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  1. Third-Parties
  2. MatprojStructure
  3. mp-21598

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-21598
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Si', 'Ni', 'As']
  • Chemical System: As-Ni-Si
  • Density: 6.830418788262914
  • Atomic Density: 0.07465495806713862
  • Unit Cell Volume: 428.63864408338145
  • Molar Volume: 8.066632030767702
  • Full Formula: Si8 Ni16 As8
  • Reduced Formula: SiNi2As
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -184.99850154
  • Final energy per atom: -5.781203173125
  • 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.