Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1518425

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-1518425
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Pr', 'Zn', 'Bi', 'O']
  • Chemical System: Bi-O-Pr-Zn
  • Density: 7.9264332433761755
  • Atomic Density: 0.06627215014518512
  • Unit Cell Volume: 603.5717856199076
  • Molar Volume: 9.086985629419068
  • Full Formula: Pr4 Zn4 Bi8 O24
  • Reduced Formula: PrZn(BiO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -246.01856287
  • Final energy per atom: -6.15046407175
  • 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.