Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202083

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-1202083
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Sr', 'Zr', 'As', 'O']
  • Chemical System: As-O-Sr-Zr
  • Density: 3.6091265114388227
  • Atomic Density: 0.05915201558107752
  • Unit Cell Volume: 591.6958138480804
  • Molar Volume: 10.180787080273994
  • Full Formula: Sr1 Zr4 As6 O24
  • Reduced Formula: SrZr4(AsO4)6
  • Formula Anonymous: AB4C6D24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -272.77255376
  • Final energy per atom: -7.793501536
  • 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.