Be2W

传统材料 TRA 弹性数据 ELA

MP-ID: mp-11282 · 空间群: P6_3/mmc (#194)

Materials Project API

基础信息

化学式

Be2W

MP-ID

mp-11282

元素数

位点数

密度

10.7280

g/cm³

体积

124.98

Å³

晶胞参数 a

4.4441

晶胞参数 b

4.4441

晶胞参数 c

7.3072

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P6_3/mmc

点群

6/mmm

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
23.11	3.8487	57.8	(0,1,-1,0)
23.11	3.8487	57.8	(1,0,-1,0)
23.11	3.8487	57.8	(1,-1,0,0)
24.36	3.6536	100.0	(0,0,0,2)
26.17	3.4053	19.4	(0,1,-1,-1)
26.17	3.4053	19.4	(0,1,-1,1)
26.17	3.4053	19.4	(1,0,-1,-1)
26.17	3.4053	19.4	(1,0,-1,1)
26.17	3.4052	19.4	(1,-1,0,1)
26.17	3.4052	19.4	(1,-1,0,-1)
33.83	2.6498	11.5	(0,1,-1,-2)
33.83	2.6498	23.0	(1,0,-1,-2)
33.83	2.6498	11.5	(1,0,-1,2)
33.83	2.6498	11.5	(1,-1,0,2)
33.83	2.6498	11.5	(1,-1,0,-2)
40.60	2.2221	60.6	(1,1,-2,0)
40.60	2.2221	60.6	(1,-2,1,0)
40.60	2.2220	60.6	(2,-1,-1,0)
43.99	2.0582	32.5	(0,1,-1,-3)
43.99	2.0582	32.5	(1,0,-1,-3)
43.99	2.0582	32.5	(0,1,-1,3)
43.99	2.0582	65.0	(1,0,-1,3)
43.99	2.0582	32.5	(1,-1,0,-3)
47.23	1.9244	10.2	(0,2,-2,0)

