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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220687

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-1220687
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Na', 'W', 'Cl', 'O']
  • Chemical System: Cl-Na-O-W
  • Density: 4.2708140179962495
  • Atomic Density: 0.04982222664682734
  • Unit Cell Volume: 120.42817842189069
  • Molar Volume: 12.087257365450341
  • Full Formula: Na1 W1 Cl2 O2
  • Reduced Formula: NaW(ClO)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -39.12327049
  • Final energy per atom: -6.5205450816666675
  • 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.