Pr7Pt3

基础信息

化学式

Pr7Pt3

MP-ID

mp-1106063

元素数

2

位点数

20

密度

8.7571

g/cm³

体积

596.02

ų

晶胞参数 a

6.5446

Å

晶胞参数 b

10.2474

Å

晶胞参数 c

10.2474

Å

α 角

119.86

°

β 角

90.00

°

γ 角

90.00

°

空间群

P6_3mc

点群

6mm

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
16.82	5.2699	38.9	(1,1,-2,0)
16.84	5.2659	19.3	(1,1,-2,-1)
17.27	5.1347	6.9	(0,1,-1,1)
17.31	5.1237	13.8	(0,1,-1,-2)
19.98	4.4436	9.6	(0,0,0,2)
20.03	4.4341	4.7	(0,2,-2,-2)
24.21	3.6763	14.9	(1,2,-3,0)
24.25	3.6709	7.4	(1,2,-3,-2)
27.25	3.2723	16.0	(2,0,-2,0)
29.08	3.0708	52.8	(2,1,-3,0)
29.09	3.0700	26.3	(2,1,-3,-1)
29.88	2.9899	56.5	(1,2,-3,1)
29.92	2.9862	56.2	(1,-1,0,3)
29.94	2.9841	56.3	(1,3,-4,-2)
30.17	2.9624	33.8	(0,3,-3,0)
30.23	2.9560	16.7	(0,3,-3,-3)
32.44	2.7596	9.9	(2,1,-3,1)
32.47	2.7578	19.9	(2,2,-4,-1)
33.20	2.6988	100.0	(1,3,-4,0)
33.26	2.6940	49.5	(1,3,-4,-3)
34.02	2.6349	93.7	(2,2,-4,0)
34.05	2.6329	46.5	(2,2,-4,-2)
34.95	2.5674	44.6	(0,2,-2,2)
35.03	2.5618	89.2	(0,2,-2,-4)

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 = 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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-1106063"; 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

-0.71167

eV/atom

能量/原子

-5.88985

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-5.8898

eV/atom

体积/原子

29.80

ų

c/a 比

1.5658

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

No

总磁矩

0.0037

μB

磁有序

NM

磁性位点数

0

磁化强度/体积

0.000010

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

Pr · 0.700

元素家族

N/A

溶质分数

0.300

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

A

评分

0.723

家族

Binary Alloy

基质元素

Pr · 0.700

关联任务

关联的计算任务 ID（1 个）

aaaeepfw

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-1106063

参考引用

The crystal structure and related material properties of Pr7Pt3 were obtained from the Materials Project database (MP-ID: mp-1106063, 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_Pr7Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54456900
_cell_length_b   10.24738849
_cell_length_c   10.24738849
_cell_angle_alpha   119.85726920
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7Pt3
_chemical_formula_sum   'Pr14 Pt6'
_cell_volume   596.02011112
_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
  Pr  Pr0  1  0.45787500  0.33335900  0.66664100  1.0
  Pr  Pr1  1  0.95787500  0.66664100  0.33335900  1.0
  Pr  Pr2  1  0.24847100  0.12715800  0.87284200  1.0
  Pr  Pr3  1  0.24791500  0.74618600  0.87313200  1.0
  Pr  Pr4  1  0.24791500  0.12686800  0.25381400  1.0
  Pr  Pr5  1  0.74847100  0.87284200  0.12715800  1.0
  Pr  Pr6  1  0.74791500  0.25381400  0.12686800  1.0
  Pr  Pr7  1  0.74791500  0.87313200  0.74618600  1.0
  Pr  Pr8  1  0.44152600  0.53775300  0.46224700  1.0
  Pr  Pr9  1  0.44120900  0.92441000  0.46229100  1.0
  Pr  Pr10  1  0.44120900  0.53770900  0.07559000  1.0
  Pr  Pr11  1  0.94152600  0.46224700  0.53775300  1.0
  Pr  Pr12  1  0.94120900  0.07559000  0.53770900  1.0
  Pr  Pr13  1  0.94120900  0.46229100  0.92441000  1.0
  Pt  Pt14  1  0.18911300  0.81084400  0.18915600  1.0
  Pt  Pt15  1  0.18888300  0.37830100  0.18936300  1.0
  Pt  Pt16  1  0.18888300  0.81063700  0.62169900  1.0
  Pt  Pt17  1  0.68911300  0.18915600  0.81084400  1.0
  Pt  Pt18  1  0.68888300  0.62169900  0.81063700  1.0
  Pt  Pt19  1  0.68888300  0.18936300  0.37830100  1.0

获取直接链接