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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228990

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-1228990
  • 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: 62
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Tm', 'O']
  • Chemical System: Ba-Ca-O-Tm
  • Density: 8.11233273786486
  • Atomic Density: 0.06900182395130626
  • Unit Cell Volume: 898.5269729065806
  • Molar Volume: 8.727509528226022
  • Full Formula: Ba2 Ca4 Tm20 O36
  • Reduced Formula: BaCa2Tm10O18
  • Formula Anonymous: AB2C10D18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -518.69553109
  • Final energy per atom: -8.366056953064517
  • 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.