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[
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A2BC
|
NdPmTb2
|
Tb2 Pm1 Nd1
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|
[
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agm005590474
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2023-11-16 06:57:59
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A12B6C
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Nd6Pm12Y
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Pm12 Nd6 Y1
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agm003688878
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2023-11-16 06:57:59
|
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pbe
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4c5df22874c3996f335962acc4c9b70c_148_Pm12Nd6Y1
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[
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A8B5C
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Nd8PuSm5
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Nd8 Sm5 Pu1
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2023-11-16 06:57:59
|
[
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pbe
| true
|
a3982fd5baa9235fa81482671c327d35_5_Nd8Sm5Pu1
|
[
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A2BC
|
NdRu2Sn
|
Nd1 Sn1 Ru2
| 3
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[
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1,
1
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agm002181032
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|
[
"Ru",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
221fa38d0ee6537ad738d8257ef76dc0_225_Nd1Sn1Ru2
|
[
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A6B2C
|
Nd6Ru2Te
|
Nd6 Te1 Ru2
| 3
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[
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1
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agm003498112
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2023-11-16 06:57:59
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pbe
| true
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7c1eadc86735db40cb1687433ed1894d_12_Nd6Te1Ru2
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[
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A12B7C
|
Nd12ScSm7
|
Nd12 Sm7 Sc1
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0,
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|
[
"Nd",
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"Sm",
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"Sm",
"Sm",
"Sm",
"Sm",
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2023-11-16 06:57:59
|
[
0.6,
0.05,
0.35
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[
[
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4e-8,
0.03899754
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[
3e-8,
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-6e-8
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[
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| 26.254894
|
pbe
| true
|
779f36ce808984f13b1c934540b34be6_166_Nd12Sm7Sc1
|
[
"Nd",
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|
A6BC
|
NdSc6Tm
|
Nd1 Tm1 Sc6
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
6.64706297,
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agm005787389
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4.814309591459069
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|
[
"Nd",
"Tm",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
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2023-11-16 06:57:59
|
[
0.125,
0.75,
0.125
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[
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[
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2.6558628,
-0.00095743
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[
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| 15.256263
|
pbe
| true
|
a646fde9a8db92d777180b66b3612c38_123_Nd1Tm1Sc6
|
[
"Nd",
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"Y"
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|
A2BC
|
NdSe2Y
|
Nd2 Y2 Se4
| 3
|
[
1,
1,
1
] | 3
|
[
[
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agm005671378
|
[
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[
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2.36173232753224,
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Nd",
"Nd",
"Y",
"Y",
"Se",
"Se",
"Se",
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2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
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1.8e-7,
0
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[
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[
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[
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[
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| 3.250726
|
pbe
| true
|
368ffe6d874bbe6a3ee9af4032f6e4df_194_Nd2Y2Se4
|
[
"Nd",
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|
A12B7C
|
Nd12Sm7Tb
|
Tb1 Nd12 Sm7
| 3
|
[
1,
1,
1
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[
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agm005782037
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
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"Nd",
"Nd",
"Nd",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
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2023-11-16 06:57:59
|
[
0.6,
0.35,
0.05
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[
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[
3e-8,
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[
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[
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[
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| 25.878532
|
pbe
| true
|
74b827b31805de622a058b2422bbdaa8_166_Tb1Nd12Sm7
|
[
"Nd",
"Sr",
"Zn"
] | 4
|
A2BC
|
Nd2SrZn
|
Sr1 Nd2 Zn1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.80085707,
0,
0
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[
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3.80085707,
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[
0,
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agm001139410
|
[
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[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Sr",
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"Nd",
"Nd"
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2023-11-16 06:57:59
|
[
0.5,
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0.25
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[
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0,
0
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[
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0.8456922,
0
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[
0,
0,
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|
[
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[
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[
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[
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[
0,
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] | 0.004264
| 5.722046
|
pbe
| true
|
41d2373d382dd2d23665cb6e2c0b0b53_123_Sr1Nd2Zn1
|
[
"Nd",
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"Y"
] | 8
|
A4B3C
|
Nd3ThY4
|
Nd3 Y4 Th1
| 3
|
[
1,
1,
1
] | 3
|
[
[
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-2e-8,
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[
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agm005985364
|
[
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8.436916684907196
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[
1.724127845,
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
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"Y",
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"Nd",
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] |
2023-11-16 06:57:59
|
[
0.375,
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0.5
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[
[
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0.7523073,
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[
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[
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[
[
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[
0.0000108,
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[
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] | -0
| 13.391918
|
pbe
| true
|
08644b3f6986ba37ab9caaf6e2a646d1_12_Nd3Y4Th1
|
[
"Ni",
"P",
"Ta"
] | 4
|
A2BC
|
NiP2Ta
|
Ta1 Ni1 P2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.16618168,
0,
0
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[
0,
4.12353864,
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[
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4.12353864
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agm004435719
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[
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[
0,
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1.58309084,
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Ni",
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"P",
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2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
[
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[
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[
0,
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] | -29.718739
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[
0,
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[
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[
0,
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[
0,
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[
0,
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] | 0.000004
| 2.068269
|
pbe
| true
|
157982073cfe48461c78da44d2f11a05_123_Ta1Ni1P2
|
[
"Ni",
"Pa",
"Pr"
] | 8
