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  1. Third-Parties
  2. MatprojStructure
  3. mp-554071

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-554071
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Na', 'Nb', 'Cu', 'S']
  • Chemical System: Cu-Na-Nb-S
  • Density: 2.666069856317152
  • Atomic Density: 0.04331684105346863
  • Unit Cell Volume: 1615.999650426833
  • Molar Volume: 13.902539089973118
  • Full Formula: Na16 Nb4 Cu8 S42
  • Reduced Formula: Na8Nb2Cu4S21
  • Formula Anonymous: A2B4C8D21
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -334.50192817000004
  • Final energy per atom: -4.778598973857143
  • 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.