La5Sn3

传统材料 TRA

MP-ID: mp-1105908 · 空间群: P6_3/mcm (#193)

Materials Project API

基础信息

化学式

La5Sn3

MP-ID

mp-1105908

元素数

位点数

密度

6.2703

g/cm³

体积

556.49

Å³

晶胞参数 a

9.6121

晶胞参数 b

9.6121

晶胞参数 c

6.9549

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P6_3/mcm

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 24）

2θ	d (Å)	I	hkl
10.63	8.3243	7.6	(1,-1,0,0)
10.63	8.3243	3.8	(1,0,-1,0)
21.35	4.1622	4.0	(2,-2,0,0)
21.35	4.1622	2.0	(2,0,-2,0)
25.62	3.4774	20.2	(0,0,0,2)
27.80	3.2087	14.9	(1,0,-1,2)
28.37	3.1463	12.5	(3,-2,-1,0)
28.37	3.1463	12.5	(3,-1,-2,0)
31.20	2.8666	29.4	(2,-3,1,1)
31.20	2.8666	44.0	(3,-1,-2,1)
31.20	2.8666	14.7	(2,1,-3,1)
31.76	2.8173	100.0	(2,-1,-1,2)
32.26	2.7748	24.3	(3,-3,0,0)
32.26	2.7748	24.3	(0,3,-3,0)
32.26	2.7748	24.3	(3,0,-3,0)
33.58	2.6686	5.5	(2,0,-2,2)
41.20	2.1912	5.5	(4,-3,-1,1)
41.20	2.1912	2.8	(1,-4,3,1)
41.20	2.1912	8.3	(4,-1,-3,1)
41.64	2.1689	3.2	(3,-3,0,2)
41.64	2.1689	1.6	(3,0,-3,2)
45.90	1.9769	17.3	(4,-2,-2,2)
45.90	1.9769	8.6	(2,2,-4,2)
47.26	1.9234	1.3	(4,-3,-1,2)

