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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218589

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-1218589
  • 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: 26
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Pr', 'Cu', 'Hg', 'O']
  • Chemical System: Ca-Cu-Hg-O-Pr-Sr
  • Density: 6.2129082882913815
  • Atomic Density: 0.07199779494201305
  • Unit Cell Volume: 361.1221707684294
  • Molar Volume: 8.364340553554765
  • Full Formula: Sr4 Ca1 Pr2 Cu4 Hg1 O14
  • Reduced Formula: Sr4CaPr2Cu4HgO14
  • Formula Anonymous: ABC2D4E4F14
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -164.21515753
  • Final energy per atom: -6.315967597307692
  • 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.