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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217885

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-1217885
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 77
  • Number of elements: 5
  • Element list: ['U', 'Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-O-U
  • Density: 5.8563640459473225
  • Atomic Density: 0.0650285281776316
  • Unit Cell Volume: 1184.0956908891922
  • Molar Volume: 9.26076743356385
  • Full Formula: U12 Cd4 H6 C4 O51
  • Reduced Formula: U12Cd4H6C4O51
  • Formula Anonymous: A4B4C6D12E51
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -628.48297561
  • Final energy per atom: -8.162116566363636
  • 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.