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  1. Third-Parties
  2. MatprojStructure
  3. mp-1069129

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-1069129
  • Created at: Sept. 4, 2022, 2:42 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: ['Mn', 'N', 'Cl']
  • Chemical System: Cl-Mn-N
  • Density: 3.185363105736711
  • Atomic Density: 0.054712764410955315
  • Unit Cell Volume: 91.38635296225013
  • Molar Volume: 11.006829621634264
  • Full Formula: Mn1 N1 Cl3
  • Reduced Formula: MnNCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -19.4123804
  • Final energy per atom: -3.88247608
  • 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.