Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1044530

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-1044530
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Pr', 'Mg', 'Mo', 'O']
  • Chemical System: Mg-Mo-O-Pr
  • Density: 5.969736454568179
  • Atomic Density: 0.07934553536868012
  • Unit Cell Volume: 252.06207138271517
  • Molar Volume: 7.589766370619393
  • Full Formula: Pr2 Mg2 Mo4 O12
  • Reduced Formula: PrMg(MoO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -166.85673287999998
  • Final energy per atom: -8.342836643999998
  • 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.