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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202682

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-1202682
  • 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: 56
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Ge', 'H']
  • Chemical System: Ca-Ge-H-Li
  • Density: 2.8538210441520273
  • Atomic Density: 0.0473231674915812
  • Unit Cell Volume: 1183.3527417614725
  • Molar Volume: 12.725565677891996
  • Full Formula: Li4 Ca28 Ge12 H12
  • Reduced Formula: LiCa7(GeH)3
  • Formula Anonymous: AB3C3D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -194.27748043
  • Final energy per atom: -3.469240721964286
  • 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.