Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219857

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-1219857
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Rb', 'In', 'Ge', 'As']
  • Chemical System: As-Ge-In-Rb
  • Density: 4.359009828434407
  • Atomic Density: 0.033386604548199514
  • Unit Cell Volume: 419.32985367794754
  • Molar Volume: 18.037595740848598
  • Full Formula: Rb2 In1 Ge4 As7
  • Reduced Formula: Rb2InGe4As7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -58.42404697
  • Final energy per atom: -4.173146212142857
  • 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.