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  1. Third-Parties
  2. MatprojStructure
  3. mp-21643

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-21643
  • 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: 36
  • Number of elements: 3
  • Element list: ['U', 'Mn', 'P']
  • Chemical System: Mn-P-U
  • Density: 8.735392154651223
  • Atomic Density: 0.07817375361503472
  • Unit Cell Volume: 460.5126188168138
  • Molar Volume: 7.703532811864104
  • Full Formula: U4 Mn20 P12
  • Reduced Formula: UMn5P3
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -317.35252999
  • Final energy per atom: -8.815348055277777
  • 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.