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":23.1097,"i":57.7987,"hkl":"(0,1,-1,0)","d":3.84871},{"t":23.1098,"i":57.7987,"hkl":"(1,0,-1,0)","d":3.8487},{"t":23.1098,"i":57.7982,"hkl":"(1,-1,0,0)","d":3.84869},{"t":24.3622,"i":100,"hkl":"(0,0,0,2)","d":3.65361},{"t":26.1694,"i":19.3934,"hkl":"(0,1,-1,-1)","d":3.40526},{"t":26.1694,"i":19.3951,"hkl":"(0,1,-1,1)","d":3.40525},{"t":26.1694,"i":19.395,"hkl":"(1,0,-1,-1)","d":3.40525},{"t":26.1695,"i":19.3932,"hkl":"(1,0,-1,1)","d":3.40525},{"t":26.1695,"i":19.3949,"hkl":"(1,-1,0,1)","d":3.40524},{"t":26.1695,"i":19.3931,"hkl":"(1,-1,0,-1)","d":3.40524},{"t":33.8281,"i":11.5069,"hkl":"(0,1,-1,-2)","d":2.64978},{"t":33.8282,"i":22.9996,"hkl":"(1,0,-1,-2)","d":2.64978},{"t":33.8282,"i":11.5068,"hkl":"(1,0,-1,2)","d":2.64978},{"t":33.8282,"i":11.4997,"hkl":"(1,-1,0,2)","d":2.64978},{"t":33.8282,"i":11.5068,"hkl":"(1,-1,0,-2)","d":2.64977},{"t":40.6005,"i":60.6053,"hkl":"(1,1,-2,0)","d":2.22205},{"t":40.6007,"i":60.6048,"hkl":"(1,-2,1,0)","d":2.22205},{"t":40.6007,"i":60.6045,"hkl":"(2,-1,-1,0)","d":2.22204},{"t":43.9945,"i":32.476,"hkl":"(0,1,-1,-3)","d":2.05819},{"t":43.9946,"i":32.4854,"hkl":"(1,0,-1,-3)","d":2.05819},{"t":43.9946,"i":32.4853,"hkl":"(0,1,-1,3)","d":2.05819},{"t":43.9946,"i":64.9613,"hkl":"(1,0,-1,3)","d":2.05819},{"t":43.9946,"i":32.4758,"hkl":"(1,-1,0,-3)","d":2.05818},{"t":47.2329,"i":10.189,"hkl":"(0,2,-2,0)","d":1.92436},{"t":47.233,"i":10.1889,"hkl":"(2,0,-2,0)","d":1.92435},{"t":47.2331,"i":10.1888,"hkl":"(2,-2,0,0)","d":1.92435},{"t":47.9158,"i":20.2884,"hkl":"(1,1,-2,-2)","d":1.89851},{"t":47.9159,"i":20.2883,"hkl":"(1,1,-2,2)","d":1.89851},{"t":47.9159,"i":20.2883,"hkl":"(1,-2,1,2)","d":1.89851},{"t":47.916,"i":20.2882,"hkl":"(1,-2,1,-2)","d":1.89851},{"t":47.916,"i":20.2881,"hkl":"(2,-1,-1,2)","d":1.8985},{"t":47.916,"i":20.2881,"hkl":"(2,-1,-1,-2)","d":1.8985},{"t":48.9468,"i":5.0329,"hkl":"(0,2,-2,-1)","d":1.86091},{"t":48.9469,"i":5.0324,"hkl":"(0,2,-2,1)","d":1.86091},{"t":48.9469,"i":5.0324,"hkl":"(2,0,-2,-1)","d":1.8609},{"t":48.9469,"i":5.0329,"hkl":"(2,0,-2,1)","d":1.8609},{"t":48.947,"i":5.0323,"hkl":"(2,-2,0,1)","d":1.8609},{"t":48.9471,"i":5.0329,"hkl":"(2,-2,0,-1)","d":1.8609},{"t":53.8447,"i":2.61,"hkl":"(0,2,-2,-2)","d":1.70263},{"t":53.8447,"i":2.6115,"hkl":"(0,2,-2,2)","d":1.70263},{"t":53.8448,"i":2.6115,"hkl":"(2,0,-2,-2)","d":1.70263},{"t":53.8448,"i":2.61,"hkl":"(2,0,-2,2)","d":1.70262},{"t":53.8449,"i":2.6115,"hkl":"(2,-2,0,2)","d":1.70262},{"t":53.8449,"i":2.61,"hkl":"(2,-2,0,-2)","d":1.70262},{"t":61.4013,"i":10.6244,"hkl":"(0,2,-2,-3)","d":1.50997},{"t":61.4014,"i":10.6214,"hkl":"(0,2,-2,3)","d":1.50997},{"t":61.4014,"i":10.6214,"hkl":"(2,0,-2,-3)","d":1.50997},{"t":61.4015,"i":10.6243,"hkl":"(2,0,-2,3)","d":1.50997},{"t":61.4015,"i":10.6213,"hkl":"(2,-2,0,3)","d":1.50997},{"t":61.4016,"i":10.6242,"hkl":"(2,-2,0,-3)","d":1.50997},{"t":64.0055,"i":3.6105,"hkl":"(1,2,-3,0)","d":1.45468},{"t":64.0055,"i":3.6105,"hkl":"(2,1,-3,0)","d":1.45468},{"t":64.0056,"i":3.6105,"hkl":"(1,-3,2,0)","d":1.45467},{"t":64.0057,"i":3.6105,"hkl":"(2,-3,1,0)","d":1.45467},{"t":64.0058,"i":3.6105,"hkl":"(3,-1,-2,0)","d":1.45467},{"t":64.0058,"i":3.6105,"hkl":"(3,-2,-1,0)","d":1.45467},{"t":65.4161,"i":1.5704,"hkl":"(1,2,-3,-1)","d":1.42668},{"t":65.4162,"i":1.5706,"hkl":"(1,2,-3,1)","d":1.42668},{"t":65.4162,"i":1.5706,"hkl":"(2,1,-3,-1)","d":1.42668},{"t":65.4162,"i":1.5704,"hkl":"(2,1,-3,1)","d":1.42