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  1. Third-Parties
  2. MatprojStructure
  3. mp-771570

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-771570
  • 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: 36
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'I']
  • Chemical System: Ca-I-Sr
  • Density: 4.169749487365316
  • Atomic Density: 0.023137810467197133
  • Unit Cell Volume: 1555.8948436818519
  • Molar Volume: 26.02727154558419
  • Full Formula: Sr8 Ca4 I24
  • Reduced Formula: Sr2CaI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 117
  • Spacegroup Symbol: P-4b2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -125.02158564
  • Final energy per atom: -3.4728218233333332
  • 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.