Be2Re

传统材料 TRA 弹性数据 ELA

MP-ID: mp-11275 · 空间群: P6_3/mmc (#194)

Materials Project API

基础信息

化学式

Be2Re

MP-ID

mp-11275

元素数

位点数

密度

11.5597

g/cm³

体积

117.35

Å³

晶胞参数 a

4.3617

晶胞参数 b

4.3617

晶胞参数 c

7.1227

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
23.55	3.7773	31.4	(1,0,-1,0)
23.55	3.7773	62.9	(1,-1,0,0)
25.00	3.5614	56.6	(0,0,0,2)
26.71	3.3371	19.7	(1,0,-1,1)
26.71	3.3371	19.7	(1,-1,0,1)
26.71	3.3371	19.7	(0,1,-1,1)
34.62	2.5913	13.0	(1,0,-1,2)
34.62	2.5913	26.1	(1,-1,0,2)
41.40	2.1808	32.7	(2,-1,-1,0)
41.40	2.1808	32.7	(1,1,-2,0)
41.40	2.1808	32.7	(1,-2,1,0)
45.10	2.0101	100.0	(1,0,-1,3)
48.18	1.8887	5.5	(2,0,-2,0)
48.18	1.8887	11.0	(2,-2,0,0)
48.98	1.8598	22.8	(2,-1,-1,2)
48.98	1.8598	22.8	(1,1,-2,2)
48.98	1.8598	22.8	(1,-2,1,2)
49.96	1.8256	5.1	(2,0,-2,1)
49.96	1.8256	10.2	(2,-2,0,1)
55.04	1.6686	3.0	(2,0,-2,2)
55.04	1.6686	3.0	(2,-2,0,2)
55.04	1.6686	3.0	(0,2,-2,2)
62.88	1.4781	10.9	(2,0,-2,3)
62.88	1.4781	21.8	(2,-2,0,3)

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":23.5526,"i":31.432,"hkl":"(1,0,-1,0)","d":3.77733},{"t":23.5526,"i":62.8639,"hkl":"(1,-1,0,0)","d":3.77733},{"t":25.0033,"i":56.5877,"hkl":"(0,0,0,2)","d":3.56136},{"t":26.7137,"i":19.6937,"hkl":"(1,0,-1,1)","d":3.3371},{"t":26.7137,"i":19.6937,"hkl":"(1,-1,0,1)","d":3.3371},{"t":26.7137,"i":19.6937,"hkl":"(0,1,-1,1)","d":3.3371},{"t":34.6161,"i":13.0488,"hkl":"(1,0,-1,2)","d":2.59125},{"t":34.6161,"i":26.0975,"hkl":"(1,-1,0,2)","d":2.59125},{"t":41.4027,"i":32.6888,"hkl":"(2,-1,-1,0)","d":2.18084},{"t":41.4027,"i":32.6887,"hkl":"(1,1,-2,0)","d":2.18084},{"t":41.4027,"i":32.6887,"hkl":"(1,-2,1,0)","d":2.18084},{"t":45.1033,"i":100,"hkl":"(1,0,-1,3)","d":2.01014},{"t":48.1814,"i":5.4776,"hkl":"(2,0,-2,0)","d":1.88866},{"t":48.1815,"i":10.9552,"hkl":"(2,-2,0,0)","d":1.88866},{"t":48.9769,"i":22.7718,"hkl":"(2,-1,-1,2)","d":1.85984},{"t":48.9769,"i":22.7718,"hkl":"(1,1,-2,2)","d":1.85984},{"t":48.9769,"i":22.7718,"hkl":"(1,-2,1,2)","d":1.85984},{"t":49.9583,"i":5.0867,"hkl":"(2,0,-2,1)","d":1.82558},{"t":49.9583,"i":10.1734,"hkl":"(2,-2,0,1)","d":1.82558},{"t":55.0363,"i":2.9651,"hkl":"(2,0,-2,2)","d":1.66855},{"t":55.0363,"i":2.9651,"hkl":"(2,-2,0,2)","d":1.66855},{"t":55.0363,"i":2.9651,"hkl":"(0,2,-2,2)","d":1.66855},{"t":62.8764,"i":10.9007,"hkl":"(2,0,-2,3)","d":1.47805},{"t":62.8764,"i":21.8014,"hkl":"(2,-2,0,3)","d":1.47805},{"t":65.3638,"i":1.9413,"hkl":"(3,-1,-2,0)","d":1.4277},{"t":65.3638,"i":1.9413,"hkl":"(2,1,-3,0)","d":1.4277},{"t":65.3639,"i":1.9413,"hkl":"(3,-2,-1,0)","d":1.4277},{"t":65.3639,"i":1.9413,"hkl":"(1,2,-3,0)","d":1.4277},{"t":65.3639,"i":3.8826,"hkl":"(2,-3,1,0)","d":1.4277},{"t":66.8322,"i":1.5694,"hkl":"(3,-1,-2,1)","d":1.39985},{"t":66.8322,"i":1.5694,"hkl":"(2,1,-3,1)","d":1.39985},{"t":66.8322,"i":1.5694,"hkl":"(3,-2,-1,1)","d":1.39985},{"t":66.8322,"i":1.5694,"hkl":"(1,2,-3,1)","d":1.39985},{"t":66.8322,"i":3.1388,"hkl":"(2,-3,1,1)","d":1.39985},{"t":70.6728,"i":26.2417,"hkl":"(1,0,-1,5)","d":1.33291},{"t":71.1472,"i":3.3509,"hkl":"(3,-1,-2,2)","d":1.32518},{"t":71.1472,"i":1.6754,"hkl":"(3,-2,-1,2)","d":1.32518},{"t":71.1472,"i":1.6754,"hkl":"(1,2,-3,2)","d":1.32518},{"t":71.1473,"i":1.6754,"hkl":"(2,-3,1,2)","d":1.32518},{"t":71.1473,"i":1.6754,"hkl":"(1,-3,2,2)","d":1.32518},{"t":75.5082,"i":5.702,"hkl":"(3,0,-3,0)","d":1.25911},{"t":75.5082,"i":5.702,"hkl":"(3,-3,0,0)","d":1.25911},{"t":75.5082,"i":5.702,"hkl":"(0,3,-3,0)","d":1.25911},{"t":78.1125,"i":6.7569,"hkl":"(3,-1,-2,3)","d":1.22352},{"t":78.1125,"i":13.5138,"hkl":"(3,-2,-1,3)","d":1.22352},{"t":78.1125,"i":6.7569,"hkl":"(1,2,-3,3)","d":1.22352},{"t":78.1125,"i":6.7569,"hkl":"(2,-3,1,3)","d":1.22352},{"t":78.1125,"i":6.7569,"hkl":"(1,-3,2,3)","d":1.22352},{"t":80.9934,"i":2.3608,"hkl":"(0,0,0,6)","d":1.18712},{"t":80.9948,"i":5.3863,"hkl":"(3,0,-3,2)","d":1.1871},{"t":80.9948,"i":5.3863,"hkl":"(3,-3,0,2)","d":1.1871},{"t":80.9948,"i":5.3863,"hkl":"(0,3,-3,2)","d":1.1871},{"t":85.3514,"i":6.2178,"hkl":"(2,0,-2,5)","d":1.1373},{"t":85.3515,"i":6.2178,"hkl":"(2,-2,0,5)","d":1.1373},{"t":85.3515,"i":6.2178,"hkl":"(0,2,-2,5)","d":1.1373},{"t":85.7998,"i":1.9951,"hkl":"(1,-1,0,6)","d":1.13251},{"t":89.9816,"i":4.3665,"hkl":"(4,-2,-2,0)","d":1.09042},{"t":89.9816,"i":4.3665,"hkl":"(2,2,-4,0)","d":1.09042},{"t":89.9816,"i":4.3664,"hkl":"(2,-4,2,0)","d":1.09042}]; // 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-11275"; 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

