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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200392

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-1200392
  • 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: 178
  • Number of elements: 6
  • Element list: ['U', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-U
  • Density: 3.5394672213537746
  • Atomic Density: 0.07671380253548746
  • Unit Cell Volume: 2320.3125658861454
  • Molar Volume: 7.850139819642214
  • Full Formula: U12 H48 C16 S14 N4 O84
  • Reduced Formula: U6H24C8S7(NO21)2
  • Formula Anonymous: A2B6C7D8E24F42
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1242.73845595
  • Final energy per atom: -6.981676718820224
  • 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.