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[ "As", "Bi", "Pr", "Te" ]
12
A6B3C2D
As2Bi3Pr6Te
Pr6 Bi3 Te1 As2
4
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agm004613385
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[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Bi", "Bi", "Bi", "Te", "As", "As" ]
2023-11-16 06:57:59
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e25ff79aa8c74c2ecf1adcf239a619c7_12_Pr6Bi3Te1As2
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5
A2BCD
AsCI2Tc
Tc1 As1 C1 I2
4
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agm001441578
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[ "I", "I", "C", "As", "Tc" ]
2023-11-16 06:57:59
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860808c78d0e4843d9e748420a034b72_123_Tc1As1C1I2
[ "As", "C", "Cr", "S" ]
5
A2BCD
AsCCr2S
Cr2 As1 C1 S1
4
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3
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agm001589037
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[ "C", "Cr", "Cr", "As", "S" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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6.035715
4.329706
pbe
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3f788d9fef5fbc183631dfb694ec7084_123_Cr2As1C1S1
[ "As", "C", "Sc", "Se" ]
5
A2BCD
As2CScSe
Sc1 As2 C1 Se1
4
[ 1, 1, 1 ]
3
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agm001676172
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[ "Sc", "As", "As", "C", "Se" ]
2023-11-16 06:57:59
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1.275644
6.333757
pbe
true
5b0079f39db97aa36db2100f6cf382c5_123_Sc1As2C1Se1
[ "As", "Ca", "Cu", "Sr" ]
4
ABCD
AsCaCuSr
Sr1 Ca1 Cu1 As1
4
[ 1, 1, 1 ]
3
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agm001343569
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[ "Sr", "As", "Ca", "Cu" ]
2023-11-16 06:57:59
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b4b5a04b5443f336f06268ad38362f7a_216_Sr1Ca1Cu1As1
[ "As", "Ca", "Hf", "Nd" ]
12
A6B3C2D
As6Ca3Hf2Nd
Ca3 Nd1 Hf2 As6
4
[ 1, 1, 1 ]
3
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agm004648201
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[ "Ca", "Ca", "Ca", "Nd", "Hf", "Hf", "As", "As", "As", "As", "As", "As" ]
2023-11-16 06:57:59
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4.506538
pbe
true
14fbd0951fd08ad58c677cc48e819902_12_Ca3Nd1Hf2As6
[ "As", "Ca", "N", "P" ]
20
A6B2CD
AsCa6NP2
Ca12 As2 P4 N2
4
[ 1, 1, 1 ]
3
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agm004971230
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[ "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "As", "As", "P", "P", "P", "P", "N", "N" ]
2023-11-16 06:57:59
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0.000026
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pbe
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04e9579892931f6ede42e83829c89994_14_Ca12As2P4N2
[ "As", "Cd", "Cr", "Tc" ]
5
A2BCD
AsCdCrTc2
Cr1 Cd1 Tc2 As1
4
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3
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agm001576189
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[ "Cr", "As", "Tc", "Tc", "Cd" ]
2023-11-16 06:57:59
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1.358807
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true
47b8041f1ce25a2528a3892bcad2bfea_123_Cr1Cd1Tc2As1
[ "As", "Cd", "Mg", "Pd" ]
20
A5B2C2D
As2Cd2MgPd5
Mg2 Cd4 As4 Pd10
4
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3
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agm005136781
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[ "Mg", "Mg", "Cd", "Cd", "Cd", "Cd", "As", "As", "As", "As", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
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pbe
true
fb40e406fbec29ea4c7742c2995f78d6_127_Mg2Cd4As4Pd10
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10
A4B3C2D
As4Ce2Ir3Nb
Ce2 Nb1 As4 Ir3
4
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agm004536744
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[ "Ce", "Ce", "Nb", "As", "As", "As", "As", "Ir", "Ir", "Ir" ]
2023-11-16 06:57:59
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1.743949
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pbe
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377ce14a4d55b8e2ff9468ea2bc4226b_115_Ce2Nb1As4Ir3
[ "As", "Ce", "Nd", "Tb" ]
12
A6B3C2D
As6Ce2Nd3Tb
Tb1 Ce2 Nd3 As6
4
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3
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agm004619308
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[ "Tb", "Ce", "Ce", "Nd", "Nd", "Nd", "As", "As", "As", "As", "As", "As" ]
2023-11-16 06:57:59
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1.126974
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pbe
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aa38291aeae04fb3cc3400a8462d07f7_12_Tb1Ce2Nd3As6
[ "As", "Ce", "P", "Rh" ]
14
A8B3C2D
As2Ce3PRh8
Ce3 As2 P1 Rh8
4
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3
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agm004670081
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[ "Ce", "Ce", "Ce", "As", "As", "P", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
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0.417581
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pbe
true
8d77e956df0794fd2d016358b407be85_164_Ce3As2P1Rh8
[ "As", "Ce", "Pr", "U" ]
8
A4B2CD
As4Ce2PrU
Ce2 Pr1 U1 As4
4
[ 1, 1, 1 ]
3
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agm004839907
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[ "Ce", "Ce", "Pr", "U", "As", "As", "As", "As" ]
2023-11-16 06:57:59
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3.956034
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pbe
true
ac2fc1e2b0a1067206ce076a82309ca0_10_Ce2Pr1U1As4
[ "As", "Ce", "Rh", "Sb" ]
15
A9B3C2D
As2Ce3Rh9Sb
Ce3 Sb1 As2 Rh9
4
[ 1, 1, 1 ]
3
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agm004679556
