Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-759878

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-759878
  • 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: 46
  • Number of elements: 5
  • Element list: ['Rb', 'Mg', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Mg-O-Rb
  • Density: 1.7888113689601188
  • Atomic Density: 0.07641855512618764
  • Unit Cell Volume: 601.9480468328876
  • Molar Volume: 7.880469278771134
  • Full Formula: Rb2 Mg2 H24 Cl6 O12
  • Reduced Formula: RbMgH12(ClO2)3
  • Formula Anonymous: ABC3D6E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -226.4088041
  • Final energy per atom: -4.921930523913043
  • 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.