@ all

Pr2(AlCu)5 phase diagram

Phase diagram of Pr2(AlCu)5; eabovehull: 0.156233 eV/atom; predicted_stable: False

gpsk05-benchmark-test-4

ZrCoSi2 phase diagram

Phase diagram of ZrCoSi2; eabovehull: 0.356006 eV/atom; predicted_stable: False

gpsk05-benchmark-test-3 - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -56.3914 eV; energy change = -0.3283 eV; symmetry: P1 → P1

GdErZn2 phase diagram

Phase diagram of GdErZn2; eabovehull: 0.112581 eV/atom; predicted_stable: False

gpsk05-benchmark-test-3

gpsk05-benchmark-test-2 - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -88.5102 eV; energy change = -0.1344 eV; symmetry: P1 → P1

ZrNi3 phase diagram

Phase diagram of ZrNi3; eabovehull: 0.129194 eV/atom; predicted_stable: False

gpsk05-benchmark-test-2

gpsk05-benchmark-test-1 - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -108.7624 eV; energy change = -0.1039 eV; symmetry: Amm2 → Amm2

gpsk05-benchmark-test-1

KMnP (P4/nmm) 1

Crystal structure CIF fetched from Materials Project for mp-20422

MgMnGe (P4/nmm) 1

Crystal structure CIF fetched from Materials Project for mp-20354

MnAlGe (P4/nmm) 1

Crystal structure CIF fetched from Materials Project for mp-20757

KMnP phase diagram

Phase diagram of KMnP; eabovehull: 0.000000 eV/atom; predicted_stable: True

MgMnGe phase diagram

Phase diagram of MgMnGe; eabovehull: 0.008517 eV/atom; predicted_stable: True

MnAlGe phase diagram

Phase diagram of MnAlGe; eabovehull: 0.000000 eV/atom; predicted_stable: True

KMnP (P4/nmm)

Crystal structure CIF fetched from Materials Project for mp-20422

MgMnGe (P4/nmm)

Crystal structure CIF fetched from Materials Project for mp-20354