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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234487

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-1234487
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Mn', 'Cu', 'S', 'O']
  • Chemical System: Ca-Cu-Mn-O-S-Sr
  • Density: 4.362717566757806
  • Atomic Density: 0.0535374495631356
  • Unit Cell Volume: 336.21325160013413
  • Molar Volume: 11.248464036185016
  • Full Formula: Sr4 Ca1 Mn2 Cu3 S4 O4
  • Reduced Formula: Sr4CaMn2Cu3(SO)4
  • Formula Anonymous: AB2C3D4E4F4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -109.09980852
  • Final energy per atom: -6.061100473333333
  • 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.