Y19Mg97
传统材料 TRAMP-ID: mp-1217184 · 空间群: Amm2 (#38)
基础信息
化学式
Y19Mg97
MP-ID
mp-1217184
元素数
2
位点数
116
密度
2.3518
g/cm³
体积
2,857.30
ų
晶胞参数 a
9.7043
Å
晶胞参数 b
9.7043
Å
晶胞参数 c
32.1136
Å
α 角
90.00
°
β 角
90.00
°
γ 角
109.13
°
空间群
Amm2
点群
mm2
晶体系统
Orthorhombic
Bravais 格子
oC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.01083
eV/atom
能量/原子
-2.44039
eV/atom
凸包距离
0.0268
eV/atom
未修正能量
-2.4404
eV/atom
体积/原子
24.63
ų
c/a 比
3.3092
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
No
总磁矩
1.1827
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000410
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
Mg · 0.836
元素家族
N/A
溶质分数
0.164
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.903
家族
Mg-based Alloy
基质元素
Mg · 0.836
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-1217184
参考引用
The crystal structure and related material properties of Y19Mg97 were obtained from the Materials Project database (MP-ID: mp-1217184, 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_Y19Mg97
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.70428157
_cell_length_b 9.70428157
_cell_length_c 32.11357627
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.12562674
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y19Mg97
_chemical_formula_sum 'Y19 Mg97'
_cell_volume 2857.30412052
_cell_formula_units_Z 1
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
Y Y0 1 0.12214708 0.50112869 0.24996003 1.0
Y Y1 1 0.62210746 0.00161939 0.50000000 1.0
Y Y2 1 0.12214708 0.50112869 0.75003997 1.0
Y Y3 1 0.62457932 0.00113861 -0.00000000 1.0
Y Y4 1 0.50112869 0.12214708 0.24996003 1.0
Y Y5 1 0.00161939 0.62210746 0.50000000 1.0
Y Y6 1 0.50112869 0.12214708 0.75003997 1.0
Y Y7 1 0.00113861 0.62457932 0.00000000 1.0
Y Y8 1 0.68884359 0.68884359 0.15574126 1.0
Y Y9 1 0.18914856 0.18914856 0.40563941 1.0
Y Y10 1 0.68972063 0.68972063 0.65576423 1.0
Y Y11 1 0.18742981 0.18742981 0.90620892 1.0
Y Y12 1 0.18742981 0.18742981 0.09379108 1.0
Y Y13 1 0.68972063 0.68972063 0.34423577 1.0
Y Y14 1 0.18914856 0.18914856 0.59436059 1.0
Y Y15 1 0.68884359 0.68884359 0.84425874 1.0
Y Y16 1 0.50043305 0.50043305 0.24994629 1.0
Y Y17 1 0.00053457 0.00053457 0.50000000 1.0
Y Y18 1 0.50043305 0.50043305 0.75005371 1.0
Mg Mg19 1 0.38986118 0.67451346 -0.00000000 1.0
Mg Mg20 1 0.88946634 0.17273884 0.25001020 1.0
Mg Mg21 1 0.38919933 0.67267513 0.50000000 1.0
Mg Mg22 1 0.88946634 0.17273884 0.74998980 1.0
Mg Mg23 1 0.55102317 0.16358500 0.08173920 1.0
Mg Mg24 1 0.05178212 0.66391966 0.33190002 1.0
Mg Mg25 1 0.55138947 0.16398360 0.58192641 1.0
Mg Mg26 1 0.05186251 0.66323250 0.83167579 1.0
Mg Mg27 1 0.05186251 0.66323250 0.16832421 1.0
Mg Mg28 1 0.55138947 0.16398360 0.41807359 1.0
Mg Mg29 1 0.05178212 0.66391966 0.66809998 1.0
Mg Mg30 1 0.55102317 0.16358500 0.91826080 1.0
Mg Mg31 1 0.67451346 0.38986118 0.00000000 1.0
Mg Mg32 1 0.17273884 0.88946634 0.25001020 1.0
Mg Mg33 1 0.67267513 0.38919933 0.50000000 1.0
Mg Mg34 1 0.17273884 0.88946634 0.74998980 1.0
Mg Mg35 1 0.66323250 0.05186251 0.16832421 1.0
Mg Mg36 1 0.16398360 0.55138947 0.41807359 1.0
Mg Mg37 1 0.66391966 0.05178212 0.66809998 1.0
Mg Mg38 1 0.16358500 0.55102317 0.91826080 1.0
Mg Mg39 1 0.16358500 0.55102317 0.08173920 1.0
Mg Mg40 1 0.66391966 0.05178212 0.33190002 1.0
Mg Mg41 1 0.16398360 0.55138947 0.58192641 1.0
Mg Mg42 1 0.66323250 0.05186251 0.83167579 1.0
Mg Mg43 1 0.97049585 0.97049585 0.17844630 1.0