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[ "Ce", "Ce", "Ce", "Sb", "As", "As", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
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1.150435
18.560398
pbe
true
5a846a93b2f3ca51764932e9ed6f90f7_164_Ce3Sb1As2Rh9
[ "As", "Cl", "La", "Te" ]
8
A4B2CD
AsClLa4Te2
La4 Te2 As1 Cl1
4
[ 1, 1, 1 ]
3
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agm004832887
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[ "La", "La", "La", "La", "Te", "Te", "As", "Cl" ]
2023-11-16 06:57:59
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pbe
true
e5c10039d7fd17449ad30b67f0f8e001_10_La4Te2As1Cl1
[ "As", "Cl", "Pb", "Te" ]
12
A6B3C2D
AsCl2Pb6Te3
Te3 As1 Pb6 Cl2
4
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3
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agm004645031
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[ "Te", "Te", "Te", "As", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Cl", "Cl" ]
2023-11-16 06:57:59
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-0.000001
3.918488
pbe
true
664e7b4691343bbfe8682701d2721dc2_12_Te3As1Pb6Cl2
[ "As", "Co", "Cu", "Tl" ]
5
A2BCD
AsCoCuTl2
Tl2 Co1 Cu1 As1
4
[ 1, 1, 1 ]
3
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agm001501550
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "Tl", "Tl", "Co", "As", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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1.824568
7.086671
pbe
true
eb9bab37c0a5cf9637eca98363b6cb0d_123_Tl2Co1Cu1As1
[ "As", "Co", "I", "Te" ]
5
A2BCD
AsCoITe2
Co1 Te2 As1 I1
4
[ 1, 1, 1 ]
3
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agm001798577
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[ "I", "As", "Te", "Te", "Co" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0.00115
6.200042
pbe
true
4f436a3dd8fe9616341cc7156b19f23b_123_Co1Te2As1I1
[ "As", "Co", "Rh", "V" ]
5
A2BCD
As2CoRhV
V1 Co1 As2 Rh1
4
[ 1, 1, 1 ]
3
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agm001512019
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Co", "As", "As", "Rh", "V" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.683505, 0, 0 ], [ 0, 3.6483815, 0 ], [ 0, 0, 3.683505 ] ]
-28.513189
[ 1.971, -0.024, -0.033, -0.075, -0.158 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.573576
6.110234
pbe
true
217b55d09cb7f4a00559aa6fe5b2e35d_123_V1Co1As2Rh1
[ "As", "Co", "Sb", "Te" ]
5
A2BCD
AsCoSbTe2
Co1 Sb1 Te2 As1
4
[ 1, 1, 1 ]
3
[ [ 5.04121362, 0, 0 ], [ 0, 5.04121362, 0 ], [ 0, 0, 4.83885743 ] ]
agm001806185
[ [ 0, 0, 2.419428715 ], [ 2.52060681, 2.52060681, 2.419428715 ], [ 0, 2.52060681, 0 ], [ 2.52060681, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Sb", "As", "Te", "Te", "Co" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.6876348, 0, 0 ], [ 0, 0.6876348, 0 ], [ 0, 0, 0.15331098 ] ]
-19.747686
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
6.733433
pbe
true
af62d9135c92bfc99e27a7ef98071f3d_123_Co1Sb1Te2As1
[ "As", "Cr", "F", "Se" ]
5
A2BCD
AsCrFSe2
Cr1 As1 Se2 F1
4
[ 1, 1, 1 ]
3
[ [ 5.08120773, 0, 0 ], [ 0, 5.08120773, 0 ], [ 0, 0, 4.00286515 ] ]
agm001787426
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Cr", "As", "Se", "Se", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.47396055, 0, 0 ], [ 0, 0.47396055, 0 ], [ 0, 0, 0.24397638 ] ]
-19.748918
[ -4.228, 0.094, 0.232, 0.232, 0.023 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-3.696466
4.518761
pbe
true
6660c6e45e6157a31d5b0d6f1313b787_123_Cr1As1Se2F1
[ "As", "Cr", "Fe", "Ru" ]
4
ABCD
AsCrFeRu
Cr1 Fe1 As1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.17524636, 0, 0 ], [ 2.08762318, 3.61586942, 0 ], [ 2.08762318, 1.20528981, 3.40907438 ] ]
agm001312385
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Ru", "As", "Fe", "Cr" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 6.4649673, 0, 0 ], [ 0, 6.4649673, 0 ], [ 0, 0, 6.4649673 ] ]
-31.799306
[ 0.282, 0.062, 2.452, -0.609 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.211991
4.355079
pbe
true
ace306f7b1049a467b6227e0d07ccf22_216_Cr1Fe1As1Ru1
[ "As", "Cr", "N", "Se" ]
5
A2BCD
As2CrNSe
Cr1 As2 Se1 N1
4
[ 1, 1, 1 ]
3
[ [ 4.29028979, 0, 0 ], [ 0, 4.29028979, 0 ], [ 0, 0, 4.43966053 ] ]
agm001677719
[ [ 2.145144895, 2.145144895, 2.219830265 ], [ 0, 2.145144895, 0 ], [ 2.145144895, 0, 0 ], [ 0, 0, 2.219830265 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Cr", "As", "As", "Se", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -0.13580804, 0, 0 ], [ 0, -0.13580804, 0 ], [ 0, 0, 0.4290413 ] ]
-26.760195
[ 3.5, -0.124, -0.124, -0.198, -0.036 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.083284
1.317137
pbe
true
06186ebb31733308d70511ac13278a45_123_Cr1As2Se1N1
[ "As", "Cr", "Re", "Se" ]
5
A2BCD
As2CrReSe
Cr1 Re1 As2 Se1
4
[ 1, 1, 1 ]
3
[ [ 4.68031935, 0, 0 ], [ 0, 4.68031935, 0 ], [ 0, 0, 5.36491907 ] ]
agm001676553
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Re", "As", "As", "Se", "Cr" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 2.1798396, 0, 0 ], [ 0, 2.1798396, 0 ], [ 0, 0, 1.9875317 ] ]
-28.502626
[ 0.43, 0.007, 0.007, 0.128, -0.413 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.246815
5.873304
pbe
true
ea72c3ab29db1157cb8d3ea8811c5d47_123_Cr1Re1As2Se1
[ "As", "Cs", "Cu", "Ta" ]
5
A2BCD
AsCsCuTa2
Cs1 Ta2 Cu1 As1
4
[ 1, 1, 1 ]
3
[ [ 5.15084635, 0, 0 ], [ 0, 4.77003486, 0 ], [ 0, 0, 5.15084635 ] ]
agm001585372
[ [ 0, 0, 0 ], [ 2.575423175, 2.38501743, 2.575423175 ], [ 0, 2.38501743, 0 ], [ 0, 0, 2.575423175 ], [ 2.575423175, 0, 0 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "As", "Cu", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -1.1970842, 0, 0 ], [ 0, -0.36867604, 0 ], [ 0, 0, -1.1970842 ] ]
-18.32171
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000086
5.028297
pbe
true
052249c65c24df2b9173184d53d6d62f_123_Cs1Ta2Cu1As1
[ "As", "Cs", "Np", "Se" ]
15
A8B3C3D
AsCs3Np3Se8
Cs3 Np3 As1 Se8
4
[ 1, 1, 1 ]
3
[ [ 8.47143508, 0, 0 ], [ -4.23571754, 7.35193868, -0.02689536 ], [ 0, -4.86912337, 8.4931971 ] ]
agm004689440
