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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218427

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-1218427
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'Cl']
  • Chemical System: Ca-Cl-Sr
  • Density: 2.8926949833678237
  • Atomic Density: 0.0350701186402283
  • Unit Cell Volume: 427.71454963924106
  • Molar Volume: 17.171714820183446
  • Full Formula: Sr4 Ca1 Cl10
  • Reduced Formula: Sr4CaCl10
  • Formula Anonymous: AB4C10
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -70.17409652
  • Final energy per atom: -4.678273101333334
  • 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.