|
A2BC
|
Ni2PaPr
|
Pr2 Pa2 Ni4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.28954754,
0,
0
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[
0,
5.90764152,
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[
0,
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agm005686890
|
[
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[
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2023-11-16 06:57:59
|
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pbe
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530c2a0cfa21d7be920e102dee1b72a0_11_Pr2Pa2Ni4
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[
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A15B2C2
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Ni15Pm2Ru2
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Pm2 Ni15 Ru2
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[
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agm003301074
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2023-11-16 06:57:59
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| true
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20ef3202bcf428b39b951daaf1a4cd0c_166_Pm2Ni15Ru2
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A4B3C
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Ni3Pm4Si
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Pm4 Si1 Ni3
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agm003553233
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[
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2023-11-16 06:57:59
|
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pbe
| true
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2cc7386c0f7e51d89da1c1462d5043c8_25_Pm4Si1Ni3
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[
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A4B2C
|
NiPr4Sn2
|
Pr8 Ni2 Sn4
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1
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[
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agm003446997
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2023-11-16 06:57:59
|
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pbe
| true
|
06a136ff056c28eb9b4b0f4065b5cefa_11_Pr8Ni2Sn4
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[
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A3BC
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Ni3RhZn
|
Zn4 Ni12 Rh4
| 3
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1
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[
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agm003706044
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2023-11-16 06:57:59
|
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pbe
| true
|
c5d0bf930de9fe0c24d18f439831dc7c_62_Zn4Ni12Rh4
|
[
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A2BC
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Ni2SbTi
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Ti2 Ni4 Sb2
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[
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1
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[
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agm002899040
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|
[
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2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
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[
[
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0,
0
],
[
0,
-5.9586625,
0
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[
0,
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-3.3582196
]
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[
0,
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[
[
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[
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0,
0
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[
0,
-0.00166234,
0
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[
0,
0.00166234,
0
]
] | 0
| 1.977722
|
pbe
| true
|
24924d30b0015026ce87ccc9fb84c79d_122_Ti2Ni4Sb2
|
[
"Ni",
"Se",
"Te"
] | 6
|
ABC
|
NiSeTe
|
Ni2 Te2 Se2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.67820967,
0,
0
],
[
0,
4.83500291,
0
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[
0,
0,
20.52357316
]
] |
agm2000136843
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[
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11.31911714875664
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0,
0,
10.754513651125038
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[
1.839104835,
2.417501455,
9.769059508874964
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ni",
"Ni",
"Te",
"Te",
"Se",
"Se"
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2023-11-16 06:57:59
|
[
0.3333333333333333,
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0.3333333333333333
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[
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[
0,
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[
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0
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[
[
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[
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[
0,
0,
-0.00143614
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[
0,
0,
0.00143614
]
] | 0.000005
| 5.297499
|
pbe
| true
|
a2023e6e30d1bf0354640b70df849d24_59_Ni2Te2Se2
|
[
"Ni",
"Si",
"V"
] | 7
|
A5BC
|
Ni5SiV
|
V1 Si1 Ni5
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.62051775,
0,
0
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[
0,
3.62053308,
0
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[
0,
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agm005801543
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[
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0
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0,
1.3992504300935475
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[
1.810258875,
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3.154303095
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"V",
"Si",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
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2023-11-16 06:57:59
|
[
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
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[
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0
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0
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[
0,
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]
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|
[
0.771,
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0.027,
0.027,
0.027,
0.027,
0.012
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[
[
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[
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[
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-0.00953046
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[
0,
0,
0.00953046
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[
0,
0,
0
]
] | 0.968232
| 5.698936
|
pbe
| true
|
0a364aa48459ad426e5b5ee4ab9d5f23_123_V1Si1Ni5
|
[
"Ni",
"Si",
"Y"
] | 4
|
A2BC
|
Ni2SiY
|
Y1 Si1 Ni2
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.96796749,
0.00810754,
0
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[
-0.0078803,
2.9679681,
0
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[
0,
0,
6.73128609
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agm004112542
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[
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[
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1.4880378200000002,
5.0484645675
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ni",
"Ni",
"Si",
"Y"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
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0
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[
-0.0446681,
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0
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[
0,
0,
-6.054691
]
] | -24.805844
|
[
0,
0,
0,
0
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[
[
0,
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[
0,
0,
0.00467135
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000638
| 2.393227
|
pbe
| true
|
68d8681222da3fe25e1f292511e4e516_123_Y1Si1Ni2
|
[
"Ni",
"Sn",
"Te"
] | 7
|
A4B2C
|
Ni2SnTe4
|
Ni2 Sn1 Te4
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.10587988,
-0.01564051,
0
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[
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[
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agm2000079200
|
[
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[
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10.897857978088062
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10.913337981684728
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[
2.6421506198098283,
2.167600876539072,
7.528410551178237
]
] |
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ni",
"Ni",
"Sn",
"Te",
"Te",
"Te",
"Te"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
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[
[
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[
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-0.7240436,
0.00783765
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[
-0.03820948,
0.00783778,
-1.2963612
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] | -28.660032
|
[
0,
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0
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[
[
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[
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[
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0.00095159,
0.00123269
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[
0.00226329,
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0.00412617