[ [ 0, 0, 0 ], [ -2.11785877, 3.67596934, -0.01344768 ], [ 2.11785877, 3.67596934, -0.01344768 ], [ 4.23571754, -2.434561685, 4.24659855 ], [ 2.11785877, 1.2414076550000002, 4.23315087 ], [ -2.11785877, 1.2414076550000002, 4.23315087 ], [ 0, -2.434561685, 4.24659855 ], [ -1.7230433890217114e-16, 2.4529063089121714, 2.6539061560475123 ], [ 4.23571754, 0.0299090010878285, 5.812395583952488 ], [ 4.235713346639635, 2.541430275714236, 2.748838175603005 ], [ 0.0000041933603645289, -0.058614965714236245, 5.717463564396994 ], [ 6.424817902234644, -1.26059995118134, 2.7507796923483747 ], [ -2.1891003622346443, 3.7434152611813403, 5.715522047651625 ], [ 2.046617177765355, -1.26059995118134, 2.7507796923483747 ], [ 2.189100362234645, 3.7434152611813403, 5.715522047651625 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Np", "Np", "Np", "As", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.06666666666666667, 0.2, 0.2, 0.5333333333333333 ]
[ [ 1.0131047, 0, 0 ], [ 0, 1.0482285, -0.008433 ], [ 0, -0.00843301, 1.1361029 ] ]
-89.251815
[ 0.004, -0.004, -0.004, -3.674, 3.726, 3.726, 0.014, -0.028, -0.028, -0.067, -0.067, 0.001, 0.001, 0.001, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00334896, 0.00326267 ], [ 0, -0.00334896, -0.00326267 ], [ 0, 0.00046221, 0.00113442 ], [ 0, -0.00046221, -0.00113442 ], [ -0.00360059, 0.00080901, 0.00169916 ], [ 0.00360059, -0.00080901, -0.00169916 ], [ 0.00360059, 0.00080901, 0.00169916 ], [ -0.00360059, -0.00080901, -0.00169916 ] ]
3.70313
20.14148
pbe
true
909f38bafa8a3cf4a2e1a797c8650726_12_Cs3Np3As1Se8
[ "As", "Cu", "Ge", "S" ]
4
ABCD
AsCuGeS
Cu1 Ge1 As1 S1
4
[ 1, 1, 1 ]
3
[ [ 3.89111851, -0.00354386, -0.00941746 ], [ -1.94474451, 3.3702796, 0.00941746 ], [ -1.93310343, -1.12842192, 6.33311127 ] ]
agm005191079
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Cu", "Ge", "As", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.6867353, 0.0059356, 0.01620084 ], [ 0.0059356, -1.6798997, -0.00936601 ], [ 0.01616924, -0.00934774, -1.937149 ] ]
-18.326692
[ 0, 0, 0, 0 ]
[ [ -0.00175787, 0.00101626, 0.00239724 ], [ 0.00176326, -0.00101937, -0.00222003 ], [ 0.00155086, -0.00089658, -0.00013499 ], [ -0.00155625, 0.0008997, -0.00004222 ] ]
-0.000002
0.567274
pbe
true
1207afc20a6c218a505c19fd5b33cf0e_8_Cu1Ge1As1S1
[ "As", "Cu", "Mg", "Y" ]
5
A2BCD
AsCuMgY2
Y2 Mg1 Cu1 As1
4
[ 1, 1, 1 ]
3
[ [ 5.5397297, 0, 0 ], [ 0, 4.66748979, 0 ], [ 0, 0, 5.5397297 ] ]
agm001558130
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "As", "Mg", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -0.91503036, 0, 0 ], [ 0, 0.542446, 0 ], [ 0, 0, -0.91503036 ] ]
-20.254666
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.254142
pbe
true
7ed35b33be5756f465788e4640cc98ad_123_Y2Mg1Cu1As1
[ "As", "Cu", "Na", "Pu" ]
12
A2B2CD
As2CuNa2Pu
Na4 Pu2 Cu2 As4
4
[ 1, 1, 1 ]
3
[ [ 4.31468231, 0, 0 ], [ 0, 7.1643219, 0 ], [ 0, 0, 8.35973606 ] ]
agm004739426
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Na", "Na", "Na", "Na", "Pu", "Pu", "Cu", "Cu", "As", "As", "As", "As" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]
[ [ -0.9730741, 0, 0 ], [ 0, -0.8793229, 0 ], [ 0, 0, -1.0045652 ] ]
-67.023684
[ 0.001, 0, 0.001, 0, 5.147, 5.147, -0.047, -0.047, -0.086, -0.119, -0.086, -0.119 ]
[ [ 0, -0.00256337, -0.00051975 ], [ 0, -0.00294423, 0.00174409 ], [ 0, -0.00256337, 0.00051975 ], [ 0, -0.00294423, -0.00174409 ], [ 0, -0.003785, 0.00036795 ], [ 0, -0.003785, -0.00036795 ], [ 0, 0.01304018, 0.00159008 ], [ 0, 0.01304018, -0.00159008 ], [ 0, -0.00039453, -0.00080997 ], [ 0, -0.00335305, 0.00126981 ], [ 0, -0.00039453, 0.00080997 ], [ 0, -0.00335305, -0.00126981 ] ]
9.988368
20.833973
pbe
true
8569589c2e04e477f73f7ba0aef98c09_26_Na4Pu2Cu2As4
[ "As", "Cu", "O", "Pb" ]
44
A7B2CD
As2CuO7Pb
Cu4 As8 Pb4 O28
4
[ 1, 1, 1 ]
3
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agm003249161
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2023-11-16 06:57:59
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c6ebd04450fb0dd0559a5b17a580391d_14_Cu4As8Pb4O28
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5
A2BCD
As2CuOsRb
Rb1 Cu1 As2 Os1
4
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3
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agm001451200
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[ "As", "As", "Os", "Cu", "Rb" ]
2023-11-16 06:57:59
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2.028541
6.943111
pbe
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9
A4B2C2D
AsCu2Se4Tl2
Tl2 Cu2 As1 Se4
4
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3
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agm004559243
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[ "Tl", "Tl", "Cu", "Cu", "As", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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0
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pbe
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0983afc4c48a1c3f49a2f0d98da63b55_12_Tl2Cu2As1Se4
[ "As", "Cu", "Si", "Zr" ]
5
A2BCD
AsCu2SiZr
Zr1 Si1 Cu2 As1
4
[ 1, 1, 1 ]
3
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agm001514052
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[ "As", "Si", "Cu", "Cu", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0
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pbe
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16ad24771fcbc43d7b1cdc486b7c899f_123_Zr1Si1Cu2As1
[ "As", "Cu", "Ta", "Zn" ]
5
A2BCD
AsCuTaZn2
Ta1 Zn2 Cu1 As1
4
[ 1, 1, 1 ]
3
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agm001520841
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[ "As", "Zn", "Zn", "Cu", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0
2.766122
pbe
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67a7ca5954f088f1c2cc3c8de2243860_123_Ta1Zn2Cu1As1
[ "As", "Dy", "Ho", "Np" ]
8
A4B2CD
As4Dy2HoNp
Dy2 Ho1 Np1 As4
4
[ 1, 1, 1 ]
3
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agm004840693
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[ "Dy", "Dy", "Ho", "Np", "As", "As", "As", "As" ]
2023-11-16 06:57:59
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3.759646
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6a1c59565e6521a6764a9bc2be008b65_10_Dy2Ho1Np1As4
