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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203937

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-1203937
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Mo', 'N', 'Cl', 'O']
  • Chemical System: Cl-Mo-N-O
  • Density: 1.9231652213297812
  • Atomic Density: 0.032979907770127485
  • Unit Cell Volume: 1030.9307180900153
  • Molar Volume: 18.260029112193973
  • Full Formula: Mo4 N10 Cl18 O2
  • Reduced Formula: Mo2N5Cl9O
  • Formula Anonymous: AB2C5D9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -138.8382522
  • Final energy per atom: -4.083478005882353
  • 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.