02057941 0.43687724 1.0
O O58 1 0.05071149 0.83182918 0.68928111 1.0
O O59 1 0.03396724 0.30723830 0.96834344 1.0
O O60 1 0.26518966 0.31261569 0.64405467 1.0
O O61 1 0.23480791 0.31261615 0.14405233 1.0
O O62 1 0.53618869 0.30963450 0.28109775 1.0
O O63 1 0.76741769 0.04573482 0.60523694 1.0
O O64 1 0.54171763 0.77913574 0.01566162 1.0
O O65 1 0.45678479 0.02057527 0.93686707 1.0
O O66 1 0.74126758 0.54917800 0.86912971 1.0
O O67 1 0.76519010 0.81261600 0.85594607 1.0
O O68 1 0.25145714 0.18728580 0.83040232 1.0
O O69 1 0.53534339 0.05601287 0.28020803 1.0
O O70 1 0.25873758 0.04917869 0.13086742 1.0
O O71 1 0.23257953 0.54573607 0.39476438 1.0
O O72 1 0.54267445 0.55291799 0.53237053 1.0
O O73 1 0.54145274 0.07517563 0.76382658 1.0
O O74 1 0.54321451 0.52057730 0.06312172 1.0
O O75 1 0.73257886 0.04573717 0.10523513 1.0
O O76 1 0.94929429 0.33182322 0.31071919 1.0
O O77 1 0.04145424 0.57517310 0.73617422 1.0
O O78 1 0.73484504 0.31030413 0.61890459 1.0
O O79 1 0.53396491 0.80723709 0.53165618 1.0
O O80 1 0.46381556 0.80963427 0.71890184 1.0
O O81 1 0.96603273 0.80724415 0.03165394 1.0
O O82 1 0.55071051 0.33182738 0.81072143 1.0
O O83 1 0.75145423 0.68728602 0.66959744 1.0
O O84 1 0.74834174 0.17047353 0.41888514 1.0
O O85 1 0.96465568 0.05601077 0.78020664 1.0
O O86 1 0.04171494 0.27913512 0.48433714 1.0
O O87 1 0.24854033 0.18729363 0.33040318 1.0