Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219112

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-1219112
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Sm', 'B', 'Ir', 'Os']
  • Chemical System: B-Ir-Os-Sm
  • Density: 13.705284283776518
  • Atomic Density: 0.07749795620555944
  • Unit Cell Volume: 232.26418968076916
  • Molar Volume: 7.770709132027396
  • Full Formula: Sm2 B8 Ir4 Os4
  • Reduced Formula: SmB4(IrOs)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 77
  • Spacegroup Symbol: P4_2
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -152.01060949
  • Final energy per atom: -8.445033860555556
  • 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.