Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227622

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-1227622
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 2
  • Element list: ['Be', 'Ru']
  • Chemical System: Be-Ru
  • Density: 3.748695339751738
  • Atomic Density: 0.10663372103383179
  • Unit Cell Volume: 497.02851486524264
  • Molar Volume: 5.647501279721214
  • Full Formula: Be46 Ru7
  • Reduced Formula: Be46Ru7
  • Formula Anonymous: A7B46
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -241.91888108000003
  • Final energy per atom: -4.56450719018868
  • 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.