[ "As", "Dy", "Pu", "Rh" ]
10
A4B3C2D
As3DyPu2Rh4
Dy1 Pu2 As3 Rh4
4
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3
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agm004538102
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[ "Dy", "Pu", "Pu", "As", "As", "As", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
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10.776176
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dee1e9f98aa11f3524afa2effb8c92fb_115_Dy1Pu2As3Rh4
[ "As", "Dy", "Pm", "Pu" ]
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A4B2CD
As4Dy2PmPu
Pm1 Dy2 Pu1 As4
4
[ 1, 1, 1 ]
3
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agm004840566
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[ "Pm", "Dy", "Dy", "Pu", "As", "As", "As", "As" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.125, 0.125 ]
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4.935084
13.467545
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da7313f2e21594edc9b5d3deb83ad920_10_Pm1Dy2Pu1As4
[ "As", "Dy", "Tm", "Y" ]
12
A6B3C2D
As6Dy3TmY2
Dy3 Y2 Tm1 As6
4
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3
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agm004601873
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2023-11-16 06:57:59
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3497228d127aefb608042750916f2cb4_12_Dy3Y2Tm1As6
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A6B2CD
AsF6HRb2
Rb2 As1 H1 F6
4
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3
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agm004484599
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2023-11-16 06:57:59
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pbe
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5
A2BCD
AsFNi2Sn
Ni2 Sn1 As1 F1
4
[ 1, 1, 1 ]
3
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agm001526279
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[ "Ni", "Ni", "As", "Sn", "F" ]
2023-11-16 06:57:59
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1.991621
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pbe
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5
A2BCD
AsFOsPd2
As1 Os1 Pd2 F1
4
[ 1, 1, 1 ]
3
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agm001508222
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[ "As", "Os", "Pd", "Pd", "F" ]
2023-11-16 06:57:59
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0
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pbe
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48e65cebeac60fcb9dacf9196f95142e_123_As1Os1Pd2F1
[ "As", "Fe", "In", "O" ]
10
A6B2CD
AsFe2InO6
In1 Fe2 As1 O6
4
[ 1, 1, 1 ]
3
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agm004951464
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[ "In", "Fe", "Fe", "As", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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-62.000272
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8.000333
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pbe
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988756248cdfb40185e0a60e09808814_1_In1Fe2As1O6
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12
A2B2CD
As2FeLiRb2
Rb4 Li2 Fe2 As4
4
[ 1, 1, 1 ]
3
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agm002284737
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[ "As", "As", "As", "As", "Fe", "Fe", "Rb", "Rb", "Rb", "Rb", "Li", "Li" ]
2023-11-16 06:57:59
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-47.627424
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5.097879
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pbe
true
ff63585fbf632034320f89bd4c4c6ebb_72_Rb4Li2Fe2As4
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5
A2BCD
AsFeSb2Zn
Zn1 Fe1 Sb2 As1
4
[ 1, 1, 1 ]
3
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agm001537397
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[ "Sb", "Sb", "As", "Zn", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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pbe
true
da3ed0b4950520aa6af7490a4f024fae_123_Zn1Fe1Sb2As1
[ "As", "Ga", "I", "O" ]
5
A2BCD
AsGaIO2
Ga1 As1 I1 O2
4
[ 1, 1, 1 ]
3
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agm001745585
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[ "I", "As", "O", "O", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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1.25054
2.655671
pbe
true
9fb6a7242becde57d8c8f994c781b402_123_Ga1As1I1O2
[ "As", "Ga", "K", "O" ]
14
A4BCD
AsGaKO4
K2 Ga2 As2 O8
4
[ 1, 1, 1 ]
3
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agm005049993
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[ "K", "K", "Ga", "Ga", "As", "As", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
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pbe
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426e50e5a8471d1c691894e47ad779d2_11_K2Ga2As2O8
[ "As", "Ga", "Na", "Rb" ]
12
A2B2CD
As2GaNaRb2
Rb4 Na2 Ga2 As4
4
[ 1, 1, 1 ]
3
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agm002165853
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2023-11-16 06:57:59
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pbe
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87e29ff527d176b1a9d697a4375f8b60_72_Rb4Na2Ga2As4
[ "As", "Ga", "Se", "Ta" ]
5
A2BCD
As2GaSeTa
Ta1 Ga1 As2 Se1
4
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3
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agm001676919
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[ "As", "As", "Ga", "Se", "Ta" ]
2023-11-16 06:57:59
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2f3480eacb9fbb571a8dfc8941b07571_123_Ta1Ga1As2Se1
[ "As", "Ga", "Se", "Zn" ]
5
A2BCD
As2GaSeZn
Zn1 Ga1 As2 Se1
4
[ 1, 1, 1 ]
3
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agm001679270
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[ "Zn", "As", "As", "Ga", "Se" ]
2023-11-16 06:57:59
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0.000001
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pbe
