TCSI1 Models for the Included Phases

Phase Models  

DIAMOND_A4

:AG AL AS AU B BI C CA CO CR CU FE GA GE IN LI MG MN MO N NA NI O P S SB SI SN TI V W ZN ZR:

 

LIQUID

:AG AL AS AU B BI C CA CO CR CU FE GA GE IN LI MG MN MO N NA NI P S SB SI SIO2 SIS2 SI2TE3 SN TE TI V W ZN ZR:

 

GAS:G

:C N N2 N3 O2 SI SI2 SI3 S S1SI1 S2 S2SI1 S3 S4 S5 S6 S7 S8 P P2 P3 P4 SIN SI2N SIP SIP2 SI2P SI2P2:

 

ALPHA_RHOMBO_B

:B:

 

BCC_A2

:AG AL AS AU B BI CA CO CR CU FE GA GE IN MG MN MO NA NI O P S SB SI SN TI V W ZN ZR: VA:

2 SUBL, SITES 1: 3:

BCT_A5

:AG AL BI GA GE IN NI SB SN TI ZN:

 

BETA_RHOMBO_B

:B: CU SI B C:

2 SUBL, SITES 93: 12:

CBCC_A12

:AL CO CR FE MG MN NI SI SN TI V ZN ZR: VA:

2 SUBL, SITES 1: 1:

CUB_A13

:AG AL CO CR FE MG MN NI SI SN TI V ZN ZR: VA:

2  SUBL, SITES 1: 1:

DHCP

:AU IN SN:

 

FCC_A1

:AG AL AS AU B BI CA CO CR CU FE GA GE IN MG MN MO NA NI O P S SB SI SN TI V W ZN ZR: VA:

2  SUBL, SITES 1: 1:

GRAPHITE

:B C:

 

HCP_A3

:AG AL AS AU B BI CA CO CR CU FE GA GE IN MG MN MO NA NI SB SI SN TI V W ZN ZR:
O VA:

2 SUBL, SITES 1: 0.5:

HCP_ZN

:AG AL CR CU GA IN MG SI SN ZN: VA:

2 SUBL, SITES 1: 0.5:

HEXAGONAL_A8

:TE:

 

LAVES_C14

:MN TI: MN TI:

2 SUBL, SITES 2: 1:

LAVES_C15

:CR CU MG TI ZR: CR CU MG TI ZR:

2 SUBL, SITES 2: 1:

MONOCLINIC

:S:

 

OMEGA

:ZR:

 

ORTHORHOMBIC_A20

:FE ZR:

 

ORTHORHOMBIC_GA

:GA:

 

ORTHORHOMBIC_S

:S:

 

RED_P

:AS P:

 

RHOMBOHEDRAL_A10

:ZN:

 

RHOMBOHEDRAL_A7

:AS BI GE IN P SB SN ZN:

 

TETRAGONAL_A6

:BI GA IN SN ZN:

 

TETRAGONAL_U

:FE ZR:

 

TET_ALPHA1

:BI IN SN:

 

WHITE_P

:P:

 

SIB3

:B: SI: B SI:

3 SUBL, SITES 6: 2: 6:

SIB6

:B: SI: B SI:

3 SUBL, SITES 210: 23: 48:

SIBX

:B: SI: B SI:

3 SUBL, SITES 61: 1: 8:

SIC

:C: SI:

2 SUBL, SITES 1: 1:

CASI

:CA: SI:

2 SUBL, SITES  1: 1:

CA3SI4

:CA: SI:

2 SUBL, SITES 0.43: 0.57:

CA14SI19

:CA: SI:

2 SUBL, SITES 0.42: 0.58:

CASI2

:CA: SI:

2 SUBL, SITES 0.33: 0.67:

CO3SI_D019

:CO: SI:

2 SUBL, SITES 3: 1:

CO2SI_C37

:CO SI: CO SI:

2 SUBL, SITES 2: 1:

CO2SI_BETA

:CO SI: CO SI:

2 SUBL, SITES 2: 1:

COSI_B20

:CO SI: CO SI:

2 SUBL, SITES 1: 1:

COSI2_C1

:CO: SI:

2 SUBL, SITES 1: 2:

CRSI2_C40

:CR SI V : AL CR SI:

2 SUBL, SITES 1: 2:

CUSI_ETA

:CU MN NI ZN: SI:

2 SUBL, SITES 0.76: 0.24:

FESI2_H

:FE NI: AL MG SI:

2 SUBL, SITES 3: 7:

FESI2_L

:FE NI: AL SI:

2 SUBL, SITES 1: 2:

FESI_B20

:FE MN NI CR: AL MG SI GE:

2 SUBL, SITES 1: 1:

LI22SI5

:LI: SI:

2 SUBL, SITES 22: 5:

LI13SI4

:LI: SI:

2 SUBL, SITES 13: 4:

LI7SI3

:LI: SI:

2 SUBL, SITES 7: 3:

LI12SI7

:LI: SI:

2 SUBL, SITES 12: 7:

MG2SI_C1

:MG: GE SI SN:

2 SUBL, SITES 2: 1:

MN11SI19

:MN: AL SI:

2 SUBL, SITES 11: 19:

MOSI2_C11B

:MO: SI:

2 SUBL, SITES 1: 2:

M3SI_A15

:MO: SI:

2 SUBL, SITES 3: 1:

M5SI3_D8M

:MO: MO SI: MO SI:

3 SUBL, SITES 4: 1: 3:

SI3N4

:SI: N:

2 SUBL, SITES 3: 4:

NASI_HT

:NA: SI:

2 SUBL, SITES 1: 1:

NASI_LT

:NA: SI:

2 SUBL, SITES 1: 1:

NI2SI_HT

:CU NI: NI VA: AL SI:

3 SUBL, SITES 1: 1: 1:

NI3SI2

:FE NI: SI:

2 SUBL, SITES 3: 2:

AB_B31

:FE NI: GE SI ZN:

2 SUBL, SITES 1: 1:

NISI2

:AL CU SI ZN: CU FE MN NI:

2 SUBL, SITES 2: 1:

CRISTOBALITE

:SIO2:

 

QUARTZ

:SIO2:

 

TRIDYMITE

:SIO2:

 

SIP

:SI: P:

2 SUBL, SITES 1: 1:

SIS

:SI: S:

2 SUBL, SITES 1: 1:

SIS2

:SI: S:

2 SUBL, SITES 1: 2:

SI2TE3_LT

:SI: TE:

2 SUBL, SITES 2: 3:

SI2TE3_HT

:SI: TE:

2 SUBL, SITES 2: 3:

SI2TI_C54

:GE SI: TI:

2 SUBL, SITES 2: 1:

FEB_B27

:TI ZR: SI GE:

2 SUBL, SITES 1: 1:

A6B5_OI44

:GE SN SI: V TI:

2 SUBL, SITES 5: 6:

SI2W_C11B

:SI: W:

2 SUBL, SITES 2: 1:

SI3W5_D8M

:SI: W:

2 SUBL, SITES 3: 5:

SI2ZR_C49

:SI GE: ZR:

2 SUBL, SITES 2: 1:

ALB2_C32

:AL: B:

2 SUBL, SITES 1: 2:

ALB12

:AL: B:

2 SUBL, SITES 1: 12:

ALP_ZNS

:AL: P:

2 SUBL, SITES 0.5: 0.5:

GE3TI5

:TI: GE:

2 SUBL, SITES 5: 3:

AL4C3

:AL SI: C:

2 SUBL, SITES 4: 3:

AL4C4SI

:AL: SI: C:

3 SUBL, SITES 4: 1: 4:

AL8C7SI

:AL: SI: C:

3 SUBL, SITES 8: 1: 7: