SrAgSb

高熵材料 HEA 传统材料 TRA

MP-ID: mp-11217 · 空间群: P6_3/mmc (#194)

Materials Project API

基础信息

化学式

SrAgSb

MP-ID

mp-11217

元素数

位点数

密度

6.0536

g/cm³

体积

174.05

Å³

晶胞参数 a

5.5249

晶胞参数 b

5.5249

晶胞参数 c

6.5839

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

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 21）

2θ	d (Å)	I	hkl
22.98	3.8706	3.7	(1,0,-1,1)
27.09	3.2919	4.8	(0,0,0,2)
32.41	2.7625	100.0	(2,-1,-1,0)
33.03	2.7121	86.6	(1,0,-1,2)
42.73	2.1161	8.4	(2,-1,-1,2)
46.95	1.9353	10.5	(2,-2,0,2)
46.95	1.9353	21.0	(2,0,-2,2)
55.86	1.6460	6.8	(0,0,0,4)
57.81	1.5949	18.3	(3,0,-3,0)
58.21	1.5850	21.6	(3,-1,-2,2)
58.21	1.5850	10.8	(2,1,-3,2)
64.97	1.4353	1.7	(3,0,-3,2)
66.08	1.4140	24.3	(2,-1,-1,4)
67.85	1.3812	7.5	(4,-2,-2,0)
67.85	1.3812	3.7	(2,2,-4,0)
74.50	1.2737	1.7	(4,-2,-2,2)
77.56	1.2308	4.6	(4,-3,-1,2)
77.56	1.2308	9.2	(4,-1,-3,2)
84.61	1.1454	4.2	(3,-3,0,4)
84.61	1.1454	8.3	(3,0,-3,4)
86.58	1.1243	5.3	(4,0,-4,2)

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":22.9774,"i":3.7151,"hkl":"(1,0,-1,1)","d":3.87058},{"t":27.087,"i":4.7581,"hkl":"(0,0,0,2)","d":3.29194},{"t":32.4094,"i":100,"hkl":"(2,-1,-1,0)","d":2.76247},{"t":33.0289,"i":86.621,"hkl":"(1,0,-1,2)","d":2.71205},{"t":42.7303,"i":8.4188,"hkl":"(2,-1,-1,2)","d":2.11611},{"t":46.95,"i":10.5126,"hkl":"(2,-2,0,2)","d":1.93529},{"t":46.95,"i":21.0253,"hkl":"(2,0,-2,2)","d":1.93529},{"t":55.8568,"i":6.7954,"hkl":"(0,0,0,4)","d":1.64597},{"t":57.8105,"i":18.3241,"hkl":"(3,0,-3,0)","d":1.59491},{"t":58.2053,"i":21.6285,"hkl":"(3,-1,-2,2)","d":1.58503},{"t":58.2053,"i":10.8143,"hkl":"(2,1,-3,2)","d":1.58503},{"t":64.9735,"i":1.6764,"hkl":"(3,0,-3,2)","d":1.43533},{"t":66.0773,"i":24.2947,"hkl":"(2,-1,-1,4)","d":1.414},{"t":67.8544,"i":7.4776,"hkl":"(4,-2,-2,0)","d":1.38123},{"t":67.8544,"i":3.7388,"hkl":"(2,2,-4,0)","d":1.38123},{"t":74.4977,"i":1.7137,"hkl":"(4,-2,-2,2)","d":1.27366},{"t":77.5635,"i":4.6088,"hkl":"(4,-3,-1,2)","d":1.2308},{"t":77.5635,"i":9.2176,"hkl":"(4,-1,-3,2)","d":1.2308},{"t":84.6071,"i":4.1502,"hkl":"(3,-3,0,4)","d":1.1454},{"t":84.6071,"i":8.3003,"hkl":"(3,0,-3,4)","d":1.1454},{"t":86.5832,"i":5.3352,"hkl":"(4,0,-4,2)","d":1.12426}]; // 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-11217"; 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

-0.47433

eV/atom

能量/原子

-3.36245

eV/atom

凸包距离

0.2170

eV/atom

未修正能量

-3.2985

eV/atom

体积/原子

29.01

Å³

c/a 比

1.1917

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

Sr · 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

0.285

家族

Sr-rich Multi-Component

基质元素

Sr · 0.333

关联任务

关联的计算任务 ID（5 个）

aaadctjw aaadmnix aaadsnjq aaaeuofl aaafiiea

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-11217

参考引用

The crystal structure and related material properties of SrAgSb were obtained from the Materials Project database (MP-ID: mp-11217, 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_SrAgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52493246
_cell_length_b   5.52493246
_cell_length_c   6.58388500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAgSb
_chemical_formula_sum   'Sr2 Ag2 Sb2'
_cell_volume   174.04709983
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.66666700  0.33333300  0.75000000  1.0
  Sr  Sr1  1  0.33333300  0.66666700  0.25000000  1.0
  Ag  Ag2  1  0.00000000  0.00000000  0.00000000  1.0
  Ag  Ag3  1  0.00000000  0.00000000  0.50000000  1.0
  Sb  Sb4  1  0.33333300  0.66666700  0.75000000  1.0
  Sb  Sb5  1  0.66666700  0.33333300  0.25000000  1.0

获取直接链接