Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224052

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-1224052
  • 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: 40
  • Number of elements: 4
  • Element list: ['K', 'U', 'As', 'O']
  • Chemical System: As-K-O-U
  • Density: 5.223775639437011
  • Atomic Density: 0.058905312261052396
  • Unit Cell Volume: 679.0559028484703
  • Molar Volume: 10.223425577155933
  • Full Formula: K2 U6 As2 O30
  • Reduced Formula: KU3AsO15
  • Formula Anonymous: ABC3D15
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -321.38021402000004
  • Final energy per atom: -8.034505350500002
  • 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.