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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200940

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-1200940
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Mo', 'N', 'Cl', 'O']
  • Chemical System: Cl-Mo-N-O
  • Density: 2.791816091816934
  • Atomic Density: 0.03465001075234309
  • Unit Cell Volume: 1327.5609156020075
  • Molar Volume: 17.379910220064716
  • Full Formula: Mo12 N4 Cl28 O2
  • Reduced Formula: Mo6N2Cl14O
  • Formula Anonymous: AB2C6D14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -221.25948719
  • Final energy per atom: -4.809988851956521
  • 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.