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  1. Third-Parties
  2. MatprojStructure
  3. mp-20721

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-20721
  • 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: 6
  • Number of elements: 3
  • Element list: ['Np', 'Te', 'As']
  • Chemical System: As-Np-Te
  • Density: 9.701521344220739
  • Atomic Density: 0.039877853881059605
  • Unit Cell Volume: 150.45945094978546
  • Molar Volume: 15.10146653819873
  • Full Formula: Np2 Te2 As2
  • Reduced Formula: NpTeAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -46.27089595
  • Final energy per atom: -7.7118159916666675
  • 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.