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  1. Third-Parties
  2. MatprojStructure
  3. mp-676541

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-676541
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Na', 'Cr', 'Se']
  • Chemical System: Cr-Na-Se
  • Density: 4.775419463095845
  • Atomic Density: 0.04451761232269585
  • Unit Cell Volume: 898.5207856623368
  • Molar Volume: 13.527546617610957
  • Full Formula: Na4 Cr13 Se23
  • Reduced Formula: Na4Cr13Se23
  • Formula Anonymous: A4B13C23
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -244.95620099
  • Final energy per atom: -6.12390502475
  • 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.