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] | 0.000028
| 4.856524
|
pbe
| true
|
f93c10a7de534b4d6c8fec2aa566096f_1_Ni2Sn1Te4
|
[
"Ni",
"Sn",
"Ti"
] | 8
|
A6BC
|
NiSnTi6
|
Ti6 Ni1 Sn1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.96657058,
0.50606961,
-0.81319236
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[
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-0.81319236
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[
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4.56596741
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agm003772762
|
[
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[
1.2697439000000001,
1.87685499,
1.469791345
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[
0,
0,
0
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ni",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.125,
0.125,
0.75
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[
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[
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[
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[
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[
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[
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-0.00085696
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000895
| 11.741884
|
pbe
| true
|
5e0dda9c7d5d6bbff06397a9382c9cbe_12_Ti6Ni1Sn1
|
[
"Ni",
"Sr",
"Y"
] | 4
|
A2BC
|
Ni2SrY
|
Sr1 Y1 Ni2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.07306385,
0,
0
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[
0,
4.07306385,
0
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[
0,
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5.7604147
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] |
agm003882310
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[
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[
0,
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2.175621995552912
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[
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5.028294505682765
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ni",
"Ni",
"Sr",
"Y"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-3.1948173,
0,
0
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[
0,
-3.1948173,
0
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[
0,
0,
-3.3570163
]
] | -19.172615
|
[
0,
0,
0,
0
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[
[
0,
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0.00087877
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[
0,
0,
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[
0,
0,
-0.00099054
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[
0,
0,
0.0018269
]
] | 0
| 2.48308
|
pbe
| true
|
29dd98dc71db0c561a763e1b813e98ad_99_Sr1Y1Ni2
|
[
"Ni",
"Tb",
"Tl"
] | 7
|
A4B2C
|
NiTb4Tl2
|
Tb4 Tl2 Ni1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.7001137,
0,
0
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[
0,
9.2269005,
-1.15282976
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[
0,
-5.52329951,
6.66561751
]
] |
agm003444190
|
[
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2.95035904811144,
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5.78585558370615,
1.1904198264148875
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[
0,
0.2641550835986228,
0.3944651963379969
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] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Tb",
"Tb",
"Tb",
"Tb",
"Tl",
"Tl",
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] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
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[
[
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0
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[
0,
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[
0,
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]
] | -30.312402
|
[
0,
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0
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[
[
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[
0,
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[
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0.00280093
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[
0,
0.0006789,
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[
0,
0,
0
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] | -0
| 5.497472
|
pbe
| true
|
4e64bf5b8e70c557ed60b86071e74a5d_10_Tb4Tl2Ni1
|
[
"Ni",
"Tb",
"Zn"
] | 10
|
A7B2C
|
NiTb2Zn7
|
Tb2 Zn7 Ni1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.04586017,
0,
0
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[
0,
4.04586017,
0
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[
0,
0,
10.91627586
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] |
agm003510813
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2.022930085,
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[
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5.45813793
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[
0,
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[
2.022930085,
2.022930085,
5.45813793
],
[
2.022930085,
2.022930085,
0
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Tb",
"Tb",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Ni"
] |
2023-11-16 06:57:59
|
[
0.1,
0.2,
0.7
] |
[
[
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0,
0
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[
0,
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0
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[
0,
0,
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] | -26.849014
|
[
0,
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[
[
0,
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[
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[
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[
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[
0,
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[
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] | -0.000009
| 6.731506
|
pbe
| true
|
4f259cb13b0116979e4729f4c0d763ca_115_Tb2Zn7Ni1
|
[
"Ni",
"Tc",
"V"
] | 8
|
A6BC
|
Ni6TcV
|
V1 Tc1 Ni6
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.71564458,
0.36308416,
0.41069962
],
[
-0.15411496,
4.72709027,
0.41069962
],
[
-0.15411496,
-0.17197565,
4.74178036
]
] |
agm003776188
|
[
[
2.20370733,
2.4590993899999996,
2.7815898
],
[
0,
0,
0
],
[
0.6742878006890558,
2.5603607256782053,
1.0744582788221584
],
[
0.6742878006890558,
0.7524323661899109,
2.6727800456538953
],
[
3.7331268593109446,
2.3578380543217947,
4.488721321177842
],
[
1.9360135891439918,
3.9683104456076,
4.488721321177842
],
[
3.7331268593109446,
4.165766413810089,
2.890399554346105
],
[
2.471401070856009,
0.9498883343924002,
1.0744582788221584
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"V",
"Tc",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] |
2023-11-16 06:57:59
|
[
0.75,
0.125,
0.125
] |
[
[
-8.926988,
0.06721183,
0.07602611
],
[
0.06721183,
-8.912218,
0.08483692
],
[
0.07602611,
0.08483692,
-8.891256
]
] | -50.069241
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00131113,
-0.00127028,
0.00131727
],
[
0.00131113,
0.00146308,
-0.00109919
],
[
-0.00131113,
0.00127028,
-0.00131727
],
[
0.00140588,
-0.00116455,
-0.00131727
],
[
-0.00131113,
-0.00146308,
0.00109919
],
[
-0.00140588,
0.00116455,
0.00131727
]
] | -0.000095
| 7.93158
|
pbe
| true
|
4fd5dc26ed7daec81a1b5f59b21dfb48_166_V1Tc1Ni6
|
[
"Np",
"Os",
"U"
] | 4
|
A2BC
|
Np2OsU
|
Np2 U1 Os1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.51373045,
0,
0
],
[
1.75686522,
3.04297983,
0
],
[
1.75686522,
1.01432661,
7.95133923
]
] |
agm001988618
|
[
[
1.756866995467021,
1.014327634469876,
5.486871808612041
],
[
5.270593894532979,
3.042978805530124,
2.4644674213879587
],
[
0,
0,
0
],
[
3.513730445,
2.02865322,
3.975669615
]
] |
[{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"Np",
"Np",
"Os",
"U"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
6.0196757,
0,
0
],
[
0,
6.0196757,
0
],
[
0,
0,
6.4483333
]
] | -44.193692
|
[
-0.001,
-0.001,
0,
0
] |
[
[
0,
0,
-0.01196571
],
[
0,
0,
0.01196571
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.002169
| 9.170857
|
pbe
| true
|
2874d9670fbad91166ccf98b3e23d5be_166_Np2U1Os1
|
[
"Np",
"P",
"Pd"
] | 9
|
A6B2C
|
NpP2Pd6
|
Np1 P2 Pd6
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.01120301,
0,
0
],
[
0,
4.01120301,
0
],
[
0,
0,
8.92067646
]
] |
agm005821973
|
[
[
0,
0,
0
],
[
2.005601505,
2.005601505,
1.0997620467852454
],
[
2.005601505,
2.005601505,
7.820914413214753
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[
0,
2.005601505,
2.440784323671779
],
[
2.005601505,
0,
2.440784323671779
],
[
0,
2.005601505,
6.47989213632822
],
[
2.005601505,
0,
6.47989213632822
],
[
2.005601505,
2.005601505,
4.46033823
],
[
0,
0,
4.46033823
]
] |
[{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Np",
"P",
"P",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] |
[
[
7.883363,
0,
0
],
[
0,
7.883363,
0
],
[
0,
0,
7.453437
]
] | -58.913517
|
[
3.658,
-0.036,
-0.036,
-0.01,
-0.01,
-0.01,
-0.01,
-0.011,
-0.05
] |
[
[
0,
0,
0
],
[
0,
0,
0.00686649
],
[
0,
0,
-0.00686649
],
[
0,
0,
0.02118318
],
[
0,
0,
0.02118318
],
[
0,
0,
-0.02118318
],
[
0,
0,
-0.02118318
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.67836
| 12.160393
|
pbe
| true
|
9b1c605b2fb8dab2e6ec3ecf74443341_123_Np1P2Pd6
|
[
"Np",
"Pt",
"Sb"
] | 4
|
A2BC
|
NpPt2Sb
|
Np1 Sb1 Pt2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.86157863,
-0.00170729,
0.00118431
],
[
2.43506068,
4.20376386,
0.00129353
],
[
2.42034538,
1.39373519,
3.96780093
]
] |
agm002313391
|
[
[
2.429276198542644,
1.3988724773299588,
0.9925258521286724
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[
7.287821677520484,
4.196808423866906,
2.9777205564368634
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[
4.860688079774106,
2.79811168118172,
1.9854321239730073
],
[