Mg Mg44 1 0.47013831 0.47013831 0.42858520 1.0
Mg Mg45 1 0.97029659 0.97029659 0.67874641 1.0
Mg Mg46 1 0.46833255 0.46833255 0.92844967 1.0
Mg Mg47 1 0.80519411 0.47910288 0.09704749 1.0
Mg Mg48 1 0.30562935 0.97837892 0.34694296 1.0
Mg Mg49 1 0.80539236 0.47831300 0.59696297 1.0
Mg Mg50 1 0.30544010 0.97910579 0.84694653 1.0
Mg Mg51 1 0.47910288 0.80519411 0.09704749 1.0
Mg Mg52 1 0.97837892 0.30562935 0.34694296 1.0
Mg Mg53 1 0.47831300 0.80539236 0.59696297 1.0
Mg Mg54 1 0.97910579 0.30544010 0.84694653 1.0
Mg Mg55 1 0.46833255 0.46833255 0.07155033 1.0
Mg Mg56 1 0.97029659 0.97029659 0.32125359 1.0
Mg Mg57 1 0.47013831 0.47013831 0.57141480 1.0
Mg Mg58 1 0.97049585 0.97049585 0.82155370 1.0
Mg Mg59 1 0.97910579 0.30544010 0.15305347 1.0
Mg Mg60 1 0.47831300 0.80539236 0.40303703 1.0
Mg Mg61 1 0.97837892 0.30562935 0.65305704 1.0
Mg Mg62 1 0.47910288 0.80519411 0.90295251 1.0
Mg Mg63 1 0.30544010 0.97910579 0.15305347 1.0
Mg Mg64 1 0.80539236 0.47831300 0.40303703 1.0
Mg Mg65 1 0.30562935 0.97837892 0.65305704 1.0
Mg Mg66 1 0.80519411 0.47910288 0.90295251 1.0
Mg Mg67 1 0.99963480 0.99963480 0.00000000 1.0
Mg Mg68 1 0.36942470 0.18925952 0.00000000 1.0
Mg Mg69 1 0.86793483 0.68897554 0.24995176 1.0
Mg Mg70 1 0.36845533 0.18917391 0.50000000 1.0
Mg Mg71 1 0.86793483 0.68897554 0.75004824 1.0
Mg Mg72 1 0.77378552 0.40520838 0.20259523 1.0
Mg Mg73 1 0.27344286 0.90493082 0.45260537 1.0
Mg Mg74 1 0.77338275 0.40506204 0.70269509 1.0
Mg Mg75 1 0.27430455 0.90468240 0.95258842 1.0
Mg Mg76 1 0.27430455 0.90468240 0.04741158 1.0
Mg Mg77 1 0.77338275 0.40506204 0.29730491 1.0
Mg Mg78 1 0.27344286 0.90493082 0.54739463 1.0
Mg Mg79 1 0.77378552 0.40520838 0.79740477 1.0
Mg Mg80 1 0.18925952 0.36942470 -0.00000000 1.0
Mg Mg81 1 0.68897554 0.86793483 0.24995176 1.0
Mg Mg82 1 0.18917391 0.36845533 0.50000000 1.0
Mg Mg83 1 0.68897554 0.86793483 0.75004824 1.0
Mg Mg84 1 0.90468240 0.27430455 0.04741158 1.0
Mg Mg85 1 0.40506204 0.77338275 0.29730491 1.0
Mg Mg86 1 0.90493082 0.27344286 0.54739463 1.0
Mg Mg87 1 0.40520838 0.77378552 0.79740477 1.0
Mg Mg88 1 0.40520838 0.77378552 0.20259523 1.0
Mg Mg89 1 0.90493082 0.27344286 0.45260537 1.0
Mg Mg90 1 0.40506204 0.77338275 0.70269509 1.0
Mg Mg91 1 0.90468240 0.27430455 0.95258842 1.0
Mg Mg92 1 0.71921747 0.71921747 0.04445063 1.0
Mg Mg93 1 0.22038341 0.22038341 0.29425652 1.0
Mg Mg94 1 0.71975429 0.71975429 0.54442277 1.0
Mg Mg95 1 0.21991098 0.21991098 0.79445719 1.0
Mg Mg96 1 0.81472651 0.00590389 0.09260093 1.0
Mg Mg97 1 0.31537162 0.50593670 0.34220468 1.0
Mg Mg98 1 0.81554841 0.00608735 0.59228619 1.0
Mg Mg99 1 0.31556840 0.50613849 0.84237307 1.0
Mg Mg100 1 0.00590389 0.81472651 0.09260093 1.0
Mg Mg101 1 0.50593670 0.31537162 0.34220468 1.0
Mg Mg102 1 0.00608735 0.81554841 0.59228619 1.0
Mg Mg103 1 0.50613849 0.31556840 0.84237307 1.0
Mg Mg104 1 0.21991098 0.21991098 0.20554281 1.0
Mg Mg105 1 0.71975429 0.71975429 0.45557723 1.0
Mg Mg106 1 0.22038341 0.22038341 0.70574348 1.0
Mg Mg107 1 0.71921747 0.71921747 0.95554937 1.0
Mg Mg108 1 0.50613849 0.31556840 0.15762693 1.0
Mg Mg109 1 0.00608735 0.81554841 0.40771381 1.0
Mg Mg110 1 0.50593670 0.31537162 0.65779532 1.0
Mg Mg111 1 0.00590389 0.81472651 0.90739907 1.0
Mg Mg112 1 0.31556840 0.50613849 0.15762693 1.0
Mg Mg113 1 0.81554841 0.00608735 0.40771381 1.0
Mg Mg114 1 0.31537162 0.50593670 0.65779532 1.0
Mg Mg115 1 0.81472651 0.00590389 0.90739907 1.0