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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201927

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-1201927
  • 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: 42
  • Number of elements: 4
  • Element list: ['Na', 'Cr', 'Mo', 'O']
  • Chemical System: Cr-Mo-Na-O
  • Density: 2.744890008151101
  • Atomic Density: 0.0574443745698925
  • Unit Cell Volume: 731.1420885764654
  • Molar Volume: 10.48342993563777
  • Full Formula: Na3 Cr1 Mo6 O32
  • Reduced Formula: Na3Cr(Mo3O16)2
  • Formula Anonymous: AB3C6D32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -277.9534771
  • Final energy per atom: -6.617939930952381
  • 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.