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  1. Third-Parties
  2. MatprojStructure
  3. mp-976804

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-976804
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ni', 'Ag', 'Te']
  • Chemical System: Ag-Ni-Te
  • Density: 7.1623216188859296
  • Atomic Density: 0.04090700430975965
  • Unit Cell Volume: 97.78276526217478
  • Molar Volume: 14.72153940777137
  • Full Formula: Ni1 Ag1 Te2
  • Reduced Formula: NiAgTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -15.94826493
  • Final energy per atom: -3.9870662325
  • 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.