9.71450077547435,
5.595602849605319,
3.9700064348986257
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Np",
"Sb",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
4.751534,
-0.5158716,
-0.34809393
],
[
-0.51587105,
4.8318906,
-0.00037636
],
[
-0.34809467,
-0.00037661,
5.0866475
]
] | -30.872842
|
[
3.525,
0.011,
-0.112,
-0.112
] |
[
[
-0.00011678,
0.0003063,
0.00030456
],
[
-0.00018604,
-0.00016621,
-0.00019396
],
[
0.01524233,
-0.00121561,
0.00434662
],
[
-0.0149395,
0.00107552,
-0.00445722
]
] | 3.500526
| 9.307745
|
pbe
| true
|
f4ed63765f48174edf27eb4f9a4d944d_225_Np1Sb1Pt2
|
[
"Np",
"Te",
"Tl"
] | 12
|
A4BC
|
NpTe4Tl
|
Np2 Tl2 Te8
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.81875241,
0,
0
],
[
0,
6.81875337,
0
],
[
0,
0,
8.76347736
]
] |
agm005823018
|
[
[
3.409376205,
3.409376685,
0
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[
0,
0,
0
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[
3.409376205,
3.409376685,
4.38173868
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[
0,
0,
4.38173868
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[
4.427060614624915,
5.80106881709711,
1.8501094976207975
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[
1.017684409624915,
4.4270612379028895,
1.8501094976207975
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[
5.801068000375085,
2.3916921320971105,
1.8501094976207975
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[
4.427060614624915,
1.0176845529028893,
6.913367862379203
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[
2.391691795375085,
5.80106881709711,
6.913367862379203
],
[
2.391691795375085,
1.0176845529028893,
1.8501094976207975
],
[
5.801068000375085,
4.4270612379028895,
6.913367862379203
],
[
1.017684409624915,
2.3916921320971105,
6.913367862379203
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
|
[
"Np",
"Np",
"Tl",
"Tl",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
[
1.8576443,
0,
0
],
[
0,
1.8576448,
0
],
[
0,
0,
1.820451
]
] | -60.545954
|
[
3.857,
3.857,
-0.003,
-0.003,
-0.02,
-0.02,
-0.02,
-0.02,
-0.02,
-0.02,
-0.02,
-0.02
] |
[
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
-0.00028382,
0.00028382,
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[
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[
0.00028382,
0.00028382,
-0.00426445
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[
-0.00028382,
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0.00426445
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[
0.00028382,
0.00028382,
0.00426445
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[
0.00028382,
-0.00028382,
-0.00426445
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[
0.00028382,
-0.00028382,
0.00426445
],
[
-0.00028382,
0.00028382,
0.00426445
]
] | 8.011107
| 21.152014
|
pbe
| true
|
14659a25af349d138db8e43a9d801c69_125_Np2Tl2Te8
|
[
"Np",
"Y",
"Zr"
] | 4
|
A2BC
|
NpYZr2
|
Y1 Zr2 Np1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.28294775,
0,
0
],
[
1.64147388,
2.84311615,
0
],
[
1.64147388,
0.94770539,
10.75883356
]
] |
agm001936872
|
[
[
0,
0,
0
],
[
3.2829477549999995,
1.89541077,
5.37941678
],
[
1.6414755353489843,
0.9477063421031746,
2.5617926370367425
],
[
4.924419974651015,
2.8431151978968257,
8.197040922963257
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Np",
"Y",
"Zr",
"Zr"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
3.9210248,
0,
0
],
[
0,
3.9210248,
0
],
[
0,
0,
4.0101347
]
] | -35.322721
|
[
3.63,
0.036,
-0.041,
-0.041
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.0115069
],
[
0,
0,
0.0115069
]
] | 3.77229
| 9.22574
|
pbe
| true
|
96eaf4bf9c60b7556ceb304524037193_166_Y1Zr2Np1
|
[
"O",
"P",
"Sb"
] | 68
|
A12B4C
|
O12P4Sb
|
O48 P16 Sb4
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.48822908,
0,
-0.85137451
],
[
0,
8.80793162,
0
],
[
0.00794388,
0,
14.72582438
]
] |
mp-673069
|
[
[
3.4363127256546546,
1.3843603166579561,
1.7540247969977079
],
[
0.31177375434534477,
5.788326126657957,
5.1832001380022925
],
[
7.184399205654656,
3.019605493342044,
8.69124973199771
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[
4.0598602343453445,
7.423571303342043,
12.120425073002291
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[
1.3645549567211388,
2.097482697642885,
13.89120799522108
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[
0.4864921164417588,
2.3955180891378847,
6.262108451328939
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[
5.346233001229041,
4.144246154162428,
11.37959632669844
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[
3.2615943635582414,
6.7994838991378845,
0.6751164836710611
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[
1.5981465212290404,
0.2597196558375724,
4.44237139169844
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[
2.1499399587709593,
4.663685465837572,
2.49485354330156
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[
2.78147340748111,
4.846942058012865,
10.213263409657426
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[
4.714699552518891,
3.9609895619871343,
3.6611864603425732
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[
4.234578596441758,
2.008447720862115,
13.19933338632894
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[
0.9745569525188903,
0.44297624801286556,
11.449785905342575
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6.521616007481109,
8.364955371987135,
2.4246639646574266
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[
5.104697556721138,
2.3064831123571143,
6.10260855022108
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[
6.131618003278861,
6.710448922357115,
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[
7.009680843558241,
6.412413530862115,
7.612341418671061
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[
5.89802643877096,
8.548211964162427,
9.43207847830156
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[
2.391475403278861,
6.501448507642885,
7.771841319778921
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[
0.966186263499984,
5.307811266794496,
3.19195845859912
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[
5.781121151444894,
1.1887051514584537,
9.060091297757952
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[
7.194824630988728,
8.278786672314144,
10.372312345115343
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[
4.350035915681385,
3.3221424425293926,
5.059503376197692
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[
1.7150518085551056,
7.619226468541545,
4.81435857224205
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[
6.699839278627119,
5.246037102615575,
8.51632974741823
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[
3.2199472011260197,
7.6699006130549945,
7.519470466028745
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[
5.463138288555106,
5.592670961458454,
11.75158350724205
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[
2.781900216500016,
0.9038454567944963,
3.7452664764008805
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[
4.569289404466134,
1.8585723968127763,
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[
0.6098933156813845,
1.0818233674706073,
12.848102821197692
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[
2.0330346714448946,
3.2152606585415464,
2.1228663627579505
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[
0.7963336813728815,
3.561894517384425,
5.358120122581771
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[
4.742378778035921,
2.9231739679040625,
2.5535120762612404
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[
2.2338247389268475,
8.44436662652126,
11.512360661123024
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[
2.718693170446386,
2.493482370836378,
13.027396333886603
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[
6.667026155533866,
6.262538206812777,
6.134707576328143
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[
6.886279644318615,
7.726108252529392,
1.0263470488023085
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1.2885983667572112,
1.1082640735593177,
5.766019982709756
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5.036684846757211,
3.295701736440682,
12.703244917709757
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[
4.714272743499984,
7.904086163205504,
10.12918339359912
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[
6.493936781964079,
7.327139777904063,
3.53233834873876
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2.9268835555338657,
6.949359223187223,
13.923307021328144
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[
1.8360558433657548,
1.1345615626798868,
0.26954421385221694
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[
2.753794181964079,
5.884757652095937,
11.32093779373876
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0.00507696
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[
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] | null | 1.738431
|
pbe
| true
|
2ff90e1d3af25ca16abc70e582adf49a_15_Zn12P12O42
|
[
"O",
"Pb",
"Rb"
] | 16
|
A4B3C
|
O3PbRb4
|
Rb8 Pb2 O6
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.49127379,
-1e-8,
0.00000122
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[
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agm006099477
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[
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|
[
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"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb"
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2023-11-16 06:57:59
|
[
0.375,
0.125,
0.5
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[
[
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2.2e-7
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[
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[
-0.00029181,
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| 0
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pbe
| true
|
ed994c7ca8c17abe69ab197b38188d41_9_Rb8Pb2O6
|
[
"O",
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"V"
