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  1. Third-Parties
  2. MatprojStructure
  3. mp-604725

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-604725
  • 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: 50
  • Number of elements: 5
  • Element list: ['Rb', 'Mg', 'P', 'H', 'O']
  • Chemical System: H-Mg-O-P-Rb
  • Density: 2.1372104953693065
  • Atomic Density: 0.10285412278071938
  • Unit Cell Volume: 486.1253846537379
  • Molar Volume: 5.8550309867879085
  • Full Formula: Rb2 Mg2 P2 H24 O20
  • Reduced Formula: RbMgP(H6O5)2
  • Formula Anonymous: ABCD10E12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -283.25224269
  • Final energy per atom: -5.6650448538000004
  • 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.