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  1. Third-Parties
  2. MatprojStructure
  3. mp-730691

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-730691
  • 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: 68
  • Number of elements: 5
  • Element list: ['Ca', 'U', 'Si', 'H', 'O']
  • Chemical System: Ca-H-O-Si-U
  • Density: 3.767949733767083
  • Atomic Density: 0.09008705070196363
  • Unit Cell Volume: 754.8254657038939
  • Molar Volume: 6.68480177014912
  • Full Formula: Ca2 U4 Si4 H24 O34
  • Reduced Formula: CaU2Si2H12O17
  • Formula Anonymous: AB2C2D12E17
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -477.96645222
  • Final energy per atom: -7.028918415
  • 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.