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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199632

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-1199632
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 6
  • Element list: ['U', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-U
  • Density: 3.418371818080262
  • Atomic Density: 0.08535429083631127
  • Unit Cell Volume: 866.97457473947
  • Molar Volume: 7.055463411381391
  • Full Formula: U4 H24 C4 S6 N4 O32
  • Reduced Formula: U2H12C2S3(NO8)2
  • Formula Anonymous: A2B2C2D3E12F16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -501.39586362
  • Final energy per atom: -6.7756197786486485
  • 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.