CeSnAu

高熵材料 HEA 传统材料 TRA

MP-ID: mp-11081 · 空间群: P6_3mc (#186)

Materials Project API

基础信息

化学式

CeSnAu

MP-ID

mp-11081

元素数

位点数

密度

9.8392

g/cm³

体积

153.85

Å³

晶胞参数 a

4.7549

晶胞参数 b

4.7549

晶胞参数 c

7.8573

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P6_3mc

点群

6mm

晶体系统

Hexagonal

Bravais 格子

稳定性

Yes

堆积分数

0.7405

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
22.63	3.9286	11.3	(0,0,0,2)
24.40	3.6473	23.0	(1,0,-1,1)
31.47	2.8425	100.0	(1,0,-1,2)
37.84	2.3775	85.3	(2,-1,-1,0)
40.83	2.2100	27.1	(1,0,-1,3)
44.55	2.0340	12.2	(2,-1,-1,2)
45.54	1.9917	4.5	(2,0,-2,1)
46.22	1.9643	6.4	(0,0,0,4)
50.01	1.8237	27.7	(2,0,-2,2)
51.55	1.7729	3.1	(1,0,-1,4)
56.88	1.6187	10.4	(2,0,-2,3)
60.66	1.5268	3.9	(3,-1,-2,1)
61.21	1.5143	16.6	(2,-1,-1,4)
63.35	1.4682	13.4	(1,0,-1,5)
64.39	1.4470	26.1	(3,-1,-2,2)
65.70	1.4213	1.5	(2,0,-2,4)
68.34	1.3726	15.4	(3,0,-3,0)
70.36	1.3380	11.2	(3,-1,-2,3)
73.02	1.2958	3.0	(3,0,-3,2)
76.22	1.2492	8.0	(2,0,-2,5)
76.30	1.2480	1.5	(1,0,-1,6)
78.39	1.2199	1.7	(3,-1,-2,4)
80.86	1.1887	9.9	(4,-2,-2,0)
84.46	1.1471	3.0	(2,-1,-1,6)