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3044219588167778e202ae7ff1e67d3b_123_Zn1Ga1As2Se1
[ "As", "Ge", "N", "Pd" ]
5
A2BCD
As2GeNPd
Ge1 As2 Pd1 N1
4
[ 1, 1, 1 ]
3
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agm001502709
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[ "As", "As", "Ge", "Pd", "N" ]
2023-11-16 06:57:59
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pbe
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49d3d5f5a3be33cc73d846f99350a7f6_123_Ge1As2Pd1N1
[ "As", "Ge", "O", "P" ]
5
A2BCD
AsGeOP2
Ge1 As1 P2 O1
4
[ 1, 1, 1 ]
3
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agm001761008
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[ "P", "P", "As", "Ge", "O" ]
2023-11-16 06:57:59
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-0
2.236656
pbe
true
8aed12e17fff3a3b17222b5a79333620_123_Ge1As1P2O1
[ "As", "H", "Mn", "Zr" ]
5
A2BCD
AsHMn2Zr
Zr1 Mn2 As1 H1
4
[ 1, 1, 1 ]
3
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agm001652116
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[ "H", "As", "Mn", "Mn", "Zr" ]
2023-11-16 06:57:59
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5.228702
4.1169
pbe
true
a3ec05d0ed7e88092ef0acbc41e5598f_123_Zr1Mn2As1H1
[ "As", "Hg", "K", "Zn" ]
5
A2BCD
AsHgK2Zn
K2 Zn1 Hg1 As1
4
[ 1, 1, 1 ]
3
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agm001645084
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[ "K", "K", "Zn", "As", "Hg" ]
2023-11-16 06:57:59
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0.000032
1.864822
pbe
true
a075e73f8564fefba64fac661fe1fa45_123_K2Zn1Hg1As1
[ "As", "Hg", "O", "Rb" ]
20
A6B2CD
As2HgO6Rb
Rb2 Hg2 As4 O12
4
[ 1, 1, 1 ]
3
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agm004976198
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[ "Rb", "Rb", "Hg", "Hg", "As", "As", "As", "As", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
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pbe
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79e093d2feb48bad93430e9250ca9142_15_Rb2Hg2As4O12
[ "As", "Hg", "O", "P" ]
5
A2BCD
AsHgOP2
Hg1 As1 P2 O1
4
[ 1, 1, 1 ]
3
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agm001759754
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[ "P", "P", "As", "Hg", "O" ]
2023-11-16 06:57:59
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3b27fe6926fc03c07cd738fe4afaa52e_123_Hg1As1P2O1
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12
A6B3C2D
As2HgS3Sm6
Sm6 Hg1 As2 S3
4
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3
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agm004610379
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[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Hg", "As", "As", "S", "S", "S" ]
2023-11-16 06:57:59
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pbe
true
6177d6faddbf877882b2b36a57d92ab3_12_Sm6Hg1As2S3
[ "As", "Ho", "Li", "S" ]
14
A4BCD
AsHoLiS4
Li2 Ho2 As2 S8
4
[ 1, 1, 1 ]
3
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agm005063071
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[ "Li", "Li", "Ho", "Ho", "As", "As", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
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68fb00d90c42e7ac2683050551dbf94b_74_Li2Ho2As2S8
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8
A4B2CD
AsHo4Se2Tl
Ho4 Tl1 As1 Se2
4
[ 1, 1, 1 ]
3
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agm004822638
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[ "Ho", "Ho", "Ho", "Ho", "Tl", "As", "Se", "Se" ]
2023-11-16 06:57:59
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0.000004
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pbe
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91f017c1f75b60e6092693f8554dda53_10_Ho4Tl1As1Se2
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5
A2BCD
AsI2ScZr
Zr1 Sc1 As1 I2
4
[ 1, 1, 1 ]
3
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agm001487791
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[ "I", "I", "Sc", "As", "Zr" ]
2023-11-16 06:57:59
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0.224902
6.305302
pbe
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1a616a24039a3cefdcc5ce596c91b178_123_Zr1Sc1As1I2
[ "As", "In", "Se", "Sn" ]
5
A2BCD
As2InSeSn
In1 Sn1 As2 Se1
4
[ 1, 1, 1 ]
3
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agm001493520
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[ "As", "As", "Sn", "Se", "In" ]
2023-11-16 06:57:59
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-0
4.955298
pbe
true
3acbb65c3435e83e4261b0f46105e890_123_In1Sn1As2Se1
[ "As", "Ir", "Pm", "Te" ]
16
A8B4C3D
AsIr3Pm8Te4
Pm8 Te4 As1 Ir3
4
[ 1, 1, 1 ]
3
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agm004731817
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[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Te", "Te", "Te", "Te", "As", "Ir", "Ir", "Ir" ]
2023-11-16 06:57:59
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pbe
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edb0b6459b40ce189bab97d1008be8cc_166_Pm8Te4As1Ir3
[ "As", "Ir", "Rb", "Se" ]
5
A2BCD
AsIrRbSe2
Rb1 As1 Ir1 Se2
4
[ 1, 1, 1 ]
3
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agm001789060
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[ "As", "Ir", "Se", "Se", "Rb" ]
2023-11-16 06:57:59
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0.479906
6.5621
pbe
true
b38b9ea417eaf035c8dcdc1affb73e92_123_Rb1As1Ir1Se2
[ "As", "K", "Na", "Se" ]
5
A2BCD
AsKNaSe2
K1 Na1 As1 Se2
4
[ 1, 1, 1 ]
3
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agm001788573
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[ "Na", "As", "K", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0.000034
6.117978
pbe
true
d0b933cf3e9788664c7444d547539438_123_K1Na1As1Se2
[ "As", "K", "O", "Tm" ]
15
A8B3C3D
AsK3O8Tm3
K3 Tm3 As1 O8
4
[ 1, 1, 1 ]
3
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agm004683249
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[ "K", "K", "K", "Tm", "Tm", "Tm", "As", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
