Na15Re7N19

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1029650 · 空间群: P-1 (#2)

Materials Project API

基础信息

化学式

Na15Re7N19

MP-ID

mp-1029650

元素数

位点数

密度

4.8099

g/cm³

体积

1,321.86

Å³

晶胞参数 a

6.1479

晶胞参数 b

11.9350

晶胞参数 c

18.3835

α 角

91.54

β 角

93.08

γ 角

100.86

空间群

P-1

点群

-1

晶体系统

Triclinic

Bravais 格子

稳定性

Yes

堆积分数

X 射线衍射

衍射图谱

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
7.55	11.7128	22.6	(0,1,0)
8.80	10.0456	2.7	(0,1,-1)
9.11	9.7071	1.5	(0,1,1)
14.70	6.0269	2.5	(1,0,0)
15.13	5.8564	16.0	(0,2,0)
15.71	5.6410	14.1	(0,2,-1)
15.75	5.6268	41.4	(1,0,1)
15.77	5.6192	4.9	(1,-1,-1)
16.06	5.5189	9.5	(0,2,1)
16.13	5.4938	19.8	(1,-1,1)
16.61	5.3384	3.1	(0,1,3)
17.11	5.1812	53.3	(1,0,-2)
17.66	5.0228	13.1	(0,2,-2)
17.71	5.0092	34.2	(1,-1,-2)
17.79	4.9870	26.7	(1,1,0)
18.09	4.9039	100.0	(1,0,2)
18.13	4.8943	22.3	(1,1,-1)
18.28	4.8536	27.0	(0,2,2)
18.74	4.7343	1.1	(1,1,1)
19.02	4.6672	14.0	(1,-2,0)
19.36	4.5860	10.4	(0,0,4)
19.55	4.5408	41.7	(1,-2,-1)
19.70	4.5071	5.3	(1,1,-2)
19.70	4.5056	27.9	(1,-2,1)

