CeCdAu

基础信息

化学式

CeCdAu

MP-ID

mp-11082

元素数

3

位点数

9

密度

10.1074

g/cm³

体积

221.54

ų

晶胞参数 a

7.8884

Å

晶胞参数 b

7.8910

Å

晶胞参数 c

4.1078

Å

α 角

90.00

°

β 角

90.00

°

γ 角

119.95

°

空间群

P-62m

点群

-6m2

晶体系统

Hexagonal

Bravais 格子

hP

稳定性

Yes

堆积分数

0.7405

X 射线衍射

衍射图谱

靶材 / 辐射源 Cu Kα（CuKa） Mo Kα（MoKa） Co Kα（CoKa） Cr Kα（CrKa） Ag Kα（AgKa）

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
21.63	4.1078	4.1	(0,0,0,1)
22.52	3.9475	21.3	(1,1,-2,0)
22.54	3.9455	21.1	(1,-2,1,0)
22.54	3.9442	21.0	(2,-1,-1,0)
25.29	3.5211	13.0	(0,1,-1,1)
25.30	3.5208	12.8	(1,0,-1,1)
25.30	3.5203	12.7	(1,-1,0,1)
26.07	3.4185	3.3	(0,2,-2,0)
26.08	3.4173	3.2	(2,0,-2,0)
26.09	3.4156	3.1	(2,-2,0,0)
31.43	2.8463	70.3	(1,1,-2,1)
31.44	2.8455	69.7	(1,-2,1,1)
31.44	2.8450	69.9	(2,-1,-1,1)
34.12	2.6276	98.9	(0,2,-2,1)
34.13	2.6271	99.5	(2,0,-2,1)
34.14	2.6263	100.0	(2,-2,0,1)
34.71	2.5844	15.9	(1,2,-3,0)
34.72	2.5840	15.9	(2,1,-3,0)
34.72	2.5834	16.1	(1,-3,2,0)
34.74	2.5825	15.8	(2,-3,1,0)
34.74	2.5824	15.9	(3,-1,-2,0)
34.75	2.5819	15.8	(3,-2,-1,0)
39.54	2.2790	46.9	(0,3,-3,0)
39.56	2.2782	46.7	(3,0,-3,0)