1.907119
pbe
true
8edbf4e412ccee85bd156391423729a2_166_K3Tm3As1O8
[ "As", "La", "Si", "Te" ]
12
A6B3C2D
As2La6SiTe3
La6 Si1 Te3 As2
4
[ 1, 1, 1 ]
3
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agm004598878
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "La", "La", "La", "La", "La", "La", "Si", "Te", "Te", "Te", "As", "As" ]
2023-11-16 06:57:59
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pbe
true
933eefcc2334f98ba9a0b4215076782b_12_La6Si1Te3As2
[ "As", "La", "Pt", "Rh" ]
10
A4B3C2D
As3La2PtRh4
La2 As3 Pt1 Rh4
4
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3
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agm004519086
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "La", "La", "As", "As", "As", "Pt", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
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7d676e0f2b1bfaa935c690f2221e2a32_115_La2As3Pt1Rh4
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5
A2BCD
AsLiReY2
Li1 Y2 Re1 As1
4
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3
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agm001567697
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2023-11-16 06:57:59
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pbe
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16e98bc6b9a0473c4d363d198fd1a7a9_123_Li1Y2Re1As1
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5
A2BCD
AsMgNSc2
Mg1 Sc2 As1 N1
4
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3
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agm001652147
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[ "Sc", "Sc", "As", "Mg", "N" ]
2023-11-16 06:57:59
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pbe
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a1dc82e0b127a54450ee0da62313d861_123_Mg1Sc2As1N1
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15
A8B3C3D
As3NPm8Te3
Pm8 Te3 As3 N1
4
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3
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agm004698397
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[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Te", "Te", "Te", "As", "As", "As", "N" ]
2023-11-16 06:57:59
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0.729419
9.726143
pbe
true
cb284fc34724b78772e5d90279cef927_166_Pm8Te3As3N1
[ "As", "N", "Pt", "S" ]
5
A2BCD
AsNPtS2
As1 Pt1 S2 N1
4
[ 1, 1, 1 ]
3
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agm001771295
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[ "As", "S", "S", "Pt", "N" ]
2023-11-16 06:57:59
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pbe
true
ebe51606c5d6d74026465f9adcf533fe_123_As1Pt1S2N1
[ "As", "Na", "Ni", "Zr" ]
5
A2BCD
As2NaNiZr
Na1 Zr1 Ni1 As2
4
[ 1, 1, 1 ]
3
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agm001549617
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[ "Ni", "As", "As", "Zr", "Na" ]
2023-11-16 06:57:59
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6.100175
pbe
true
adceaa6c63e1147a3d8ea6f721681958_123_Na1Zr1Ni1As2
[ "As", "Na", "Se", "Sr" ]
16
A4B2CD
AsNa2Se4Sr
Na4 Sr2 As2 Se8
4
[ 1, 1, 1 ]
3
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agm004774254
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[ "Na", "Na", "Na", "Na", "Sr", "Sr", "As", "As", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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0.000193
14.670867
pbe
true
8cf7007299501ac63fba60745b62c7e1_74_Na4Sr2As2Se8
[ "As", "Nb", "Si", "V" ]
5
A2BCD
AsNbSi2V
Nb1 V1 Si2 As1
4
[ 1, 1, 1 ]
3
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agm001509679
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[ "Nb", "Si", "Si", "As", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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0
4.098773
pbe
true
5062395dee62d832ae75b0ab1f12c759_123_Nb1V1Si2As1
[ "As", "Ni", "P", "Si" ]
8
ABCD
AsNiPSi
Si2 Ni2 As2 P2
4
[ 1, 1, 1 ]
3
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agm002023238
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[ "Ni", "Ni", "As", "As", "Si", "Si", "P", "P" ]
2023-11-16 06:57:59
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2.282989
pbe
true
522d561c263932a891fd1107635a9692_38_Si2Ni2As2P2
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10
A4B3C2D
As4NiPd3Th2
Th2 Ni1 As4 Pd3
4
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3
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agm004531607
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[ "Th", "Th", "Ni", "As", "As", "As", "As", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.4, 0.1, 0.3, 0.2 ]
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0.000001
4.266504
pbe
true
6637df039a712053559a380be278634a_115_Th2Ni1As4Pd3
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6
A2B2CD
As2NiRh2Sm
Sm1 Ni1 As2 Rh2
4
[ 1, 1, 1 ]
3
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agm004749602
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[ "Sm", "Ni", "As", "As", "Rh", "Rh" ]
2023-11-16 06:57:59
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0.000004
4.007511
pbe
true
87bdb0a4469561af2b3526f21ea82fc1_123_Sm1Ni1As2Rh2
[ "As", "Np", "Pm", "Tb" ]
8
A4B2CD
As4NpPm2Tb
Tb1 Pm2 Np1 As4
4
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3
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2023-11-16 06:57:59
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agm001752159
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2023-11-16 06:57:59
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Tl2 As2 Pb1 O6
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agm004571956
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2023-11-16 06:57:59
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A6B2CD
AsO6Pb2Y
Y2 As2 Pb4 O12
4
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agm004965677
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2023-11-16 06:57:59
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A2BCD
AsOSe2Y
Y1 As1 Se2 O1
4
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3