获取直接链接

过于脆弱， // 一旦有人为可读性加上该标志即退化为存储型 XSS。 var peaks = [{"t":22.6333,"i":11.2783,"hkl":"(0,0,0,2)","d":3.92864},{"t":24.4048,"i":22.9701,"hkl":"(1,0,-1,1)","d":3.64733},{"t":31.4727,"i":100,"hkl":"(1,0,-1,2)","d":2.84251},{"t":37.8418,"i":85.2682,"hkl":"(2,-1,-1,0)","d":2.37746},{"t":40.8326,"i":27.0982,"hkl":"(1,0,-1,3)","d":2.20996},{"t":44.5454,"i":12.2485,"hkl":"(2,-1,-1,2)","d":2.03401},{"t":45.5443,"i":4.5145,"hkl":"(2,0,-2,1)","d":1.99169},{"t":46.2155,"i":6.3704,"hkl":"(0,0,0,4)","d":1.96432},{"t":50.0142,"i":27.6847,"hkl":"(2,0,-2,2)","d":1.82367},{"t":51.5486,"i":3.0928,"hkl":"(1,0,-1,4)","d":1.77293},{"t":56.8844,"i":10.4149,"hkl":"(2,0,-2,3)","d":1.61866},{"t":60.6552,"i":3.8543,"hkl":"(3,-1,-2,1)","d":1.52675},{"t":61.2064,"i":16.6445,"hkl":"(2,-1,-1,4)","d":1.51431},{"t":63.348,"i":13.3711,"hkl":"(1,0,-1,5)","d":1.46818},{"t":64.3861,"i":26.0873,"hkl":"(3,-1,-2,2)","d":1.44699},{"t":65.6973,"i":1.4629,"hkl":"(2,0,-2,4)","d":1.42126},{"t":68.3385,"i":15.417,"hkl":"(3,0,-3,0)","d":1.37263},{"t":70.3643,"i":11.243,"hkl":"(3,-1,-2,3)","d":1.33799},{"t":73.0157,"i":3.0286,"hkl":"(3,0,-3,2)","d":1.29581},{"t":76.2151,"i":8.0327,"hkl":"(2,0,-2,5)","d":1.24918},{"t":76.3032,"i":1.5196,"hkl":"(1,0,-1,6)","d":1.24796},{"t":78.389,"i":1.7444,"hkl":"(3,-1,-2,4)","d":1.2199},{"t":80.861,"i":9.9047,"hkl":"(4,-2,-2,0)","d":1.18873},{"t":84.4572,"i":2.9956,"hkl":"(2,-1,-1,6)","d":1.14705},{"t":85.3069,"i":2.1424,"hkl":"(4,-2,-2,2)","d":1.13778},{"t":86.0159,"i":1.521,"hkl":"(4,-1,-3,1)","d":1.13022},{"t":86.4987,"i":6.6611,"hkl":"(3,0,-3,4)","d":1.12514},{"t":88.3963,"i":11.6811,"hkl":"(3,-1,-2,5)","d":1.10583},{"t":88.4819,"i":1.0755,"hkl":"(2,0,-2,6)","d":1.10498},{"t":89.3285,"i":11.421,"hkl":"(4,-1,-3,2)","d":1.09669}]; // 图例文案（中文站字面量；英文站模板传英文，见 en/page/detail.php） var LBL_MATERIAL_PEAK = '材料衍射峰'; var initialRadiation = 'Cu Kα'; var canvas = document.getElementById('xrd-detail-canvas'); var note = document.getElementById('xrd-note'); var body = document.getElementById('xrd-peaks-body'); var cnt = document.getElementById('xrd-peaks-count'); var sel = document.getElementById('xrd-target'); var link = document.getElementById('xrd-direct-link'); var mpId = "mp-11081"; function renderChart(ps, radiation) { if (typeof XrdChart === 'undefined' || !canvas || !Array.isArray(ps)) return; var m = 0; ps.forEach(function (p) { if (p.t > m) m = p.t; }); var mt = Math.max(90, Math.ceil((m + 5) / 10) * 10); XrdChart.render(canvas, { materialPeaks: ps, label: radiation, maxTheta: mt, materialPeakLabel: LBL_MATERIAL_PEAK }); } function renderTable(ps) { if (!body) return; var rows = ''; ps.slice(0, 24).forEach(function (pk) { var t = (pk.t != null) ? Number(pk.t).toFixed(2) : ''; var d = (pk.d != null) ? Number(pk.d).toFixed(4) : ''; var i = (pk.i != null) ? Number(pk.i).toFixed(1) : ''; var h = (pk.hkl != null) ? String(pk.hkl).replace(/[<>&]/g, '') : ''; rows += '' + t + '' + d + '' + i + '' + h + ''; }); body.innerHTML = rows; if (cnt) cnt.textContent = Math.min(ps.length, 24); } function updateLink(target) { if (link) link.href = location.origin + '/api/v1/materials/' + encodeURIComponent(mpId) + '/xrd?format=raw&target=' + encodeURIComponent(target); } // 初始渲染（服务端已预取默认靶材的图谱） renderChart(peaks, initialRadiation); if (sel) updateLink(sel.value); // 切换靶材：重新拉取该靶材的衍射图谱并刷新图表 / 表格 / 直接链接 if (sel) { var xrdSeq = 0; sel.addEventListener('change', function () { var t = sel.value; updateLink(t); var my = ++xrdSeq; // 先清空 loading 态，避免请求失败后按钮一直停在“切换中” if (note) note.textContent = '正在加载 ' + t + ' 图谱…'; fetch('/api/v1/materials/' + encodeURIComponent(mpId) + '/xrd?target=' + encodeURIComponent(t)) .then(function (r) { if (!r.ok) throw new Error('HTTP ' + r.status); return r.json(); }) .then(function (res) { // 竞态防护：快速切换靶材时，先发的请求可能后到，丢弃过期响应 if (my !== xrdSeq) return; if (!res.success || !res.data || !Array.isArray(res.data.peaks) || !res.data.peaks.length) { throw new Error(res.error || '该靶材暂无衍射数据'); } var d = res.data; if (note) note.textContent = '横轴为 2θ (°)，纵轴为相对强度，' + d.radiation + ' ， λ=' + d.wavelength + ' Å'; renderChart(d.peaks, d.radiation); renderTable(d.peaks); }) .catch(function (e) { if (my !== xrdSeq) return; // 恢复服务端预取的默认靶材视图，并明确提示失败原因 // （旧实现是空 catch，静默失败会让图表停留在上一个靶材的数据而用户毫不知情） if (note) note.textContent = '切换靶材失败：' + (e && e.message ? e.message : '未知错误'); renderChart(peaks, initialRadiation); renderTable(peaks); }); }); } })();

能量属性

形成能/原子

-0.73903

eV/atom

能量/原子

-5.14583

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-36.2833

eV/atom

体积/原子

25.64

Å³

c/a 比

1.6525

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

2.0674

μB

磁有序

Unknown

磁性位点数

磁化强度/体积

0.013440

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

Ce · 0.333

元素家族

N/A

溶质分数

0.667

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.430

家族

Ce-rich Multi-Component

基质元素

Ce · 0.333

关联任务

关联的计算任务 ID（5 个）

aaadmtfm aaadswgn aaaemujw aaaeunlu aaafsrhz

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11081

参考引用

The crystal structure and related material properties of CeSnAu were obtained from the Materials Project database (MP-ID: mp-11081, 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_CeSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75491324
_cell_length_b   4.75491324
_cell_length_c   7.85727531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeSnAu
_chemical_formula_sum   'Ce2 Sn2 Au2'
_cell_volume   153.84656419
_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
  Ce  Ce0  1  -0.00000000  0.00000000  0.52431525  1.0
  Ce  Ce1  1  -0.00000000  0.00000000  0.02448869  1.0
  Sn  Sn2  1  0.33333300  0.66666700  0.30228803  1.0
  Sn  Sn3  1  0.66666700  0.33333300  0.80212213  1.0
  Au  Au4  1  0.66666700  0.33333300  0.21829868  1.0
  Au  Au5  1  0.33333300  0.66666700  0.71780821  1.0

获取直接链接