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|
A2BC
|
OPbV2
|
V2 Pb1 O1
| 3
|
[
1,
1,
1
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|
[
[
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3.25514455
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agm002717935
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Pb",
"O",
"V",
"V"
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2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
[
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[
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[
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] | -20.108091
|
[
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[
[
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[
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[
0,
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[
0,
0,
0
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] | 4.262591
| 2.847829
|
pbe
| true
|
95ff1828dac989c6da7a068c7dff69dd_225_V2Pb1O1
|
[
"O",
"Pd",
"Ru"
] | 4
|
A2BC
|
O2PdRu
|
Ru1 Pd1 O2
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0,
6.4273544
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6.4273544
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agm002775726
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Ru",
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"O",
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2023-11-16 06:57:59
|
[
0.5,
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0.25
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[
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0,
0
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[
0,
45.864418,
0
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[
0,
0,
44.907623
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[
0,
0,
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[
[
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[
0,
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[
0,
0,
0.00043305
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[
0,
0,
0
]
] | -0
| 2.588303
|
pbe
| true
|
44ffadd61df558f478c13043f1ecc6a2_166_Ru1Pd1O2
|
[
"O",
"Pd",
"Sr"
] | 12
|
ABC
|
OPdSr
|
Sr4 Pd4 O4
| 3
|
[
1,
1,
1
] | 3
|
[
[
11.63949779,
0,
0
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[
0,
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[
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agm003131574
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[
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1.7219680879025132
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[
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1.4673874775,
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
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"O",
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2023-11-16 06:57:59
|
[
0.3333333333333333,
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0.3333333333333333
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[
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[
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0
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[
0,
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] | -61.617358
|
[
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0.001,
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0,
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[
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[
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[
0.00274855,
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[
-0.00274855,
0,
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] | -0.000001
| 5.869313
|
pbe
| true
|
a159d9f0296b07cd56769b0f97dcab99_63_Sr4Pd4O4
|
[
"O",
"Pd",
"Zn"
] | 13
|
A6B6C
|
O6PdZn6
|
Zn6 Pd1 O6
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.68382,
0,
0
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[
0,
5.68382,
0
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[
0,
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agm004450761
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[
2.84191,
1.4399957970000001,
0
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[
2.84191,
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0
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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"Zn",
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"Zn",
"Zn",
"Zn",
"Pd",
"O",
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2023-11-16 06:57:59
|
[
0.46153846153846156,
0.07692307692307693,
0.46153846153846156
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[
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0,
0
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[
0,
0.55815125,
0
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[
0,
0,
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] | -56.659514
|
[
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0.193,
0.004,
0.004,
0.004,
0.004,
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0.004
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[
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[
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0,
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[
0,
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0
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[
0,
0.00155406,
0
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] | 0.227121
| 9.33604
|
pbe
| true
|
01b0adc45f90e8a6e6a77eddbfd358ac_200_Zn6Pd1O6
|
[
"O",
"Pu",
"Y"
] | 4
|
A2BC
|
O2PuY
|
Y1 Pu1 O2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.57437027,
0,
0
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[
1.78718513,
3.09549545,
0
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[
1.78718513,
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agm002177112
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[
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3.31382372
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[
5.361555416744155,
3.0954959418443533,
2.2421907232082536
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[
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] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"O",
"O",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
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[
[
0.500722,
0,
0
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[
0,
0.500722,
1.1e-7
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[
0,
1.1e-7,
0.5109996
]
] | -41.444063
|
[
0.036,
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-0.034,
5.149
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[
[
0,
0,
0
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[
0,
0,
-0.00027904
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[
0,
0,
0.00027904
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[
0,
0,
0
]
] | 5.450218
| 8.336806
|
pbe
| true
|
c37789038a9b35e52b37c020471d8766_166_Y1Pu1O2
|
[
"O",
"Rb",
"Sc"
] | 8
|
A2BC
|
O2RbSc
|
Rb2 Sc2 O4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.29947104,
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0.00056752
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agm003126859
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[
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3.6920351595795053,
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0.42416845092043615
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[
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3.4928406822790703,
3.0946160395342437
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] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
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"O",
"O",
"O",
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] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
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[
[
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[
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[
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[
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[
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[
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0.00007896,
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[
0.00000285,
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0.00003294
]
] | -0.000039
| 0
|
pbe
| true
|
13c7b4e20687a2884f3e2b05d93d2ba6_74_Rb2Sc2O4
|
[
"O",
"Rh",
"Sr"
] | 16
|
A5B2C
|
O5Rh2Sr
|
Sr2 Rh4 O10
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.98480042,
0,
0
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[
0,
5.98480042,
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agm003477231
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1.286201009395745
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[
2.082598660316148,
0.9098014898358479,
1.286201009395745
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] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
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"Rh",
"Rh",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
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2023-11-16 06:57:59
|
[
0.625,
0.25,
0.125
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[
[
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[
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[
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[
0.00086964,
0.00086964,
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[
0.00086964,
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-0.00031866
]
] | -0.002295
| 13.449789
|
pbe
| true
|
04a05ae1ff458351236080b01572e361_140_Sr2Rh4O10
|
[
"O",
"Rh",
"Zr"
] | 4
|
A2BC
|
O2RhZr
|
Zr1 Rh1 O2
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0,
5.79887218
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[
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5.79887218
