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  1. Third-Parties
  2. MatprojStructure
  3. mp-504845

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-504845
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'Mo', 'H', 'O']
  • Chemical System: H-Li-Mo-Na-O
  • Density: 2.5535307128188003
  • Atomic Density: 0.08849549608082062
  • Unit Cell Volume: 1175.2010509667014
  • Molar Volume: 6.805025144443662
  • Full Formula: Na8 Li8 Mo8 H32 O48
  • Reduced Formula: NaLiMo(H2O3)2
  • Formula Anonymous: ABCD4E6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -643.1144080199999
  • Final energy per atom: -6.183792384807692
  • 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.