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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202868

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-1202868
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Np', 'Re', 'Si']
  • Chemical System: Np-Re-Si
  • Density: 11.711385333730302
  • Atomic Density: 0.060123354659842525
  • Unit Cell Volume: 665.2988714004131
  • Molar Volume: 10.016308627606064
  • Full Formula: Np8 Re12 Si20
  • Reduced Formula: Np2Re3Si5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -374.40196839
  • Final energy per atom: -9.360049209749999
  • 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.