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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203070

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-1203070
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Na', 'Cu', 'S', 'N', 'O']
  • Chemical System: Cu-N-Na-O-S
  • Density: 2.3880056874306588
  • Atomic Density: 0.05744152889907962
  • Unit Cell Volume: 557.0882358688878
  • Molar Volume: 10.483949287945384
  • Full Formula: Na4 Cu3 S8 N5 O12
  • Reduced Formula: Na4Cu3S8N5O12
  • Formula Anonymous: A3B4C5D8E12
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -167.52193673
  • Final energy per atom: -5.2350605228125
  • 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.