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  1. Third-Parties
  2. MatprojStructure
  3. mp-568251

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-568251
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 2
  • Element list: ['Ni', 'Se']
  • Chemical System: Ni-Se
  • Density: 7.196244506604987
  • Atomic Density: 0.06381928294303298
  • Unit Cell Volume: 1378.8935873590349
  • Molar Volume: 9.436240086519847
  • Full Formula: Ni48 Se40
  • Reduced Formula: Ni6Se5
  • Formula Anonymous: A5B6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -459.11527812
  • Final energy per atom: -5.217219069545455
  • 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.