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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208461

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-1208461
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 119
  • Number of elements: 6
  • Element list: ['U', 'Cr', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cr-H-N-O-U
  • Density: 1.9204547171779776
  • Atomic Density: 0.09592485277210744
  • Unit Cell Volume: 1240.5544190170729
  • Molar Volume: 6.277977589714987
  • Full Formula: U1 Cr4 H48 C14 N30 O22
  • Reduced Formula: UCr4H48C14(N15O11)2
  • Formula Anonymous: AB4C14D22E30F48
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -797.15042196
  • Final energy per atom: -6.698743041680673
  • 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.