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agm001788866
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2023-11-16 06:57:59
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9.53614
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cefcddc783994ab65d33c93588b3636c_123_Y1As1Se2O1
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A8B4C3D
As4PPr8Se3
Pr8 As4 P1 Se3
4
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agm004722107
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2023-11-16 06:57:59
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As2PSTb4
Tb4 As2 P1 S1
4
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agm004828182
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2023-11-16 06:57:59
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A3B3C2D
Au2BPm3Rh3
Pm3 B1 Rh3 Au2
4
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agm004505762
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[ "Pm", "Pm", "Pm", "B", "Rh", "Rh", "Rh", "Au", "Au" ]
2023-11-16 06:57:59
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Au2BaCaCd2
Ba1 Ca1 Cd2 Au2
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[ "Ba", "Ca", "Cd", "Cd", "Au", "Au" ]
2023-11-16 06:57:59
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A2BCD
AuBa2CaO
Ba2 Ca1 Au1 O1
4
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agm001632548
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ca", "Au", "Ba", "Ba", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0.000473
4.435186
pbe
true
2395d67f0915d4cd2b3d4b20ae4fbee6_123_Ba2Ca1Au1O1
[ "Au", "Ba", "In", "Se" ]
5
A2BCD
Au2BaInSe
Ba1 In1 Au2 Se1
4
[ 1, 1, 1 ]
3
[ [ 6.14530041, 0, 0 ], [ 0, 6.02505688, 0 ], [ 0, 0, 6.14530041 ] ]
agm001568620
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Au", "Ba", "Se", "In" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.8064125, 0, 0 ], [ 0, 3.5640643, 0 ], [ 0, 0, 1.8064125 ] ]
-13.620193
[ 0.013, 0.017, 0.029, 0.262, -0.002 ]
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0.511198
3.605471
pbe
true
d456b355f8273a36e091578cc3c96a72_123_Ba1In1Au2Se1
[ "Au", "Ba", "K", "Te" ]
10
A2BCD
AuBaKTe2
K2 Ba2 Te4 Au2
4
[ 1, 1, 1 ]
3
[ [ 5.5426442, 0, 0 ], [ 0, 9.37168856, 0 ], [ 0, -4.68584428, 8.8051058 ] ]
agm005006759
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "K", "K", "Ba", "Ba", "Te", "Te", "Te", "Te", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.959769, 0, 0 ], [ 0, 0.9746204, 0 ], [ 0, 0, 1.0178335 ] ]
-35.368581
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00308442, 0, 0 ], [ 0.00308442, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00052955, 0, 0.00062636 ], [ -0.00052955, 0, -0.00062636 ], [ 0.00052955, 0, 0.00062636 ], [ 0.00052955, 0, -0.00062636 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0
pbe
true
8a7e6a87e37277882abe45ac83044b22_67_K2Ba2Te4Au2
[ "Au", "Be", "Ga", "Ni" ]
5
A2BCD
AuBeGaNi2
Be1 Ga1 Ni2 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.32834472, 0, 0 ], [ 0, 4.13209304, 0 ], [ 0, 0, 4.32834472 ] ]
agm001535573
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[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ni", "Ni", "Au", "Ga", "Be" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -2.71309, 0, 0 ], [ 0, -4.6819973, 0 ], [ 0, 0, -2.71309 ] ]
-18.278571
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.262662
pbe
true
d11340636115e226488a267a6c0143c2_123_Be1Ga1Ni2Au1
[ "Au", "Be", "Pb", "Pd" ]
4
ABCD
AuBePbPd
Be1 Pd1 Pb1 Au1
4
[ 1, 1, 1 ]
3
[ [ 3.69337902, 0, 0 ], [ -1.84668951, 3.19856006, 0 ], [ 0, 0, 6.37509496 ] ]
agm002039068
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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pb", "Be", "Au", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.082382, 0, 0 ], [ 0, 2.082382, 0 ], [ 0, 0, 1.5842708 ] ]
-16.535176
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00329059 ], [ 0, 0, -0.01058441 ], [ 0, 0, 0.00208861 ], [ 0, 0, 0.00520522 ] ]
0
0.922978
pbe
true
a4c119b7607e66b977caf8a3ddd80552_156_Be1Pd1Pb1Au1
[ "Au", "Bi", "Li", "Sc" ]
5
A2BCD
AuBi2LiSc
Li1 Sc1 Bi2 Au1
4
[ 1, 1, 1 ]
3
[ [ 5.1271619, 0, 0 ], [ 0, 4.58551632, 0 ], [ 0, 0, 5.1271619 ] ]
agm001522027
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sc", "Au", "Bi", "Bi", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.583841, 0, 0 ], [ 0, 1.0261467, 0 ], [ 0, 0, 2.583841 ] ]
-19.278733
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
2.877617
pbe
true
8d15275ac331338d65ee60c88b02e50f_123_Li1Sc1Bi2Au1
[ "Au", "Br", "Nb", "Se" ]
5
A2BCD
AuBr2NbSe
Nb1 Au1 Se1 Br2
4
[ 1, 1, 1 ]
3
[ [ 5.18049313, 0, 0 ], [ 0, 5.18049313, 0 ], [ 0, 0, 5.01710254 ] ]
agm001685371
[ [ 0, 0, 0 ], [ 2.590246565, 2.590246565, 2.50855127 ], [ 0, 0, 2.50855127 ], [ 0, 2.590246565, 0 ], [ 2.590246565, 0, 0 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Nb", "Au", "Se", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.263798, 0, 0 ], [ 0, 2.263798, 0 ], [ 0, 0, 2.4602242 ] ]
-19.870232
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
3.307855
pbe
true
9432c943f7b543337336cb36ce13f619_123_Nb1Au1Se1Br2
[ "Au", "Ca", "Cu", "Ni" ]
12
A3BCD
Au3CaCuNi
Ca2 Cu2 Ni2 Au6
4
[ 1, 1, 1 ]
3
[ [ 5.53068226, 0, 0 ], [ 0, 6.95114586, 0 ], [ 0, -3.47557293, 6.14351143 ] ]
agm005044781
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ca", "Ca", "Cu", "Cu", "Ni", "Ni", "Au", "Au", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ -3.0713096, 0, 0 ], [ 0, -3.2693264, 0 ], [ 0, 0, -3.2956622 ] ]
-45.026954
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00023716 ], [ 0, 0, 0.00023716 ], [ 0, 0, 0.00941954 ], [ 0, 0, -0.00941954 ], [ 0, 0, 0.00378639 ], [ 0, 0, -0.00378639 ], [ 0, 0, -0.00354553 ], [ 0, 0.0028426, 0 ], [ 0, -0.0028426, 0 ], [ 0, 0.0028426, 0 ], [ 0, -0.0028426, 0 ], [ 0, 0, 0.00354553 ] ]
0
3.715117
pbe
true
a4a10dc344d00d77c3f2d961271e647d_63_Ca2Cu2Ni2Au6
[ "Au", "Ca", "In", "Pm" ]
8
A4B2CD
Au4CaInPm2
Ca1 Pm2 In1 Au4
4
[ 1, 1, 1 ]
3
[ [ 5.09221489, 0, 0 ], [ 2.54610744, 4.40998745, 0 ], [ 2.54610744, 1.46999582, 8.37731994 ] ]
agm004804343
