Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1076584

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-1076584
  • 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: 40
  • Number of elements: 5
  • Element list: ['La', 'Sm', 'V', 'Cr', 'O']
  • Chemical System: Cr-La-O-Sm-V
  • Density: 6.579397842394135
  • Atomic Density: 0.08207813761136577
  • Unit Cell Volume: 487.34049241464515
  • Molar Volume: 7.337082608421764
  • Full Formula: La6 Sm2 V3 Cr5 O24
  • Reduced Formula: La6Sm2V3Cr5O24
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -357.13290012000004
  • Final energy per atom: -8.928322503
  • 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.