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agm002778315
|
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2.0219147987148838
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"O",
"O",
"Zr"
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2023-11-16 06:57:59
|
[
0.5,
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0.25
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[
[
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[
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39.042416,
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[
0,
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38.280243
]
] | -33.150128
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[
0,
0,
0,
0
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[
[
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0
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[
0,
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[
0,
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0.01092041
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[
0,
0,
0
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| 1.468291
|
pbe
| true
|
f720c05f0e5d36e7ae9e69fbabc14def_166_Zr1Rh1O2
|
[
"O",
"Ru",
"Sc"
] | 4
|
A2BC
|
ORuSc2
|
Sc2 Ru1 O1
| 3
|
[
1,
1,
1
] | 3
|
[
[
1.96888545,
0,
7.48698253
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[
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1.70510481,
7.48698253
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[
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agm002777404
|
[
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Sc",
"Ru",
"O"
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2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
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[
0,
0.9916655,
0
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[
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0,
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] | -31.472104
|
[
0,
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0
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[
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[
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0.01937878
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[
0,
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0
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[
0,
0,
0
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] | -0
| 2.852868
|
pbe
| true
|
d6f8c395faa86f6489cd7821bc013793_166_Sc2Ru1O1
|
[
"O",
"Sc",
"Tl"
] | 4
|
A2BC
|
O2ScTl
|
Sc1 Tl1 O2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.26846868,
0,
0
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[
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6.54849896,
0
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[
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2.80104175
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agm003126896
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Tl",
"O",
"O"
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2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
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[
[
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-0.00146889
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[
-0.00393097,
2.2013795,
0.08198266
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[
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1.6336476
]
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[
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0
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[
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[
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[
0.00024191,
-0.02800038,
-0.00393577
],
[
-0.00024191,
0.02800038,
0.00393577
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| 0
|
pbe
| true
|
85552cf7fdcd418359967b72f56dfdd5_166_Sc1Tl1O2
|
[
"O",
"Sm",
"Y"
] | 10
|
A3BC
|
O3SmY
|
Sm2 Y2 O6
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.9800964,
0,
0
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[
0,
5.9800964,
0
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[
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agm002303088
|
[
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2.120517055
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[
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2.9900481999999995,
2.120517055
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[
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0,
2.120517055
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"O",
"O",
"O",
"O",
"O",
"O",
"Sm",
"Sm"
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2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
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[
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0
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[
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0.68292445,
0
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[
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|
[
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[
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[
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[
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[
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[
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[
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[
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0
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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] | 0
| 0
|
pbe
| true
|
7d72715764e4d5f7e63c983beed8cd9d_140_Sm2Y2O6
|
[
"O",
"Sn",
"Ti"
] | 12
|
A4BC
|
O4SnTi
|
Ti2 Sn2 O8
| 3
|
[
1,
1,
1
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|
[
[
5.41356129,
0.02151349,
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agm005820945
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[
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Ti",
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"O",
"O",
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"O",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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[
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0.00257575
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| 0
|
pbe
| true
|
784449659a903e58746b3650a1612fa5_109_Ti2Sn2O8
|
[
"O",
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|
A8B3C2
|
O8Ta2Zn3
|
O8 Ta2 Zn3
| 3
|
[
1,
1,
1
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|
[
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4.537589,
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oqmd-2026225
|
[
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"Zn"
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2024-11-01 00:00:00
|
[
0.6153846153846154,
0.15384615384615383,
0.2307692307692308
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[
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[
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54.74952,
0
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[
-10.49873,
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73.3567
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[
0,
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0
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[
0.003904,
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0.026221
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] | 0.00829
| null |
pbe
| true
|
edcdd2e167b08685593cd02e8dd93fd4_15_Ta4Zn6O16
|
[
"O",
"Ta",
"Zr"
] | 4
|
A2BC
|
OTaZr2
|
Zr2 Ta1 O1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.88635906,
0,
0
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[
0,
2.88635906,
0
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[
0,
0,
7.87868067
]
] |
agm001117605
|
[
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0
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[
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6.3612961722858
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[
0,
0,
1.517384497714199
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[
1.44317953,
1.44317953,
3.939340335
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"O",
"Zr",
"Zr",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
[
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0,
0
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[
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0.3814663,
0
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[
0,
0,
0.17814344
]
] | -37.160726
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[
0,
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0
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[
[
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0
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[
0,
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0.00171882
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[
0,
0,
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[
0,
0,
0
]
] | -0.000001
| 2.844868
|
pbe
| true
|
244a44b02d5d56e7023f3a69ace4697b_123_Zr2Ta1O1
|
[
"O",
"Th",
"U"
] | 12
|
A4BC
|
O4ThU
|
Th2 U2 O8
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.53796639,
0.00078241,
0.00034977
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5.52056236
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agm002229428
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1.3801384627670383
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[
2.7688441994986803,
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4.1407244155738825
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
"U",
"U",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Th",
"Th"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
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0.16666666666666666
