Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1196244

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-1196244
  • 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: 78
  • Number of elements: 5
  • Element list: ['Mn', 'Zn', 'Si', 'As', 'O']
  • Chemical System: As-Mn-O-Si-Zn
  • Density: 4.50670027163546
  • Atomic Density: 0.0856218687931642
  • Unit Cell Volume: 910.9822186715375
  • Molar Volume: 7.033414295765512
  • Full Formula: Mn14 Zn8 Si4 As4 O48
  • Reduced Formula: Mn7Zn4Si2(AsO12)2
  • Formula Anonymous: A2B2C4D7E24
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -575.15814411
  • Final energy per atom: -7.373822360384615
  • 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.