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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204126

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-1204126
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 3
  • Element list: ['Cr', 'N', 'O']
  • Chemical System: Cr-N-O
  • Density: 1.8542272627651324
  • Atomic Density: 0.048691382979176814
  • Unit Cell Volume: 1848.3763346481467
  • Molar Volume: 12.367980516337783
  • Full Formula: Cr18 N12 O60
  • Reduced Formula: Cr3(NO5)2
  • Formula Anonymous: A2B3C10
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -600.04033166
  • Final energy per atom: -6.667114796222222
  • 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.