Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215894

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-1215894
  • 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: 26
  • Number of elements: 4
  • Element list: ['Zn', 'Mo', 'W', 'O']
  • Chemical System: Mo-O-W-Zn
  • Density: 7.278398786454951
  • Atomic Density: 0.07887373478817113
  • Unit Cell Volume: 329.6407868833324
  • Molar Volume: 7.635166226340729
  • Full Formula: Zn4 Mo2 W4 O16
  • Reduced Formula: Zn2Mo(WO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -206.23543821
  • Final energy per atom: -7.932132238846155
  • 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.