Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1033722

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-1033722
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Rb', 'Hf', 'Mg', 'O']
  • Chemical System: Hf-Mg-O-Rb
  • Density: 3.854544311023623
  • Atomic Density: 0.06673056152396296
  • Unit Cell Volume: 224.78456133796348
  • Molar Volume: 9.024561793680466
  • Full Formula: Rb1 Hf1 Mg6 O7
  • Reduced Formula: RbHfMg6O7
  • Formula Anonymous: ABC6D7
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -91.78802867
  • Final energy per atom: -6.119201911333334
  • 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.