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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205231

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-1205231
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['U', 'C', 'Se', 'N', 'O']
  • Chemical System: C-N-O-Se-U
  • Density: 2.6042080539237937
  • Atomic Density: 0.04656034047484246
  • Unit Cell Volume: 1632.2904692044597
  • Molar Volume: 12.93405653520487
  • Full Formula: U4 C8 Se8 N8 O48
  • Reduced Formula: UC2Se2(NO6)2
  • Formula Anonymous: AB2C2D2E12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -481.95473476
  • Final energy per atom: -6.341509667894737
  • 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.