YbAgSn

高熵材料 HEA 传统材料 TRA

MP-ID: mp-11069 · 空间群: P-6m2 (#187)

Materials Project API

基础信息

化学式

YbAgSn

MP-ID

mp-11069

元素数

位点数

密度

9.8429

g/cm³

体积

202.25

Å³

晶胞参数 a

4.7665

晶胞参数 b

4.7665

晶胞参数 c

10.2796

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P-6m2

点群

-6m2

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 20）

2θ	d (Å)	I	hkl
21.53	4.1279	5.5	(1,0,-1,0)
23.22	3.8306	1.0	(1,0,-1,1)
26.00	3.4265	1.2	(0,0,0,3)
34.00	2.6365	100.0	(1,0,-1,3)
37.75	2.3832	77.3	(2,-1,-1,0)
41.39	2.1816	2.7	(1,0,-1,4)
46.41	1.9565	1.4	(2,-1,-1,3)
51.70	1.7680	30.6	(2,0,-2,3)
53.48	1.7133	7.7	(0,0,0,6)
57.25	1.6092	1.1	(2,0,-2,4)
58.31	1.5824	1.8	(1,0,-1,6)
65.77	1.4199	29.7	(3,-1,-2,3)
67.31	1.3911	23.3	(2,-1,-1,6)
67.72	1.3836	1.8	(1,0,-1,7)
68.15	1.3760	13.6	(3,0,-3,0)
70.63	1.3337	1.2	(3,-1,-2,4)
80.22	1.1965	1.2	(2,0,-2,7)
80.62	1.1916	8.7	(4,-2,-2,0)
83.87	1.1536	1.3	(3,-1,-2,6)
88.91	1.1008	5.8	(1,0,-1,9)

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":21.5275,"i":5.5339,"hkl":"(1,0,-1,0)","d":4.12787},{"t":23.2207,"i":1.0155,"hkl":"(1,0,-1,1)","d":3.83056},{"t":26.0042,"i":1.2124,"hkl":"(0,0,0,3)","d":3.42652},{"t":34.0035,"i":100,"hkl":"(1,0,-1,3)","d":2.63652},{"t":37.7467,"i":77.3374,"hkl":"(2,-1,-1,0)","d":2.38322},{"t":41.3868,"i":2.7304,"hkl":"(1,0,-1,4)","d":2.18164},{"t":46.4105,"i":1.4384,"hkl":"(2,-1,-1,3)","d":1.95652},{"t":51.7037,"i":30.5861,"hkl":"(2,0,-2,3)","d":1.76798},{"t":53.4839,"i":7.7057,"hkl":"(0,0,0,6)","d":1.71326},{"t":57.2491,"i":1.098,"hkl":"(2,0,-2,4)","d":1.60921},{"t":58.3122,"i":1.7603,"hkl":"(1,0,-1,6)","d":1.58238},{"t":65.7667,"i":29.7238,"hkl":"(3,-1,-2,3)","d":1.41992},{"t":67.3082,"i":23.2601,"hkl":"(2,-1,-1,6)","d":1.39111},{"t":67.7246,"i":1.7918,"hkl":"(1,0,-1,7)","d":1.38356},{"t":68.1503,"i":13.6488,"hkl":"(3,0,-3,0)","d":1.37596},{"t":70.6273,"i":1.227,"hkl":"(3,-1,-2,4)","d":1.33365},{"t":80.2248,"i":1.1515,"hkl":"(2,0,-2,7)","d":1.19654},{"t":80.6249,"i":8.6911,"hkl":"(4,-2,-2,0)","d":1.19161},{"t":83.8726,"i":1.2551,"hkl":"(3,-1,-2,6)","d":1.15355},{"t":88.9055,"i":5.7507,"hkl":"(1,0,-1,9)","d":1.10081}]; // 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-11069"; 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

-0.51856

eV/atom

能量/原子

-28.06237

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-28.0624

eV/atom

体积/原子

22.47

Å³

c/a 比

2.1567

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

Yb · 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

Yb-rich Multi-Component

基质元素

Yb · 0.333

关联任务

关联的计算任务 ID（5 个）

aaadncwa aaadswii aaaeuchv aaafwyut aaahbaar

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11069

参考引用

The crystal structure and related material properties of YbAgSn were obtained from the Materials Project database (MP-ID: mp-11069, 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_YbAgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76644846
_cell_length_b   4.76644846
_cell_length_c   10.27955697
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbAgSn
_chemical_formula_sum   'Yb3 Ag3 Sn3'
_cell_volume   202.25293588
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.66666700  0.33333300  0.00000000  1.0
  Yb  Yb1  1  0.66666700  0.33333300  0.66736724  1.0
  Yb  Yb2  1  0.66666700  0.33333300  0.33263276  1.0
  Ag  Ag3  1  0.00000000  0.00000000  0.80572562  1.0
  Ag  Ag4  1  0.00000000  0.00000000  0.19427438  1.0
  Ag  Ag5  1  0.33333300  0.66666700  0.50000000  1.0
  Sn  Sn6  1  0.33333300  0.66666700  0.83959890  1.0
  Sn  Sn7  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.16040110  1.0

获取直接链接