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[
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[
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0.76119363,
0.0967007
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[
0.09605002,
0.09670068,
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]
] | -119.654006
|
[
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-0.026,
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-0.026,
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0.03,
0.03
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[
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[
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0.0002282,
0.000006
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[
0.00026864,
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-0.00007021
]
] | 3.999999
| 21.252632
|
pbe
| true
|
54a1c9b22642ad9e87af9942ce5c6477_141_Th2U2O8
|
[
"O",
"Y",
"Zn"
] | 5
|
A2B2C
|
OY2Zn2
|
Y2 Zn2 O1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.39294115,
0,
0
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[
0,
3.39294115,
0
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[
1.69647057,
1.69647057,
8.13620045
]
] |
agm002938459
|
[
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1.6964705740787391,
1.4991128325534901
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[
3.3929411459212613,
3.3929411459212613,
6.637087617446511
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[
3.3929411474999998,
1.6964705725,
4.068100225
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[
1.6964705725,
3.3929411474999998,
4.068100225
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[
0,
0,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Zn",
"Zn",
"O"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.4
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[
[
2.0202434,
0,
0
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[
0,
2.0202434,
0
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[
0,
0,
-0.8704506
]
] | -23.358817
|
[
0.274,
0.274,
0.002,
0.002,
-0.009
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[
[
0,
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[
0,
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0.0118104
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.841141
| 3.336968
|
pbe
| true
|
640685ec447aeed3f95c11bb98dc5e2d_139_Y2Zn2O1
|
[
"Os",
"Sb",
"Tc"
] | 3
|
ABC
|
OsSbTc
|
Tc1 Sb1 Os1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.42602863,
0,
0
],
[
-2.21301432,
3.83305323,
0
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[
0,
0,
2.94779218
]
] |
agm004216332
|
[
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0.8355190908394892
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[
-2.546347667312801e-8,
2.555368832776844,
1.8287314150311849
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Os",
"Sb",
"Tc"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
[
6.79229,
0,
0
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[
0,
6.79229,
0
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[
0,
0,
5.775105
]
] | -24.161554
|
[
0,
0,
0
] |
[
[
0,
0,
-0.00159364
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[
0,
0,
0.00809725
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[
0,
0,
-0.00650361
]
] | 0.000009
| 2.434701
|
pbe
| true
|
4ebdcfe5ee60780ead405968fa33d316_156_Tc1Sb1Os1
|
[
"Os",
"Sc",
"U"
] | 7
|
A3B3C
|
Os3Sc3U
|
Sc3 U1 Os3
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.25668699,
-0.05222192,
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[
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4.68715971,
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5.56359725
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agm005905640
|
[
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[
1.2790425611913494,
2.310025361783569,
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0.9501780591790301
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1.863652422584925
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[
3.9065134896231455,
2.281977627617712,
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[{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Sc",
"Sc",
"Sc",
"U",
"Os",
"Os",
"Os"
] |
2023-11-16 06:57:59
|
[
0.42857142857142855,
0.42857142857142855,
0.14285714285714285
] |
[
[
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0.25267008,
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[
0.25267008,
6.8432026,
0.1787914
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[
-0.10341801,
0.1787914,
7.206843
]
] | -66.093892
|
[
0.036,
0.036,
0.036,
0.69,
-0.054,
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-0.054
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[
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0.00004548,
0.00135164
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[
0.00191016,
0.00341214,
0.00135164
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[
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[
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[
0.00020504,
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[
0.00207772,
-0.00143162,
0.0014702
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[
0.00145466,
-0.00251484,
-0.00029579
]
] | 0.727938
| 6.640215
|
pbe
| true
|
98d35c53bcd0ce248071e8cd07f38222_166_Sc3U1Os3
|
[
"Os",
"Sc",
"Th"
] | 8
|
A5B2C
|
Os2Sc5Th
|
Th1 Sc5 Os2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.97523985,
0.00056358,
0.95445676
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[
1.71557038,
6.57004662,
1.60631713
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[
0.43014255,
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6.96395801
]
] |
agm005945035
|
[
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3.242602,
4.28513757
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[
2.5341631647918215,
3.1018509810577637,
6.954481749879772
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3.5867896152081786,
3.3839165989422373,
2.570250150120228
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1.001759132697689,
4.488049795385099
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[
2.994289756253023,
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[
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1.4314744802074284,
2.1580720011337076
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[
4.537142481908238,
5.054293099792572,
7.366659898866292
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Th",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Os",
"Os"
] |
2023-11-16 06:57:59
|
[
0.25,
0.625,
0.125
] |
[
[
5.1955614,
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-0.03672812
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[
0.0083719,
5.3621664,
-0.03503742
],
[
-0.03672812,
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5.339656
]
] | -63.238016
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[
0,
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0
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[
[
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0
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[
0,
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[
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[
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0.00025396,
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[
0.00011217,
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[
-0.00011217,
0.00039757,
0.00046692
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] | 0.000004
| 9.212817
|
pbe
| true
|
12df124346563a1e83edbbbab2b92f20_71_Th1Sc5Os2
|
[
"Os",
"Sr",
"Tl"
] | 4
|
A2BC
|
Os2SrTl
|
Sr1 Tl1 Os2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.05288509,
0,
0
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[
0,
3.05288509,
0
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[
0,
0,
8.77977893
]
] |
agm004271260
|
[
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8.536598193557069
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0,
0,
4.633070201442933
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[
1.526442545,
1.526442545,
2.1949447325
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[
1.526442545,
1.526442545,
6.584834197500001
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Os",
"Os",
"Sr",
"Tl"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
7.017551,
0,
0
],
[
0,
7.017551,
0
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[
0,
0,
7.597306
]
] | -21.494807
|
[
0.923,
0.923,
-0.007,
0.003
] |
[
[
0,
0,
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[
0,
0,
0.00733228
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[
0,
0,
0
],
[
0,
0,
0
]
] | 2.000897
| 5.429515
|
pbe
| true
|
50f44472397ecd894bf5d3473209aada_123_Sr1Tl1Os2
|
[
"Os",
"Ta",
"Tc"
] | 4
|
A2BC
|
OsTaTc2
|
Ta1 Tc2 Os1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.81936859,
0.00598532,
0
],
[
-1.60935343,
4.54272286,
0
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[
0,
0,
2.80851961
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] |
agm004326790
|
[
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2023-11-16 06:57:59
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pbe
| true
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fcab5213c674a583813a4c156deea693_65_Ta1Tc2Os1
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[
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PbPtZn
|
Zn1 Pt1 Pb1
| 3
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2023-11-16 06:57:59
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| true
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[
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A6B2C
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OsTe2Y6
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Y6 Te2 Os1
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2023-11-16 06:57:59
