DyHg2

传统材料 TRA 弹性数据 ELA

MP-ID: mp-11367 · 空间群: P6/mmm (#191)

Materials Project API

基础信息

化学式

DyHg2

MP-ID

mp-11367

元素数

位点数

密度

13.1348

g/cm³

体积

71.26

Å³

晶胞参数 a

4.8859

晶胞参数 b

4.8859

晶胞参数 c

3.4470

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P6/mmm

点群

6/mmm

晶体系统

Hexagonal

Bravais 格子

稳定性

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 22）

2θ	d (Å)	I	hkl
21.00	4.2313	1.8	(1,0,-1,0)
25.85	3.4470	14.2	(0,0,0,1)
33.53	2.6725	100.0	(1,0,-1,1)
36.79	2.4430	94.7	(2,-1,-1,0)
45.51	1.9931	19.6	(2,-1,-1,1)
50.62	1.8031	21.2	(2,-2,0,1)
50.62	1.8031	10.6	(2,0,-2,1)
53.14	1.7235	11.1	(0,0,0,2)
64.20	1.4507	10.4	(2,-3,1,1)
64.20	1.4507	20.9	(3,-1,-2,1)
66.27	1.4104	5.8	(3,-3,0,0)
66.27	1.4104	11.6	(3,0,-3,0)
66.38	1.4083	34.5	(2,-1,-1,2)
72.39	1.3054	3.4	(3,-3,0,1)
72.39	1.3054	1.7	(3,0,-3,1)
78.27	1.2215	3.7	(2,-4,2,0)
78.27	1.2215	7.3	(4,-2,-2,0)
84.07	1.1513	3.6	(4,-2,-2,1)
87.89	1.1109	4.7	(3,-4,1,1)
87.89	1.1109	9.3	(4,-1,-3,1)
88.09	1.1088	7.0	(1,0,-1,3)
89.87	1.0915	16.5	(3,0,-3,2)

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":20.9952,"i":1.762,"hkl":"(1,0,-1,0)","d":4.23131},{"t":25.847,"i":14.1768,"hkl":"(0,0,0,1)","d":3.447},{"t":33.5326,"i":100,"hkl":"(1,0,-1,1)","d":2.67246},{"t":36.7904,"i":94.6793,"hkl":"(2,-1,-1,0)","d":2.44295},{"t":45.5094,"i":19.6103,"hkl":"(2,-1,-1,1)","d":1.99314},{"t":50.6243,"i":21.157,"hkl":"(2,-2,0,1)","d":1.80311},{"t":50.6243,"i":10.5785,"hkl":"(2,0,-2,1)","d":1.80311},{"t":53.1411,"i":11.1282,"hkl":"(0,0,0,2)","d":1.7235},{"t":64.1998,"i":10.4291,"hkl":"(2,-3,1,1)","d":1.45074},{"t":64.1998,"i":20.8582,"hkl":"(3,-1,-2,1)","d":1.45074},{"t":66.2658,"i":5.778,"hkl":"(3,-3,0,0)","d":1.41044},{"t":66.2658,"i":11.5559,"hkl":"(3,0,-3,0)","d":1.41044},{"t":66.3795,"i":34.4951,"hkl":"(2,-1,-1,2)","d":1.4083},{"t":72.3949,"i":3.4392,"hkl":"(3,-3,0,1)","d":1.30538},{"t":72.3949,"i":1.7196,"hkl":"(3,0,-3,1)","d":1.30538},{"t":78.2685,"i":3.6657,"hkl":"(2,-4,2,0)","d":1.22147},{"t":78.2685,"i":7.3314,"hkl":"(4,-2,-2,0)","d":1.22147},{"t":84.0715,"i":3.6365,"hkl":"(4,-2,-2,1)","d":1.15132},{"t":87.8855,"i":4.6708,"hkl":"(3,-4,1,1)","d":1.11093},{"t":87.8855,"i":9.3415,"hkl":"(4,-1,-3,1)","d":1.11093},{"t":88.0938,"i":6.9765,"hkl":"(1,0,-1,3)","d":1.10884},{"t":89.8659,"i":16.4999,"hkl":"(3,0,-3,2)","d":1.09152}]; // 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-11367"; 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

-0.46706

eV/atom

能量/原子

-44.03953

eV/atom

凸包距离

0.0200

eV/atom

未修正能量

-44.0395

eV/atom

体积/原子

23.75

Å³

c/a 比

0.7055

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

0.0011

μB

磁有序

Unknown

磁性位点数

磁化强度/体积

0.000010

μB/Å³

弹性属性

K_VRH

63.191

GPa

G_VRH

28.091

GPa

杨氏模量 E

73.397

GPa

泊松比 ν

0.306

Pugh 比 K/G

2.250

维氏硬度估算

GPa

韧性

Brittle

各向异性

0.272

拉梅 λ

44.464

GPa

特征分析

元素组成（原子分数）

组成信息

主元 / 基质元素

Hg · 0.667

元素家族

N/A

溶质分数

0.333

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.609

家族

Binary Alloy

基质元素

Hg · 0.667

关联任务

关联的计算任务 ID（5 个）

aaadmstw aaadsaiy aaaegwdf aaaeqsux aaafdizd

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11367

参考引用

The crystal structure and related material properties of DyHg2 were obtained from the Materials Project database (MP-ID: mp-11367, 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_DyHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88589042
_cell_length_b   4.88589088
_cell_length_c   3.44699542
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHg2
_chemical_formula_sum   'Dy1 Hg2'
_cell_volume   71.26213150
_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
  Dy  Dy0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Hg  Hg1  1  0.33333300  0.66666700  0.50000000  1.0
  Hg  Hg2  1  0.66666700  0.33333300  0.50000000  1.0

获取直接链接