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  1. Third-Parties
  2. MatprojStructure
  3. mp-542496

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-542496
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Ca', 'Ag', 'N']
  • Chemical System: Ag-Ca-N
  • Density: 6.750605227703356
  • Atomic Density: 0.04721456691113581
  • Unit Cell Volume: 487.1377946405631
  • Molar Volume: 12.75483638626715
  • Full Formula: Ca6 Ag16 N1
  • Reduced Formula: Ca6Ag16N
  • Formula Anonymous: AB6C16
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -73.27759011
  • Final energy per atom: -3.1859821786956526
  • 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.