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":21.6341,"i":4.0957,"hkl":"(0,0,0,1)","d":4.10777},{"t":22.5235,"i":21.2958,"hkl":"(1,1,-2,0)","d":3.94754},{"t":22.5353,"i":21.0841,"hkl":"(1,-2,1,0)","d":3.94549},{"t":22.5428,"i":21.0417,"hkl":"(2,-1,-1,0)","d":3.94419},{"t":25.2939,"i":12.9739,"hkl":"(0,1,-1,1)","d":3.5211},{"t":25.2961,"i":12.7729,"hkl":"(1,0,-1,1)","d":3.5208},{"t":25.2997,"i":12.6792,"hkl":"(1,-1,0,1)","d":3.52031},{"t":26.0666,"i":3.2836,"hkl":"(0,2,-2,0)","d":3.41845},{"t":26.0753,"i":3.1938,"hkl":"(2,0,-2,0)","d":3.41733},{"t":26.0891,"i":3.1272,"hkl":"(2,-2,0,0)","d":3.41556},{"t":31.4298,"i":70.3065,"hkl":"(1,1,-2,1)","d":2.84629},{"t":31.4385,"i":69.6937,"hkl":"(1,-2,1,1)","d":2.84552},{"t":31.444,"i":69.9198,"hkl":"(2,-1,-1,1)","d":2.84504},{"t":34.1224,"i":98.8841,"hkl":"(0,2,-2,1)","d":2.6276},{"t":34.1292,"i":99.5289,"hkl":"(2,0,-2,1)","d":2.62709},{"t":34.14,"i":100,"hkl":"(2,-2,0,1)","d":2.62629},{"t":34.7112,"i":15.8594,"hkl":"(1,2,-3,0)","d":2.58437},{"t":34.7163,"i":15.8846,"hkl":"(2,1,-3,0)","d":2.584},{"t":34.7244,"i":16.1288,"hkl":"(1,-3,2,0)","d":2.58341},{"t":34.7374,"i":15.7936,"hkl":"(2,-3,1,0)","d":2.58247},{"t":34.7379,"i":15.8626,"hkl":"(3,-1,-2,0)","d":2.58244},{"t":34.7459,"i":15.7624,"hkl":"(3,-2,-1,0)","d":2.58187},{"t":39.5437,"i":46.9085,"hkl":"(0,3,-3,0)","d":2.27897},{"t":39.5573,"i":46.7376,"hkl":"(3,0,-3,0)","d":2.27822},{"t":39.5786,"i":46.7053,"hkl":"(3,-3,0,0)","d":2.27704},{"t":41.2717,"i":22.827,"hkl":"(1,2,-3,1)","d":2.18746},{"t":41.2761,"i":22.4712,"hkl":"(2,1,-3,1)","d":2.18724},{"t":41.2831,"i":22.8927,"hkl":"(1,-3,2,1)","d":2.18688},{"t":41.2944,"i":22.4053,"hkl":"(2,-3,1,1)","d":2.18631},{"t":41.2948,"i":22.8145,"hkl":"(3,-1,-2,1)","d":2.18629},{"t":41.3017,"i":22.4181,"hkl":"(3,-2,-1,1)","d":2.18594},{"t":44.0916,"i":77.2522,"hkl":"(0,0,0,2)","d":2.05388},{"t":45.5171,"i":1.4702,"hkl":"(0,3,-3,1)","d":1.99282},{"t":45.5293,"i":1.471,"hkl":"(3,0,-3,1)","d":1.99232},{"t":45.5483,"i":1.5036,"hkl":"(3,-3,0,1)","d":1.99153},{"t":45.9815,"i":10.1287,"hkl":"(2,2,-4,0)","d":1.97377},{"t":46.0067,"i":10.1253,"hkl":"(2,-4,2,0)","d":1.97275},{"t":46.0228,"i":10.152,"hkl":"(4,-2,-2,0)","d":1.9721},{"t":47.9727,"i":3.5906,"hkl":"(1,3,-4,0)","d":1.89639},{"t":47.983,"i":3.5905,"hkl":"(3,1,-4,0)","d":1.89601},{"t":47.9869,"i":3.4953,"hkl":"(1,-4,3,0)","d":1.89587},{"t":48.0063,"i":3.5613,"hkl":"(4,-1,-3,0)","d":1.89515},{"t":48.0135,"i":3.569,"hkl":"(3,-4,1,0)","d":1.89488},{"t":48.0225,"i":3.5938,"hkl":"(4,-3,-1,0)","d":1.89454},{"t":50.0625,"i":5.6422,"hkl":"(1,1,-2,2)","d":1.82202},{"t":50.0684,"i":5.5946,"hkl":"(1,-2,1,2)","d":1.82182},{"t":50.0722,"i":5.5869,"hkl":"(2,-1,-1,2)","d":1.82169},{"t":51.3584,"i":1.688,"hkl":"(2,2,-4,1)","d":1.77905},{"t":51.3815,"i":1.766,"hkl":"(2,-4,2,1)","d":1.7783},{"t":51.3963,"i":1.6722,"hkl":"(4,-2,-2,1)","d":1.77783},{"t":51.9381,"i":1.0215,"hkl":"(0,2,-2,2)","d":1.76055},{"t":53.1987,"i":5.0572,"hkl":"(1,3,-4,1)","d":1.72177},{"t":53.2083,"i":5.0945,"hkl":"(3,1,-4,1)","d":1.72148},{"t":53.2119,"i":4.9904,"hkl":"(1,-4,3,1)","d":1.72137},{"t":53.2299,"i":5.0792,"hkl":"(4,-1,-3,1)","d":1.72083},{"t":53.2365,"i":5.0932,"hkl":"(3,-4,1,1)","d":1.72063},{"t":53.2449,"i":5.0936,"hkl":"(4,-3,-1,1)","d":1.72038},{"t":53.6201,"i":1.8904,"hkl":"(0,4,-4,0)","d":1.70923},{"t":53.6393,"i":1.959,"hkl":"(4,0,-4,0)","d":1.70866},{"t":53.6692,"i":2.0119,"hkl":"(4,-4,0,0)","d":1.70778},{"t":57.2985,"i":7.2453,"hkl":"(1,2,-3,2)","d":1.60794},{"t":57.302,"i":7.258,"hkl":"(2,1,-3,2)","d":1.60785},{"t":57.3075,"i":7.3753,"hkl":"(1,-3,2,2)","d":1.60771},{"t":57.3163,"i":7.2237,"hkl":"(2,-3,1,2)","d":1.60748},{"t":57.3167,"i":7.2548,"hkl":"(3,-1,-2,2)","d":1.60747},{"t":57.322,"i":7.2108,"hkl":"(3,-2,-1,2)","d":1.60733},{"t":60.701,"i":26.7188,"hkl":"(0,3,-3,2)","d":1.5257},{"t":60.7109,"i":26.6349,"hkl":"(3,0,-3,2)","d":1.52548},{"t":60.7265,"i":26.6341,"hkl":"(3,-3,0,2)","d":1.52512},{"t":62.2199,"i":6.0396,"hkl":"(1,4,-5,0)","d":1.49206},{"t":62.2352,"i":5.9701,"hkl":"(1,-5,4,0)","d":1.49173},{"t":62.2362,"i":6.0147,"hkl":"(4,1,-5,0)","d":1.49171},{"t":62.2613,"i":6.0111,"hkl":"(5,-1,-4,0)","d":1.49117},{"t":62.2771,"i":6.0134,"hkl":"(4,-5,1,0)","d":1.49083},{"t":62.2869,"i":5.9925,"hkl":"(5,-4,-1,0)","d":1.49062},{"t":63.4809,"i":16.9502,"hkl":"(2,3,-5,1)","d":1.46543},{"t":63.4862,"i":16.7822,"hkl":"(3,2,-5,1)","d":1.46532},{"t":63.5078,"i":17.1038,"hkl":"(2,-5,3,1)","d":1.46487},{"t":63.5216,"i":16.5029,"hkl":"(3,-5,2,1)","d":1.46458},{"t":63.5304,"i":16.7983,"hkl":"(5,-2,-3,1)","d":1.4644},{"t":63.5388,"i":16.617,"hkl":"(5,-3,-2,1)","d":1.46423},{"t":65.5991,"i":7.1957,"hkl":"(2,2,-4,2)","d":1.42315},{"t":65.619,"i":7.1986,"hkl":"(2,-4,2,2)","d":1.42276},{"t":65.6316,"i":7.2202,"hkl":"(4,-2,-2,2)","d":1.42252},{"t":66.6943,"i":3.558,"hkl":"(1,4,-5,1)","d":1.40241},{"t":66.7091,"i":3.5693,"hkl":"(1,-5,4,1)","d":1.40214},{"t":66.71,"i":3.5709,"hkl":"(4,1,-5,1)","d":1.40212},{"t":66.7342,"i":3.5492,"hkl":"(5,-1,-4,1)","d":1.40167},{"t":66.7494,"i":3.5231,"hkl":"(4,-5,1,1)","d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// 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-11082"; 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