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ca", "Pm", "Pm", "In", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.125, 0.25 ]
[ [ 4.0903544, 0, 0 ], [ 0, 4.0903544, 0 ], [ 0, 0, 4.2463717 ] ]
-33.445856
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00345847 ], [ 0, 0, -0.00345847 ], [ 0, 0, 0 ], [ 0, 0, -0.00230749 ], [ 0, 0, 0.00457835 ], [ 0, 0, -0.00457835 ], [ 0, 0, 0.00230749 ] ]
0.000001
4.367887
pbe
true
9b96adc99e260aee583b8e98eca5b341_166_Ca1Pm2In1Au4
[ "Au", "Cd", "H", "Se" ]
15
A6B6C2D
Au2CdH6Se6
Cd1 H6 Au2 Se6
4
[ 1, 1, 1 ]
3
[ [ 7.49161397, 1.38629033, 0 ], [ -2.62228993, 4.58543877, 0 ], [ 0, 0, 20.62995476 ] ]
agm2000135917
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Cd", "H", "H", "H", "H", "H", "H", "Au", "Au", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.13333333333333333, 0.06666666666666667, 0.4, 0.4 ]
[ [ 1.3976101, 0.05835087, 0.040955 ], [ 0.05835078, 1.4836607, -0.04296121 ], [ 0.04095503, -0.04296129, -0.39087948 ] ]
-49.17744
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[ [ 0, 0, 0 ], [ 0.02452474, 0.01646066, -0.01872361 ], [ -0.01180518, -0.0066747, -0.02189817 ], [ -0.01762172, 0.0216616, 0.00571291 ], [ -0.02452474, -0.01646066, 0.01872361 ], [ 0.01180518, 0.0066747, 0.02189817 ], [ 0.01762172, -0.0216616, -0.00571291 ], [ 0.00086735, 0.00187983, 0.00081229 ], [ -0.00086735, -0.00187983, -0.00081229 ], [ -0.02599298, -0.01463428, 0.01804234 ], [ 0.00905762, 0.00620136, 0.021311 ], [ 0.01871785, -0.021282, -0.005745 ], [ 0.02599298, 0.01463428, -0.01804234 ], [ -0.00905762, -0.00620136, -0.021311 ], [ -0.01871785, 0.021282, 0.005745 ] ]
0
1.916248
pbe
true
17fcdcaa7c74a4bca19affc0541a5aa6_2_Cd1H6Au2Se6
[ "Au", "Cd", "Mg", "Pu" ]
8
A4B2CD
Au4CdMg2Pu
Pu1 Mg2 Cd1 Au4
4
[ 1, 1, 1 ]
3
[ [ 4.69465311, 0, 0 ], [ 2.34732656, 4.06568886, 0 ], [ 2.34732655, 1.35522962, 8.74951674 ] ]
agm004795171
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pu", "Mg", "Mg", "Cd", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.25, 0.125 ]
[ [ 4.178943, 0, 0 ], [ 0, 4.178943, 0 ], [ 0, 0, 4.260415 ] ]
-34.828373
[ 5.263, 0.004, 0.004, -0.002, 0.003, 0.008, 0.008, 0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00681452 ], [ 0, 0, -0.00681452 ], [ 0, 0, 0 ], [ 0, 0, -0.00561239 ], [ 0, 0, 0.00035993 ], [ 0, 0, -0.00035993 ], [ 0, 0, 0.00561239 ] ]
5.605975
17.088078
pbe
true
d8498aaf42e08fd5c2fefbf7e24568d4_166_Pu1Mg2Cd1Au4
[ "Au", "Ce", "H", "Pd" ]
10
A6B2CD
AuCe2HPd6
Ce2 H1 Pd6 Au1
4
[ 1, 1, 1 ]
3
[ [ 5.582955, 0.02726571, -0.13169797 ], [ -0.01605556, 7.20063754, -1.06247939 ], [ 2.70442864, 2.89817177, 3.92584322 ] ]
agm004930488
[ [ 5.358627200766035, 3.5211241511794107, 1.2989404600733494 ], [ 2.9127033309718344, 6.604951290384439, 1.4327040873666255 ], [ 5.5668992821875625, 7.227902978315121, -1.1941747553151265 ], [ 2.460231529924034, 2.5536256471678276, 1.9235591478586906 ], [ 4.534121038967703, 5.630541407450525, -0.7958181770525715 ], [ 4.399724433588781, 8.982065856830054, 2.792874765004381 ], [ 3.8716034106569808, 1.144006747027555, -0.06119074862545389 ], [ 3.7372046689577307, 4.495533618739978, 3.527500869179872 ], [ 5.811096801814287, 7.572447522965932, 0.8081132935586881 ], [ 2.7834493640286797, 3.613951368526306, -0.5970843951492409 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ce", "Ce", "H", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Au" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 6.361264, 0.03837035, -0.04093267 ], [ 0.03837057, 6.4230776, -0.02496862 ], [ -0.0409324, -0.02496877, 6.3556056 ] ]
-55.183872
[ 0.637, 0.637, 0, -0.017, -0.016, -0.017, -0.017, -0.016, -0.017, 0.003 ]
[ [ 0.00200746, -0.00147154, 0.00084799 ], [ -0.00200746, 0.00147154, -0.00084799 ], [ 0, 0, 0 ], [ -0.00287176, 0.00220528, 0.00591815 ], [ 0.00146441, 0.00301166, -0.00222082 ], [ -0.00204225, 0.00296374, -0.00118577 ], [ 0.00204225, -0.00296374, 0.00118577 ], [ -0.00146441, -0.00301166, 0.00222082 ], [ 0.00287176, -0.00220528, -0.00591815 ], [ 0, 0, 0 ] ]
1.35836
13.461528
pbe
true
b8ebc955306c29eb0b66374c7146c773_12_Ce2H1Pd6Au1
[ "Au", "Ce", "Hg", "Mg" ]
4
ABCD
AuCeHgMg
Ce1 Mg1 Hg1 Au1
4
[ 1, 1, 1 ]
3
[ [ 5.08788718, 0, 0 ], [ 2.54394359, 4.40623955, 0 ], [ 2.54394359, 1.46874652, 4.15424249 ] ]
agm001375847
[ [ 0, 0, 0 ], [ 2.54394359, 1.4687465174999998, 1.0385606225 ], [ 7.6318307700000005, 4.4062395525, 3.1156818674999998 ], [ 5.08788718, 2.9374930349999997, 2.077121245 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Mg", "Au", "Hg", "Ce" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.1013558, 0, 0 ], [ 0, 3.1013558, 0 ], [ 0, 0, 3.1013558 ] ]
-13.163835
[ 0.003, 0.006, 0.01, 0.684 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.808772
6.904995
pbe
true
c2c46561e4cfa0d90cc3a283e6938d97_216_Ce1Mg1Hg1Au1
[ "Au", "Ce", "Pm", "Zn" ]
4
ABCD
AuCePmZn
Ce1 Pm1 Zn1 Au1
4
[ 1, 1, 1 ]
3
[ [ 3.69310255, 0, 0 ], [ 0, 3.69310255, 0 ], [ 0, 0, 7.25896595 ] ]
agm005186017
[ [ 1.846551275, 1.846551275, 4.430351549535131 ], [ 1.846551275, 1.846551275, 0.757830092827921 ], [ 0, 0, 6.227359238039962 ], [ 0, 0, 2.5794551125589873 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ce", "Pm", "Zn", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.7204144, 0, 0 ], [ 0, 2.7204144, 0 ], [ 0, 0, 2.6181242 ] ]
-17.077344
[ 0.815, 0.013, 0.005, 0.006 ]
[ [ 0, 0, -0.0007443 ], [ 0, 0, 0.00011357 ], [ 0, 0, 0.00042671 ], [ 0, 0, 0.00020402 ] ]
1.033081
8.498065
pbe
true
4f29dcef0444231833501820d4881398_99_Ce1Pm1Zn1Au1
[ "Au", "Co", "H", "Pd" ]
5
A2BCD
AuCoHPd2
Co1 Pd2 H1 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.01607872, 0, 0 ], [ 0, 4.01607872, 0 ], [ 0, 0, 3.88685941 ] ]
agm001611194
[ [ 0, 0, 1.943429705 ], [ 2.00803936, 2.00803936, 1.943429705 ], [ 0, 2.00803936, 0 ], [ 2.00803936, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Co", "Au", "Pd", "Pd", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 9.646841, 0, 0 ], [ 0, 9.646841, 0 ], [ 0, 0, 10.314033 ] ]
-23.884432
[ 1.884, 0.096, 0.177, 0.177, -0.007 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.288648
4.474304
pbe
true
e284115e877399dd01295848612d976f_123_Co1Pd2H1Au1