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":10.6276,"i":7.5823,"hkl":"(1,-1,0,0)","d":8.32431},{"t":10.6276,"i":3.7912,"hkl":"(1,0,-1,0)","d":8.32431},{"t":21.3481,"i":3.9502,"hkl":"(2,-2,0,0)","d":4.16216},{"t":21.3481,"i":1.9751,"hkl":"(2,0,-2,0)","d":4.16215},{"t":25.6169,"i":20.2362,"hkl":"(0,0,0,2)","d":3.47743},{"t":27.8036,"i":14.9107,"hkl":"(1,0,-1,2)","d":3.20871},{"t":28.3666,"i":12.5248,"hkl":"(3,-2,-1,0)","d":3.14629},{"t":28.3666,"i":12.5246,"hkl":"(3,-1,-2,0)","d":3.14629},{"t":31.2014,"i":29.36,"hkl":"(2,-3,1,1)","d":2.86661},{"t":31.2014,"i":44.04,"hkl":"(3,-1,-2,1)","d":2.86661},{"t":31.2014,"i":14.68,"hkl":"(2,1,-3,1)","d":2.8666},{"t":31.7617,"i":100,"hkl":"(2,-1,-1,2)","d":2.8173},{"t":32.2617,"i":24.2614,"hkl":"(3,-3,0,0)","d":2.77477},{"t":32.2617,"i":24.2614,"hkl":"(0,3,-3,0)","d":2.77477},{"t":32.2617,"i":24.2615,"hkl":"(3,0,-3,0)","d":2.77477},{"t":33.5824,"i":5.499,"hkl":"(2,0,-2,2)","d":2.66861},{"t":41.1986,"i":5.5039,"hkl":"(4,-3,-1,1)","d":2.19117},{"t":41.1986,"i":2.7519,"hkl":"(1,-4,3,1)","d":2.19117},{"t":41.1986,"i":8.2558,"hkl":"(4,-1,-3,1)","d":2.19117},{"t":41.6409,"i":3.2438,"hkl":"(3,-3,0,2)","d":2.16891},{"t":41.6409,"i":1.6219,"hkl":"(3,0,-3,2)","d":2.16891},{"t":45.9039,"i":17.2903,"hkl":"(4,-2,-2,2)","d":1.97692},{"t":45.904,"i":8.6452,"hkl":"(2,2,-4,2)","d":1.97692},{"t":47.2571,"i":1.3457,"hkl":"(4,-3,-1,2)","d":1.92343},{"t":47.2571,"i":2.0186,"hkl":"(4,-1,-3,2)","d":1.92343},{"t":48.7945,"i":17.0225,"hkl":"(3,-1,-2,3)","d":1.86636},{"t":48.7945,"i":8.5113,"hkl":"(2,1,-3,3)","d":1.86636},{"t":49.4953,"i":2.7466,"hkl":"(3,-5,2,1)","d":1.84156},{"t":49.4953,"i":5.4932,"hkl":"(5,-3,-2,1)","d":1.84156},{"t":49.4953,"i":5.4932,"hkl":"(5,-2,-3,1)","d":1.84156},{"t":49.4953,"i":2.7466,"hkl":"(3,2,-5,1)","d":1.84156},{"t":50.2248,"i":1.4587,"hkl":"(5,-4,-1,0)","d":1.81651},{"t":50.2248,"i":1.4587,"hkl":"(5,-1,-4,0)","d":1.81651},{"t":51.1525,"i":4.2336,"hkl":"(4,-4,0,2)","d":1.78573},{"t":51.1525,"i":4.2336,"hkl":"(0,4,-4,2)","d":1.78573},{"t":51.1525,"i":4.2336,"hkl":"(4,0,-4,2)","d":1.78573},{"t":52.6401,"i":12.4688,"hkl":"(0,0,0,4)","d":1.73872},{"t":54.8451,"i":1.2199,"hkl":"(5,-3,-2,2)","d":1.67391},{"t":54.8451,"i":1.2198,"hkl":"(5,-2,-3,2)","d":1.67391},{"t":56.2313,"i":3.3822,"hkl":"(4,-3,-1,3)","d":1.63589},{"t":56.2313,"i":2.2549,"hkl":"(4,-1,-3,3)","d":1.63589},{"t":56.2313,"i":1.1274,"hkl":"(3,1,-4,3)","d":1.63589},{"t":57.2154,"i":1.6702,"hkl":"(4,-5,1,2)","d":1.61008},{"t":57.2154,"i":3.3404,"hkl":"(5,-4,-1,2)","d":1.61008},{"t":57.2154,"i":3.3404,"hkl":"(5,-1,-4,2)","d":1.61007},{"t":57.2154,"i":1.6702,"hkl":"(4,1,-5,2)","d":1.61007},{"t":58.6877,"i":1.3678,"hkl":"(4,-6,2,0)","d":1.57315},{"t":58.6877,"i":2.7356,"hkl":"(6,-4,-2,0)","d":1.57315},{"t":58.6877,"i":2.7356,"hkl":"(6,-2,-4,0)","d":1.57315},{"t":58.6877,"i":1.3678,"hkl":"(4,2,-6,0)","d":1.57315},{"t":59.184,"i":1.3247,"hkl":"(3,-6,3,1)","d":1.56113},{"t":59.184,"i":1.3247,"hkl":"(6,-3,-3,1)","d":1.56113},{"t":59.184,"i":1.3247,"hkl":"(3,3,-6,1)","d":1.56113},{"t":60.3217,"i":1.8079,"hkl":"(4,-6,2,1)","d":1.53438},{"t":60.3217,"i":3.6158,"hkl":"(6,-4,-2,1)","d":1.53438},{"t":60.3218,"i":1.8079,"hkl":"(6,-2,-4,1)","d":1.53438},{"t":60.3218,"i":3.6158,"hkl":"(4,2,-6,1)","d":1.53438},{"t":60.8731,"i":4.7934,"hkl":"(3,-1,-2,4)","d":1.5218},{"t":61.7794,"i":3.6564,"hkl":"(5,-5,0,2)","d":1.50164},{"t":61.7794,"i":3.6564,"hkl":"(0,5,-5,2)","d":1.50164},{"t":61.7794,"i":3.6564,"hkl":"(5,0,-5,2)","d":1.50164},{"t":62.0797,"i":1.6078,"hkl":"(6,-5,-1,0)","d":1.49509},{"t":62.0798,"i":1.6078,"hkl":"(6,-1,-5,0)","d":1.49509},{"t":63.0688,"i":2.6479,"hkl":"(3,-5,2,3)","d":1.47401},{"t":63.0688,"i":2.6479,"hkl":"(5,-2,-3,3)","d":1.47401},{"t":63.0688,"i":2.6479,"hkl":"(3,2,-5,3)","d":1.474},{"t":63.0997,"i":14.2879,"hkl":"(3,-3,0,4)","d":1.47336},{"t":63.0997,"i":7.1439,"hkl":"(3,0,-3,4)","d":1.47336},{"t":63.6618,"i":2.2242,"hkl":"(5,-6,1,1)","d":1.4617},{"t":63.6618,"i":2.2242,"hkl":"(6,-5,-1,1)","d":1.4617},{"t":63.6618,"i":2.2242,"hkl":"(1,-6,5,1)","d":1.4617},{"t":63.6618,"i":4.4484,"hkl":"(6,-1,-5,1)","d":1.4617},{"t":63.6618,"i":2.2242,"hkl":"(5,1,-6,1)","d":1.4617},{"t":72.1551,"i":1.5312,"hkl":"(7,-5,-2,1)","d":1.30913},{"t":72.1552,"i":1.5312,"hkl":"(5,2,-7,1)","d":1.30913},{"t":72.6301,"i":1.0681,"hkl":"(4,-6,2,3)","d":1.30173},{"t":72.6301,"i":2.1362,"hkl":"(6,-4,-2,3)","d":1.30173},{"t":72.6301,"i":1.0681,"hkl":"(6,-2,-4,3)","d":1.30173},{"t":72.6301,"i":2.1362,"hkl":"(4,2,-6,3)","d":1.30173},{"t":74.5126,"i":1.117,"hkl":"(4,-7,3,2)","d":1.27344},{"t":74.5126,"i":1.117,"hkl":"(4,3,-7,2)","d":1.27344},{"t":74.5985,"i":3.6735,"hkl":"(3,-2,-1,5)","d":1.27219},{"t":74.5985,"i":3.6734,"hkl":"(3,-1,-2,5)","d":1.27219},{"t":75.6953,"i":1.3517,"hkl":"(5,-6,1,3)","d":1.25646},{"t":75.6953,"i":2.7034,"hkl":"(6,-5,-1,3)","d":1.25646},{"t":75.6953,"i":4.0551,"hkl":"(6,-1,-5,3)","d":1.25646},{"t":75.7238,"i":1.2426,"hkl":"(5,-1,-4,4)","d":1.25606},{"t":76.5428,"i":1.4685,"hkl":"(7,-5,-2,2)","d":1.24465},{"t":76.5428,"i":1.4685,"hkl":"(5,2,-7,2)","d":1.24465},{"t":80.6386,"i":1.2598,"hkl":"(4,-1,-3,5)","d":1.19144},{"t":82.7313,"i":1.0534,"hkl":"(4,-6,2,4)","d":1.16654},{"t":82.7313,"i":2.1068,"hkl":"(6,-4,-2,4)","d":1.16654},{"t":82.7313,"i":1.0534,"hkl":"(6,-2,-4,4)","d":1.16654},{"t":82.7313,"i":2.1068,"hkl":"(4,2,-6,4)","d":1.16654},{"t":83.6933,"i":1.0496,"hkl":"(7,-5,-2,3)","d":1.15556},{"t":83.6933,"i":1.0496,"hkl":"(7,-2,-5,3)","d":1.15556},{"t":85.6952,"i":1.3314,"hkl":"(6,-5,-1,4)","d":1.13362},{"t":85.6952,"i":1.3314,"hkl":"(6,-1,-5,4)","d":1.13362},{"t":86.3372,"i":6.117,"hkl":"(2,-1,-1,6)","d":1.12683},{"t":86.4922,"i":4.2081,"hkl":"(5,-8,3,2)","d":1.12521},{"t":86.4922,"i":1.5791,"hkl":"(8,-5,-3,2)","d":1.12521},{"t":86.4922,"i":1.0498,"hkl":"(0,7,-7,2)","d":1.12521},{"t":86.4922,"i":1.5791,"hkl":"(8,-3,-5,2)","d":1.12521},{"t":86.4922,"i":2.629,"hkl":"(3,5,-8,2)","d":1.12521},{"t":86.4922,"i":1.5791,"hkl":"(5,3,-8,2)","d":1.12521},{"t":86.5751,"i":1.1308,"hkl":"(3,-5,2,5)","d":1.12435},{"t":86.5751,"i":1.1308,"hkl":"(5,-2,-3,5)","d":1.12435},{"t":86.5751,"i":1.1308,"hkl":"(3,2,-5,5)","d":1.12435}]; // 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-1105908"; 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

