Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-556455

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-556455
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Y', 'Mo', 'O']
  • Chemical System: Mo-O-Y
  • Density: 3.667101577575623
  • Atomic Density: 0.05708799354543095
  • Unit Cell Volume: 1191.1436324327149
  • Molar Volume: 10.548874441011044
  • Full Formula: Y8 Mo12 O48
  • Reduced Formula: Y2(MoO4)3
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 32
  • Spacegroup Symbol: Pba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -599.26926599
  • Final energy per atom: -8.812783323382353
  • 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.