获取直接链接

能量属性

形成能/原子

-0.40075

eV/atom

能量/原子

-6.88099

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-6.7137

eV/atom

体积/原子

16.12

Å³

c/a 比

2.9902

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

总磁矩

0.0000

μB

磁有序

磁性位点数

磁化强度/体积

0.000000

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

N · 0.463

元素家族

N/A

溶质分数

0.537

间隙分数

0.463

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.446

家族

N-rich Multi-Component

基质元素

N · 0.463

关联任务

关联的计算任务 ID（2 个）

aaacgpff aaacgpru

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-1029650

参考引用

The crystal structure and related material properties of Na15Re7N19 were obtained from the Materials Project database (MP-ID: mp-1029650, 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_Na15Re7N19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14787471
_cell_length_b   11.93494754
_cell_length_c   18.38354187
_cell_angle_alpha   91.54215339
_cell_angle_beta   93.07826464
_cell_angle_gamma   100.86233692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na15Re7N19
_chemical_formula_sum   'Na30 Re14 N38'
_cell_volume   1321.86120334
_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
  Na  Na0  1  0.54144500  0.62496600  0.44770900  1.0
  Na  Na1  1  0.45855500  0.37503400  0.55229100  1.0
  Na  Na2  1  0.56957700  0.14369000  0.63443300  1.0
  Na  Na3  1  0.43042300  0.85631000  0.36556700  1.0
  Na  Na4  1  0.71981900  0.01230000  0.19739100  1.0
  Na  Na5  1  0.28018100  0.98770000  0.80260900  1.0
  Na  Na6  1  0.89207000  0.02100700  0.38395500  1.0
  Na  Na7  1  0.10793000  0.97899300  0.61604500  1.0
  Na  Na8  1  0.84828800  0.77357500  0.29637300  1.0
  Na  Na9  1  0.15171200  0.22642500  0.70362700  1.0
  Na  Na10  1  0.85934400  0.16008800  0.83482200  1.0
  Na  Na11  1  0.14065600  0.83991200  0.16517800  1.0
  Na  Na12  1  0.86272500  0.90441800  0.89766900  1.0
  Na  Na13  1  0.13727500  0.09558200  0.10233100  1.0
  Na  Na14  1  0.73187600  0.08973900  0.00616100  1.0
  Na  Na15  1  0.26812400  0.91026100  0.99383900  1.0
  Na  Na16  1  0.63292100  0.91240300  0.53304900  1.0
  Na  Na17  1  0.36707900  0.08759700  0.46695100  1.0
  Na  Na18  1  0.68875200  0.48554800  0.28709100  1.0
  Na  Na19  1  0.31124800  0.51445200  0.71290900  1.0
  Na  Na20  1  0.98349600  0.35002100  0.02139500  1.0
  Na  Na21  1  0.01650400  0.64997900  0.97860500  1.0
  Na  Na22  1  0.87877700  0.68188400  0.78639000  1.0
  Na  Na23  1  0.12122300  0.31811600  0.21361000  1.0
  Na  Na24  1  0.72142300  0.25212800  0.38208200  1.0
  Na  Na25  1  0.27857700  0.74787200  0.61791800  1.0
  Na  Na26  1  0.57358600  0.36082600  0.84050000  1.0
  Na  Na27  1  0.42641400  0.63917400  0.15950000  1.0
  Na  Na28  1  0.00000000  0.50000000  0.50000000  1.0
  Na  Na29  1  0.50000000  0.50000000  0.00000000  1.0
  Re  Re30  1  0.59638100  0.25625500  0.13118800  1.0
  Re  Re31  1  0.40361900  0.74374500  0.86881200  1.0
  Re  Re32  1  0.79941100  0.38807000  0.69106000  1.0
  Re  Re33  1  0.20058900  0.61193000  0.30894000  1.0
  Re  Re34  1  0.74095700  0.64626800  0.61688100  1.0
  Re  Re35  1  0.25904300  0.35373200  0.38311900  1.0
  Re  Re36  1  0.02299100  0.78120000  0.46265500  1.0
  Re  Re37  1  0.97700900  0.21880000  0.53734500  1.0
  Re  Re38  1  0.90101200  0.55336100  0.13072800  1.0
  Re  Re39  1  0.09898800  0.44663900  0.86927200  1.0
  Re  Re40  1  0.68803000  0.91450300  0.71954000  1.0
  Re  Re41  1  0.31197000  0.08549700  0.28046000  1.0
  Re  Re42  1  0.68731300  0.80830100  0.05672200  1.0
  Re  Re43  1  0.31268700  0.19169900  0.94327800  1.0
  N  N44  1  0.84478100  0.19904500  0.12562200  1.0
  N  N45  1  0.15521900  0.80095500  0.87437800  1.0
  N  N46  1  0.86402600  0.31502800  0.60488600  1.0
  N  N47  1  0.13597400  0.68497200  0.39511400  1.0
  N  N48  1  0.55167600  0.04212200  0.32135400  1.0
  N  N49  1  0.44832400  0.95787800  0.67864600  1.0
  N  N50  1  0.59079400  0.81012100  0.79965700  1.0
  N  N51  1  0.40920600  0.18987900  0.20034300  1.0
  N  N52  1  0.68496700  0.42005300  0.13952900  1.0
  N  N53  1  0.31503300  0.57994700  0.86047100  1.0
  N  N54  1  0.53909800  0.41385900  0.41407900  1.0
  N  N55  1  0.46090200  0.58614100  0.58592100  1.0
  N  N56  1  0.75669700  0.10648000  0.50130400  1.0
  N  N57  1  0.24330300  0.89352000  0.49869600  1.0
  N  N58  1  0.91793900  0.67621500  0.53625000  1.0
  N  N59  1  0.08206100  0.32378500  0.46375000  1.0
  N  N60  1  0.94304500  0.91169500  0.05869800  1.0
  N  N61  1  0.05695500  0.08830500  0.94130200  1.0
  N  N62  1  0.78210200  0.82852100  0.42402300  1.0
  N  N63  1  0.21789800  0.17147900  0.57597700  1.0
  N  N64  1  0.75940700  0.78389100  0.66749700  1.0
  N  N65  1  0.24059300  0.21610900  0.33250300  1.0
  N  N66  1  0.86930800  0.47070300  0.91819900  1.0
  N  N67  1  0.13069200  0.52929700  0.08180100  1.0
  N  N68  1  0.56584800  0.77036300  0.95944200  1.0
  N  N69  1  0.43415200  0.22963700  0.04055800  1.0
  N  N70  1  0.75489300  0.66718800  0.08840500  1.0
  N  N71  1  0.24510700  0.33281200  0.91159500  1.0
  N  N72  1  0.92644300  0.02817900  0.73874800  1.0
  N  N73  1  0.07355700  0.97182100  0.26125200  1.0
  N  N74  1  0.00534200  0.61229300  0.22645800  1.0
  N  N75  1  0.99465800  0.38770700  0.77354200  1.0
  N  N76  1  0.88977600  0.55268800  0.67527400  1.0
  N  N77  1  0.11022400  0.44731200  0.32472600  1.0
  N  N78  1  0.51352600  0.34869400  0.70905100  1.0
  N  N79  1  0.48647400  0.65130600  0.29094900  1.0
  N  N80  1  0.48709600  0.85576800  0.11188300  1.0
  N  N81  1  0.51290400  0.14423200  0.88811700  1.0

获取直接链接