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  1. Third-Parties
  2. MatprojStructure
  3. mp-505570

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-505570
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Pa', 'H']
  • Chemical System: H-Pa
  • Density: 10.613628018886619
  • Atomic Density: 0.10923155404557627
  • Unit Cell Volume: 292.95564161476796
  • Molar Volume: 5.51318784450077
  • Full Formula: Pa8 H24
  • Reduced Formula: PaH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -173.05169601
  • Final energy per atom: -5.4078655003125
  • 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.