La8Mn9O27

高熵材料 HEA 传统材料 TRA

MP-ID: mp-698617 · 空间群: C2/c (#15)

Materials Project API

基础信息

化学式

La8Mn9O27

MP-ID

mp-698617

元素数

位点数

密度

6.2686

g/cm³

体积

1,079.56

Å³

晶胞参数 a

16.5429

晶胞参数 b

9.5248

晶胞参数 c

16.5246

α 角

55.33

β 角

60.58

γ 角

30.27

空间群

C2/c

点群

2/m

晶体系统

Monoclinic

Bravais 格子

稳定性

堆积分数

X 射线衍射

衍射图谱

靶材 / 辐射源

横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å

衍射峰（Top 24）

2θ	d (Å)	I	hkl
10.61	8.3393	1.1	(1,0,0)
10.70	8.2708	2.2	(1,1,1)
12.45	7.1079	6.2	(1,0,1)
12.48	7.0908	6.2	(2,1,0)
12.57	7.0403	5.8	(1,1,2)
13.03	6.7957	3.0	(0,0,2)
16.82	5.2715	1.1	(2,1,-1)
16.83	5.2680	2.1	(1,0,2)
16.95	5.2300	1.3	(1,1,3)
18.48	4.8014	3.9	(0,1,1)
18.63	4.7622	1.8	(3,2,2)
21.49	4.1354	1.4	(2,2,2)
22.30	3.9869	2.5	(2,1,-2)
22.30	3.9863	2.8	(2,0,1)
22.33	3.9809	2.3	(1,0,3)
22.42	3.9652	2.3	(4,2,1)
22.45	3.9600	2.8	(1,1,4)
22.52	3.9475	2.3	(2,2,3)
22.63	3.9300	3.0	(3,1,-1)
22.70	3.9170	10.8	(3,2,0)
22.73	3.9128	21.3	(0,1,3)
22.90	3.8831	1.5	(3,2,4)
26.23	3.3978	1.1	(0,0,4)
29.10	3.0691	1.3	(4,1,0)

获取直接链接

能量属性

形成能/原子

-2.87561

eV/atom

能量/原子

-8.68337

eV/atom

凸包距离

0.2254

eV/atom

未修正能量

-7.9206

eV/atom

体积/原子

12.27

Å³

c/a 比

0.9989

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

Yes

总磁矩

65.9982

μB

磁有序

磁性位点数

磁化强度/体积

0.061130

μB/Å³

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 · 0.614

元素家族

N/A

溶质分数

0.386

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.434

家族

O-rich Multi-Component

基质元素

O · 0.614

关联任务

关联的计算任务 ID（1 个）

aaabntlx

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-698617

参考引用

The crystal structure and related material properties of La8Mn9O27 were obtained from the Materials Project database (MP-ID: mp-698617, 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 | 拖拽旋转 · 滚轮缩放 · 右键平移

