Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1209464

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-1209464
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Rb', 'Zr', 'B', 'Br']
  • Chemical System: B-Br-Rb-Zr
  • Density: 3.780773087190187
  • Atomic Density: 0.02805980675124936
  • Unit Cell Volume: 1247.3357464745059
  • Molar Volume: 21.461804114997566
  • Full Formula: Rb8 Zr6 B1 Br20
  • Reduced Formula: Rb8Zr6BBr20
  • Formula Anonymous: AB6C8D20
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -164.61583767000002
  • Final energy per atom: -4.703309647714287
  • 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.