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  1. Third-Parties
  2. MatprojStructure
  3. mp-1013543

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-1013543
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'N']
  • Chemical System: As-Ca-N
  • Density: 2.191777030898736
  • Atomic Density: 0.031552506831222495
  • Unit Cell Volume: 158.46601434065124
  • Molar Volume: 19.08609288071161
  • Full Formula: Ca3 As1 N1
  • Reduced Formula: Ca3AsN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -18.18111381
  • Final energy per atom: -3.636222762
  • 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.