Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-532768

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-532768
  • 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: 72
  • Number of elements: 5
  • Element list: ['Y', 'Zr', 'Si', 'P', 'O']
  • Chemical System: O-P-Si-Y-Zr
  • Density: 4.412188176558095
  • Atomic Density: 0.08692642744105486
  • Unit Cell Volume: 828.2866571138388
  • Molar Volume: 6.927859498290823
  • Full Formula: Y2 Zr10 Si10 P2 O48
  • Reduced Formula: YZr5Si5PO24
  • Formula Anonymous: ABC5D5E24
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -655.33120387
  • Final energy per atom: -9.101822275972221
  • 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.