668},{"t":65.4163,"i":1.5704,"hkl":"(1,-3,2,1)","d":1.42668},{"t":65.4163,"i":1.5706,"hkl":"(1,-3,2,-1)","d":1.42668},{"t":65.4164,"i":1.5706,"hkl":"(2,-3,1,1)","d":1.42668},{"t":65.4164,"i":3.141,"hkl":"(3,-1,-2,-1)","d":1.42668},{"t":65.4164,"i":1.5704,"hkl":"(3,-1,-2,1)","d":1.42668},{"t":65.4165,"i":1.5706,"hkl":"(3,-2,-1,1)","d":1.42667},{"t":65.4165,"i":1.5704,"hkl":"(3,-2,-1,-1)","d":1.42667},{"t":68.7013,"i":7.8791,"hkl":"(0,1,-1,-5)","d":1.36626},{"t":68.7013,"i":7.8829,"hkl":"(1,0,-1,-5)","d":1.36626},{"t":68.7013,"i":7.8828,"hkl":"(1,-1,0,5)","d":1.36626},{"t":68.7014,"i":15.762,"hkl":"(1,0,-1,5)","d":1.36626},{"t":68.7014,"i":7.8791,"hkl":"(1,-1,0,-5)","d":1.36626},{"t":69.559,"i":1.4934,"hkl":"(1,2,-3,-2)","d":1.3515},{"t":69.5591,"i":1.4925,"hkl":"(2,1,-3,-2)","d":1.35149},{"t":69.5591,"i":1.4925,"hkl":"(1,2,-3,2)","d":1.35149},{"t":69.5591,"i":1.4934,"hkl":"(1,-3,2,2)","d":1.35149},{"t":69.5592,"i":1.4934,"hkl":"(2,1,-3,2)","d":1.35149},{"t":69.5592,"i":1.4925,"hkl":"(1,-3,2,-2)","d":1.35149},{"t":69.5593,"i":1.4925,"hkl":"(2,-3,1,2)","d":1.35149},{"t":69.5593,"i":1.4925,"hkl":"(3,-1,-2,-2)","d":1.35149},{"t":69.5594,"i":2.9869,"hkl":"(3,-1,-2,2)","d":1.35149},{"t":69.5594,"i":1.4925,"hkl":"(3,-2,-1,2)","d":1.35149},{"t":69.5594,"i":1.4934,"hkl":"(3,-2,-1,-2)","d":1.35149},{"t":73.8713,"i":10.6134,"hkl":"(0,3,-3,0)","d":1.2829},{"t":73.8715,"i":10.6133,"hkl":"(3,0,-3,0)","d":1.2829},{"t":73.8717,"i":10.6132,"hkl":"(3,-3,0,0)","d":1.2829},{"t":76.2352,"i":6.5139,"hkl":"(1,2,-3,-3)","d":1.2489},{"t":76.2352,"i":6.5158,"hkl":"(2,1,-3,-3)","d":1.2489},{"t":76.2353,"i":13.0297,"hkl":"(1,2,-3,3)","d":1.2489},{"t":76.2353,"i":6.5139,"hkl":"(2,1,-3,3)","d":1.2489},{"t":76.2354,"i":6.5158,"hkl":"(1,-3,2,-3)","d":1.2489},{"t":76.2354,"i":6.5158,"hkl":"(2,-3,1,3)","d":1.2489},{"t":76.2355,"i":6.5158,"hkl":"(3,-1,-2,-3)","d":1.2489},{"t":76.2355,"i":6.5138,"hkl":"(3,-1,-2,3)","d":1.2489},{"t":76.2355,"i":6.5138,"hkl":"(2,-3,1,-3)","d":1.2489},{"t":76.2355,"i":6.5157,"hkl":"(3,-2,-1,3)","d":1.2489},{"t":76.2356,"i":6.5138,"hkl":"(3,-2,-1,-3)","d":1.2489},{"t":78.5447,"i":5.2101,"hkl":"(0,0,0,6)","d":1.21787},{"t":79.12,"i":4.7616,"hkl":"(0,3,-3,-2)","d":1.21045},{"t":79.1201,"i":4.7616,"hkl":"(0,3,-3,2)","d":1.21045},{"t":79.1202,"i":4.7616,"hkl":"(3,0,-3,-2)","d":1.21045},{"t":79.1203,"i":4.7616,"hkl":"(3,0,-3,2)","d":1.21045},{"t":79.1204,"i":4.7616,"hkl":"(3,-3,0,2)","d":1.21045},{"t":79.1205,"i":4.7616,"hkl":"(3,-3,0,-2)","d":1.21045},{"t":82.9638,"i":5.516,"hkl":"(0,2,-2,-5)","d":1.16386},{"t":82.9639,"i":5.5132,"hkl":"(2,0,-2,-5)","d":1.16386},{"t":82.964,"i":5.5132,"hkl":"(0,2,-2,5)","d":1.16386},{"t":82.964,"i":5.516,"hkl":"(2,0,-2,5)","d":1.16386},{"t":82.964,"i":5.5132,"hkl":"(2,-2,0,5)","d":1.16386},{"t":82.9641,"i":5.516,"hkl":"(2,-2,0,-5)","d":1.16385},{"t":83.2026,"i":1.0957,"hkl":"(0,1,-1,-6)","d":1.16112},{"t":83.2026,"i":1.094,"hkl":"(1,0,-1,-6)","d":1.16112},{"t":83.2026,"i":1.094,"hkl":"(1,-1,0,6)","d":1.16112},{"t":83.2026,"i":1.0958,"hkl":"(1,0,-1,6)","d":1.16112},{"t":83.2027,"i":1.094,"hkl":"(0,1,-1,6)","d":1.16112},{"t":83.2027,"i":1.0957,"hkl":"(1,-1,0,-6)","d":1.16112},{"t":87.8761,"i":7.989,"hkl":"(2,2,-4,0)","d":1.11103},{"t":87.8764,"i":7.989,"hkl":"(2,-4,2,0)","d":1.11102},{"t":87.8766,"i":7.989,"hkl":"(4,-2,-2,0)","d":1.11102}]; // 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-11282"; 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

