Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203862

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-1203862
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['U', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-O-P-U
  • Density: 2.985257088034572
  • Atomic Density: 0.0902383286021587
  • Unit Cell Volume: 1108.1765536779653
  • Molar Volume: 6.673595193180402
  • Full Formula: U4 P8 H40 C4 O44
  • Reduced Formula: UP2H10CO11
  • Formula Anonymous: ABC2D10E11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -660.8412948299999
  • Final energy per atom: -6.608412948299999
  • 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.