Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1076836

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-1076836
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Mo', 'W', 'O']
  • Chemical System: K-Mo-Na-O-W
  • Density: 5.136932507848801
  • Atomic Density: 0.07853311584141533
  • Unit Cell Volume: 509.3392713562187
  • Molar Volume: 7.668281966757464
  • Full Formula: K4 Na4 Mo6 W2 O24
  • Reduced Formula: K2Na2Mo3WO12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -303.65030841000004
  • Final energy per atom: -7.591257710250001
  • 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.