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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233622

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-1233622
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['Rb', 'Mg', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Mg-O-Rb-S
  • Density: 3.33790911316175
  • Atomic Density: 0.08016384700837281
  • Unit Cell Volume: 449.0802443181143
  • Molar Volume: 7.512290121719095
  • Full Formula: Rb2 Mg1 Cu4 H5 S4 O20
  • Reduced Formula: Rb2MgCu4H5(SO5)4
  • Formula Anonymous: AB2C4D4E5F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -212.47792025
  • Final energy per atom: -5.902164451388889
  • 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.