-0.53182

eV/atom

能量/原子

-3.92210

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-34.5225

eV/atom

体积/原子

24.62

ų

c/a 比

0.5207

电子属性

金属性

金属

带隙

0

eV

直接带隙

No

CBM

N/A

eV

磁性属性

磁性

Yes

总磁矩

3.8559

μB

磁有序

Unknown

磁性位点数

0

磁化强度/体积

0.017400

μB/ų

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

C

评分

0.390

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）

aaadmxvd aaadrjze aaaekuou aaaetyie aaafwzbe

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11082

参考引用

The crystal structure and related material properties of CeCdAu were obtained from the Materials Project database (MP-ID: mp-11082, 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

BS WF SF PL

原始 CIF 数据 复制

# generated using pymatgen
data_CeCdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88838834
_cell_length_b   7.89099145
_cell_length_c   4.10776911
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95485687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCdAu
_chemical_formula_sum   'Ce3 Cd3 Au3'
_cell_volume   221.54088634
_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
  Ce  Ce0  1  0.59181966  0.59210359  0.00000000  1.0
  Ce  Ce1  1  0.40791897  0.99968075  0.00000000  1.0
  Ce  Ce2  1  -0.00015001  0.40795002  0.00000000  1.0
  Cd  Cd3  1  0.00020380  0.74771799  0.50000000  1.0
  Cd  Cd4  1  0.25233601  0.25234377  0.50000000  1.0
  Cd  Cd5  1  0.74798328  0.00031354  0.50000000  1.0
  Au  Au6  1  0.99991703  0.00019041  -0.00000000  1.0
  Au  Au7  1  0.33325720  0.66603157  0.50000000  1.0
  Au  Au8  1  0.66671206  0.33366936  0.50000000  1.0

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