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  1. Third-Parties
  2. MatprojStructure
  3. mp-861980

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-861980
  • 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: 4
  • Number of elements: 3
  • Element list: ['Pa', 'Ga', 'Tc']
  • Chemical System: Ga-Pa-Tc
  • Density: 11.864395721788474
  • Atomic Density: 0.057532186314328805
  • Unit Cell Volume: 69.52629921181652
  • Molar Volume: 10.467429009385905
  • Full Formula: Pa1 Ga1 Tc2
  • Reduced Formula: PaGaTc2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -34.30750254
  • Final energy per atom: -8.576875635
  • 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.