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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199274

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-1199274
  • 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: 48
  • Number of elements: 6
  • Element list: ['U', 'As', 'C', 'N', 'O', 'F']
  • Chemical System: As-C-F-N-O-U
  • Density: 4.320419768597802
  • Atomic Density: 0.06685903070484778
  • Unit Cell Volume: 717.9284457756826
  • Molar Volume: 9.007221158477474
  • Full Formula: U4 As4 C8 N8 O16 F8
  • Reduced Formula: UAsC2N2(O2F)2
  • Formula Anonymous: ABC2D2E2F4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -364.2311093400001
  • Final energy per atom: -7.588148111250002
  • 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.