-0.30359

eV/atom

能量/原子

-7.11591

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-20.3276

eV/atom

体积/原子

10.42

Å³

c/a 比

1.6443

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

0.0000

μB

磁有序

Unknown

磁性位点数

磁化强度/体积

0.000000

μB/Å³

弹性属性

K_VRH

217.897

GPa

G_VRH

168.390

GPa

杨氏模量 E

401.694

GPa

泊松比 ν

0.193

Pugh 比 K/G

1.294

维氏硬度估算

26.680

GPa

韧性

Ductile

各向异性

0.018

拉梅 λ

105.637

GPa

特征分析

元素组成（原子分数）

组成信息

主元 / 基质元素

Be · 0.667

元素家族

Alkali-AlkEarth

溶质分数

0.333

间隙分数

0.000

弹性模量对比 (GPa)

弹性特征

弹性各向异性 A^U

0.0180

均匀泊松比 ν

0.1930

Debye 温度

595.7

声速

4,370.4

m/s

均匀度

0.1930

关联任务

关联的计算任务 ID（5 个）

aaadncdf aaadssgj aaaelemy aaaeucbs aaafcryo

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11282

参考引用

The crystal structure and related material properties of Be2W were obtained from the Materials Project database (MP-ID: mp-11282, 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_Be2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44408975
_cell_length_b   4.44409885
_cell_length_c   7.30721564
_cell_angle_alpha   90.00008027
_cell_angle_beta   89.99999328
_cell_angle_gamma   119.99976861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2W
_chemical_formula_sum   'Be8 W4'
_cell_volume   124.98275673
_cell_formula_units_Z   4
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
  Be  Be0  1  0.00000103  0.00000001  0.00002841  1.0
  Be  Be1  1  -0.00000001  -0.00000001  0.50002879  1.0
  Be  Be2  1  0.82991336  0.65983136  0.25000404  1.0
  Be  Be3  1  0.17008834  0.82991479  0.74998250  1.0
  Be  Be4  1  0.65982876  0.82991638  0.74998076  1.0
  Be  Be5  1  0.34017346  0.17008623  0.25000484  1.0
  Be  Be6  1  0.82991036  0.17008100  0.25000304  1.0
  Be  Be7  1  0.17008534  0.34017055  0.74998150  1.0
  W  W8  1  0.33333352  0.66666576  0.06326572  1.0
  W  W9  1  0.66666720  0.33333260  0.56325391  1.0
  W  W10  1  0.66666623  0.33333412  0.93672644  1.0
  W  W11  1  0.33333242  0.66666721  0.43674105  1.0

获取直接链接