Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220928

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-1220928
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Rb', 'Mo', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Mo-O-Rb
  • Density: 2.6304153014758835
  • Atomic Density: 0.031406769264791926
  • Unit Cell Volume: 1592.0134789556892
  • Molar Volume: 19.174658524176916
  • Full Formula: Rb4 Mo12 H4 Cl28 O2
  • Reduced Formula: Rb2Mo6H2Cl14O
  • Formula Anonymous: AB2C2D6E14
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -258.87978042000003
  • Final energy per atom: -5.177595608400001
  • 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.