-0.83872

eV/atom

能量/原子

-28.70903

eV/atom

凸包距离

0.0012

eV/atom

未修正能量

-28.7090

eV/atom

体积/原子

34.78

Å³

c/a 比

0.7236

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

5.6925

μB

磁有序

Unknown

磁性位点数

磁化强度/体积

0.010230

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

La · 0.625

元素家族

N/A

溶质分数

0.375

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.679

家族

Binary Alloy

基质元素

La · 0.625

关联任务

关联的计算任务 ID（4 个）

aaadnkfd aaadteye aaaemoeo aaafryxr

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-1105908

参考引用

The crystal structure and related material properties of La5Sn3 were obtained from the Materials Project database (MP-ID: mp-1105908, 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_La5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61208378
_cell_length_b   9.61208574
_cell_length_c   6.95486367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Sn3
_chemical_formula_sum   'La10 Sn6'
_cell_volume   556.48611446
_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
  La  La0  1  0.66666700  0.33333300  -0.00000000  1.0
  La  La1  1  0.33333300  0.66666700  0.99999900  1.0
  La  La2  1  0.33333300  0.66666700  0.50000100  1.0
  La  La3  1  0.66666700  0.33333300  0.50000000  1.0
  La  La4  1  0.73789747  0.73804020  0.75000000  1.0
  La  La5  1  0.26195980  -0.00014173  0.75000000  1.0
  La  La6  1  0.00014173  0.26210153  0.75000000  1.0
  La  La7  1  0.26195980  0.26210253  0.25000000  1.0
  La  La8  1  0.73789747  -0.00014173  0.25000000  1.0
  La  La9  1  0.00014173  0.73804020  0.25000000  1.0
  Sn  Sn10  1  0.38353918  0.38348012  0.75000000  1.0
  Sn  Sn11  1  0.61651988  0.00005906  0.75000000  1.0
  Sn  Sn12  1  -0.00005906  0.61646082  0.75000000  1.0
  Sn  Sn13  1  0.61651988  0.61646082  0.25000000  1.0
  Sn  Sn14  1  0.38353918  0.00005906  0.25000000  1.0
  Sn  Sn15  1  -0.00005906  0.38348012  0.25000000  1.0

获取直接链接