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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048660

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-1048660
  • 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: 15
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Fe', 'S', 'O']
  • Chemical System: Ca-Fe-O-S-Sr
  • Density: 4.14811248930369
  • Atomic Density: 0.056570386719807304
  • Unit Cell Volume: 265.15639842263914
  • Molar Volume: 10.645394364771832
  • Full Formula: Sr4 Ca1 Fe2 S2 O6
  • Reduced Formula: Sr4CaFe2(SO3)2
  • Formula Anonymous: AB2C2D4E6
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -96.26951652
  • Final energy per atom: -6.417967768
  • 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.