-0.37955

eV/atom

能量/原子

-7.02187

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-20.7743

eV/atom

体积/原子

9.78

Å³

c/a 比

1.6330

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

241.539

GPa

G_VRH

173.672

GPa

杨氏模量 E

420.285

GPa

泊松比 ν

0.210

Pugh 比 K/G

1.391

维氏硬度估算

24.775

GPa

韧性

Ductile

各向异性

0.002

拉梅 λ

125.758

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

0.0020

均匀泊松比 ν

0.2100

Debye 温度

596.2

声速

4,283.7

m/s

均匀度

0.2100

关联任务

关联的计算任务 ID（5 个）

aaadndda aaadsyam aaaelkjp aaaeubwi aaafcpib

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11275

参考引用

The crystal structure and related material properties of Be2Re were obtained from the Materials Project database (MP-ID: mp-11275, 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_Be2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36168394
_cell_length_b   4.36168141
_cell_length_c   7.12271297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Re
_chemical_formula_sum   'Be8 Re4'
_cell_volume   117.35031433
_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  0.00000000  0.00000000  -0.00000000  1.0
  Be  Be1  1  0.00000000  0.00000000  0.50000000  1.0
  Be  Be2  1  0.83103591  0.66207083  0.25000000  1.0
  Be  Be3  1  0.16896409  0.83103591  0.75000000  1.0
  Be  Be4  1  0.66207083  0.83103591  0.75000000  1.0
  Be  Be5  1  0.33792917  0.16896409  0.25000000  1.0
  Be  Be6  1  0.83103591  0.16896409  0.25000000  1.0
  Be  Be7  1  0.16896409  0.33792917  0.75000000  1.0
  Re  Re8  1  0.33333300  0.66666700  0.06117514  1.0
  Re  Re9  1  0.66666700  0.33333300  0.56117514  1.0
  Re  Re10  1  0.66666700  0.33333300  0.93882486  1.0
  Re  Re11  1  0.33333300  0.66666700  0.43882486  1.0

获取直接链接