Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1207610

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1207610
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Yb', 'Be', 'Si', 'O']
  • Chemical System: Be-O-Si-Yb
  • Density: 6.376877155682153
  • Atomic Density: 0.0914007388849932
  • Unit Cell Volume: 262.57993417535147
  • Molar Volume: 6.588722184814587
  • Full Formula: Yb4 Be4 Si2 O14
  • Reduced Formula: Yb2Be2SiO7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -174.92772201
  • Final energy per atom: -7.28865508375
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.