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  1. Third-Parties
  2. MatprojStructure
  3. mp-559463

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-559463
  • Created at: Sept. 4, 2022, 2:45 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', 'Mg', 'As', 'H', 'O']
  • Chemical System: As-H-Mg-O-Rb
  • Density: 2.3209108195195123
  • Atomic Density: 0.0979364558615991
  • Unit Cell Volume: 510.53511749147344
  • Molar Volume: 6.149028680913583
  • Full Formula: Rb2 Mg2 As2 H24 O20
  • Reduced Formula: RbMgAs(H6O5)2
  • Formula Anonymous: ABCD10E12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -274.06352649
  • Final energy per atom: -5.481270529800001
  • 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.