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  1. Third-Parties
  2. MatprojStructure
  3. mp-505245

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-505245
  • 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: 52
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'H', 'O']
  • Chemical System: Cr-H-Li-O
  • Density: 2.0817813333097046
  • Atomic Density: 0.09823507740204104
  • Unit Cell Volume: 529.3424851408483
  • Molar Volume: 6.130336453396918
  • Full Formula: Li8 Cr4 H16 O24
  • Reduced Formula: Li2Cr(H2O3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -315.16296336
  • Final energy per atom: -6.060826218461538
  • 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.