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  1. Third-Parties
  2. MatprojStructure
  3. mp-1361075

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-1361075
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Cu', 'Sn', 'F']
  • Chemical System: Ba-Ca-Cu-F-Sn
  • Density: 4.581562712257018
  • Atomic Density: 0.06258722405737464
  • Unit Cell Volume: 639.108070415959
  • Molar Volume: 9.621996902242243
  • Full Formula: Ba4 Ca2 Cu2 Sn4 F28
  • Reduced Formula: Ba2CaCuSn2F14
  • Formula Anonymous: ABC2D2E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -218.24026385
  • Final energy per atom: -5.45600659625
  • 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.