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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173090

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-1173090
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['U', 'Be', 'C']
  • Chemical System: Be-C-U
  • Density: 11.02938784945786
  • Atomic Density: 0.07092121866449343
  • Unit Cell Volume: 155.10167770858018
  • Molar Volume: 8.491310320665674
  • Full Formula: U4 Be2 C5
  • Reduced Formula: U4Be2C5
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -96.28402969
  • Final energy per atom: -8.753093608181818
  • 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.