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  1. Third-Parties
  2. MatprojStructure
  3. mp-21053

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-21053
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['U', 'Fe', 'P']
  • Chemical System: Fe-P-U
  • Density: 5.905894447035903
  • Atomic Density: 0.07257573952901347
  • Unit Cell Volume: 234.23805407045063
  • Molar Volume: 8.297732546827909
  • Full Formula: U1 Fe4 P12
  • Reduced Formula: U(FeP3)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -119.41255556
  • Final energy per atom: -7.024267974117647
  • 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.