原始 CIF 数据

# generated using pymatgen
data_La8Mn9O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54290658
_cell_length_b   9.52481093
_cell_length_c   16.52461643
_cell_angle_alpha   55.33485132
_cell_angle_beta   60.57893605
_cell_angle_gamma   30.27153719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La8Mn9O27
_chemical_formula_sum   'La16 Mn18 O54'
_cell_volume   1079.55759863
_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
  La  La0  1  0.00252160  0.23772264  0.08408442  1.0
  La  La1  1  0.00252160  0.25471256  0.41591558  1.0
  La  La2  1  0.99625031  0.25562453  0.75000000  1.0
  La  La3  1  0.32662389  0.26218183  0.08579920  1.0
  La  La4  1  0.00670911  0.74205449  0.58579920  1.0
  La  La5  1  0.32662389  0.25794551  0.41420080  1.0
  La  La6  1  0.00670911  0.73781817  0.91420080  1.0
  La  La7  1  0.33708269  0.74437547  0.25000000  1.0
  La  La8  1  0.67560881  0.23599671  0.08851084  1.0
  La  La9  1  0.33081140  0.74528744  0.58408442  1.0
  La  La10  1  0.67560881  0.23717786  0.41148916  1.0
  La  La11  1  0.33081140  0.76227736  0.91591558  1.0
  La  La12  1  0.66235800  0.25646350  0.75000000  1.0
  La  La13  1  0.67097600  0.74353650  0.25000000  1.0
  La  La14  1  0.65772519  0.76282214  0.58851084  1.0
  La  La15  1  0.65772519  0.76400329  0.91148916  1.0
  Mn  Mn16  1  0.00019060  0.99691724  0.00193406  1.0
  Mn  Mn17  1  0.00112718  0.50007039  0.16775826  1.0
  Mn  Mn18  1  0.33314240  0.00308276  0.99806594  1.0
  Mn  Mn19  1  0.00019060  0.50251098  0.49806594  1.0
  Mn  Mn20  1  0.00296472  0.49734029  0.83280242  1.0
  Mn  Mn21  1  0.00112718  0.99654807  0.33224174  1.0
  Mn  Mn22  1  0.33036828  0.50265971  0.16719758  1.0
  Mn  Mn23  1  0.66666700  0.00000000  0.00000000  1.0
  Mn  Mn24  1  0.00296472  0.99376554  0.66719758  1.0
  Mn  Mn25  1  0.33314240  0.49748902  0.50193406  1.0
  Mn  Mn26  1  0.33220582  0.49992961  0.83224174  1.0
  Mn  Mn27  1  0.33036828  0.00623446  0.33280242  1.0
  Mn  Mn28  1  0.66927823  0.49514259  0.16694059  1.0
  Mn  Mn29  1  0.33220582  0.00345193  0.66775826  1.0
  Mn  Mn30  1  0.66666700  0.50000000  0.50000000  1.0
  Mn  Mn31  1  0.66405577  0.50485741  0.83305941  1.0
  Mn  Mn32  1  0.66927823  0.99702372  0.33305941  1.0
  Mn  Mn33  1  0.66405577  0.00297628  0.66694059  1.0
  O  O34  1  0.03498846  0.19751781  0.25000000  1.0
  O  O35  1  0.14991089  0.30118862  0.06612672  1.0
  O  O36  1  0.03379732  0.20008983  0.58429754  1.0
  O  O37  1  0.19484533  0.21863146  0.23310083  1.0
  O  O38  1  0.15853936  0.27183316  0.40983017  1.0
  O  O39  1  0.15853936  0.75254775  0.09016983  1.0
  O  O40  1  0.03379732  0.19851922  0.91570246  1.0
  O  O41  1  0.18342211  0.25092229  0.56612672  1.0
  O  O42  1  0.37513474  0.18729789  0.25000000  1.0
  O  O43  1  0.13848767  0.30316744  0.73310083  1.0
  O  O44  1  0.19484533  0.69683256  0.26689917  1.0
  O  O45  1  0.48317521  0.30479520  0.06430393  1.0
  O  O46  1  0.14991089  0.74907771  0.43387328  1.0
  O  O47  1  0.29953668  0.80148078  0.08429754  1.0
  O  O48  1  0.17479364  0.24745225  0.90983017  1.0
  O  O49  1  0.36721507  0.19961673  0.57294598  1.0
  O  O50  1  0.51959333  0.24528831  0.23223717  1.0
  O  O51  1  0.17479364  0.72816684  0.59016983  1.0
  O  O52  1  0.48341715  0.30136359  0.39906574  1.0
  O  O53  1  0.13848767  0.78136854  0.76689917  1.0
  O  O54  1  0.29953668  0.79991017  0.41570246  1.0
  O  O55  1  0.48341715  0.74838597  0.10093426  1.0
  O  O56  1  0.36721507  0.19873806  0.92705402  1.0
  O  O57  1  0.52262148  0.25020070  0.56068698  1.0
  O  O58  1  0.68139459  0.22790762  0.25000000  1.0
  O  O59  1  0.18342211  0.69881138  0.93387328  1.0
  O  O60  1  0.49257140  0.30229670  0.73170429  1.0
  O  O61  1  0.51959333  0.69593070  0.26776283  1.0
  O  O62  1  0.81071152  0.31806614  0.06068698  1.0
  O  O63  1  0.29834554  0.80248219  0.75000000  1.0
  O  O64  1  0.48317521  0.74568018  0.43569607  1.0
  O  O65  1  0.62657221  0.81291082  0.08231887  1.0
  O  O66  1  0.51793345  0.25097905  0.89892074  1.0
  O  O67  1  0.70676079  0.19262745  0.58231887  1.0
  O  O68  1  0.84076260  0.28000990  0.23170429  1.0
  O  O69  1  0.51793345  0.69521959  0.60107926  1.0
  O  O70  1  0.81539955  0.30478041  0.39892074  1.0
  O  O71  1  0.49257140  0.71999010  0.76829571  1.0
  O  O72  1  0.62657221  0.80737255  0.41768113  1.0
  O  O73  1  0.81539955  0.74902095  0.10107926  1.0
  O  O74  1  0.70676079  0.18708918  0.91768113  1.0
  O  O75  1  0.85015879  0.25431982  0.56430393  1.0
  O  O76  1  0.52262148  0.68193386  0.93931302  1.0
  O  O77  1  0.81373967  0.30406930  0.73223717  1.0
  O  O78  1  0.84076260  0.69770330  0.26829571  1.0
  O  O79  1  0.65193841  0.77209238  0.75000000  1.0
  O  O80  1  0.81071152  0.74979930  0.43931302  1.0
  O  O81  1  0.96611793  0.80126194  0.07294598  1.0
  O  O82  1  0.84991685  0.25161403  0.89906574  1.0
  O  O83  1  0.84991685  0.69863641  0.60093426  1.0
  O  O84  1  0.81373967  0.75471169  0.76776283  1.0
  O  O85  1  0.96611793  0.80038327  0.42705402  1.0
  O  O86  1  0.85015879  0.69520480  0.93569607  1.0
  O  O87  1  0.95819826  0.81270211  0.75000000  1.0

获取直接链接