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  1. Third-Parties
  2. MatprojStructure
  3. mp-15691

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-15691
  • 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', 'As', 'S']
  • Chemical System: As-Np-S
  • Density: 9.401353305465857
  • Atomic Density: 0.04937658004082604
  • Unit Cell Volume: 121.51509875813633
  • Molar Volume: 12.196350486446638
  • Full Formula: Np2 As2 S2
  • Reduced Formula: NpAsS
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -51.18037583
  • Final energy per atom: -8.530062638333334
  • 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.