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| true
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57be9ef22c6a2351eb9ee378d5b175de_189_Y6Te2Os1
|
[
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A2BC
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PPd2Sr
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Sr1 P1 Pd2
| 3
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agm002721811
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2023-11-16 06:57:59
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pbe
| true
|
60b5d1062cc0bb79359501ed44d811c3_225_Sr1P1Pd2
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[
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ABC
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PPtSc
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P1 Pt1 Sc1
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[
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oqmd-5682942
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2024-11-01 00:00:00
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pbe
| true
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207f4a811464f751f73b60a0f2d5397c_194_Sc2P2Pt2
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[
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A4BC
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PPrS4
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P8 Pr8 S32
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[
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2011-05-24 08:56:11
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a5252d724da8ec4ee99e750203afe8e4_142_Pr8P8S32
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A2B2C
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PPt2Zr2
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Zr4 P2 Pt4
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agm003008407
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2023-11-16 06:57:59
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PRuZn2
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Zn2 P1 Ru1
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2023-11-16 06:57:59
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69467c4304991d4ab2df413c1fcb4024_99_Zn2P1Ru1
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PSSn
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Sn1 P1 S1
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2023-11-16 06:57:59
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| true
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ec8a7bb642df74bef8723bf2245cfe35_6_Sn1P1S1
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A3B3C2
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Sm6 P4 Se6
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2023-11-16 06:57:59
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PaPm2S5
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Pm8 Pa4 S20
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2023-11-16 06:57:59
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ce0e254cc12ea8f8382ebfdfd5cfa388_62_Pm8Pa4S20
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ABC
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PaSU
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U1 Pa1 S1
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2023-11-16 06:57:59
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| true
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[
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A8B3C3
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Pa3Si8Tc3
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Pa3 Si8 Tc3
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2023-11-16 06:57:59
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Pb2Pm7Rh
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2023-11-16 06:57:59
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Ti2 Rh2 Pb1
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2023-11-16 06:57:59
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A4BC
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PbYZr4
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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A4B3C2
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Zn4 Pd6 Pt8
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[
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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-0.00213643,
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| 1.517319
|
pbe
| true
|
75e16876c7021ee4918867666cfe757e_1_Te1Pd1S1
|
[
"Pd",
"Sc",
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] | 9
|
A6B2C
|
PdSc6Tl2
|
Sc6 Tl2 Pd1
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
8.18422338,
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[
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agm003490781
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|
[
"Sc",
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"Sc",
"Sc",
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"Tl",
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2023-11-16 06:57:59
|
[
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[
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| 11.344466
|
pbe
| true
|
1952eac6ae7e5b7bca6b4ba56e6aa301_189_Sc6Tl2Pd1
|
[
"Pd",
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"Sm"
] | 12
|
A6B5C
|
PdSe5Sm6
|
Sm6 Pd1 Se5
| 3
|
[
1,
1,
1
] | 3
|
[
[
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agm006122721
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[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Se",
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"Se",
"Se",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm"
] |
2023-11-16 06:57:59
|
[
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0.5
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[
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[
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[
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| 4.567463
|
pbe
| true
|
4bcaed50fbca1af73ae88839c355edd3_12_Sm6Pd1Se5
|
[
"Pd",
"Sn",
"Tm"
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|
A3B2C
|
Pd3SnTm2
|
Tm2 Sn1 Pd3
| 3
|
[
1,
1,
1
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|
[
[
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agm002307652
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Tm",
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"Pd"
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2023-11-16 06:57:59
|
[
0.5,
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[
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[
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[
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[
[
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| 3.070268
|
pbe
| true
|
c84d118a5466efd6d0e2469ae0522788_166_Tm2Sn1Pd3
|
[
"Pd",
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|
ABC
|
PdSnZr
|
Zr3 Sn3 Pd3
| 3
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
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[
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agm002194431
|
[
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[
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Zr",
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"Pd",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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| 4.600197
|
pbe
| true
|
5d2f5653b23ce6b906f13c48d7758933_189_Zr3Sn3Pd3
|
[
"Pm",
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|
ABC
|
PmPrRu
|
Pr1 Pm1 Ru1
| 3
|
[
1,
1,
1
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|
[
[
3.93171124,
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[
0,
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agm001262037
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[
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[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
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[
"Pr",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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| 2.915851
|
pbe
| true
|
aa9f58193563647470aaaa85f92b1925_156_Pr1Pm1Ru1
|
[
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|
A12B5C3
|
Pm12Re3Tl5
|
Pm48 Tl20 Re12
| 3
|
[
1,
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1
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[
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agm001168185
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2023-11-16 06:57:59
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Pm3 U1 S4
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2023-11-16 06:57:59
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A8B3C2
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Pm8Sb2Te3
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Pm8 Sb2 Te3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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A4B3C2
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Pr2Pt4Tm3
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Pr4 Tm6 Pt8
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2023-11-16 06:57:59
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b48e54fd72c173231f921cd33202655f_14_Pr4Tm6Pt8
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[
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A8B6C
|
Pr8S6Sn
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Pr8 Sn1 S6
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agm006016715
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2023-11-16 06:57:59
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pbe
| true
|
f00f667c2f814dae3cb3354ea9af21b9_147_Pr8Sn1S6
|
[
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A3B2C
|
Pr2ScY3
|
Pr4 Y6 Sc2
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[
1,
1,
1
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agm005581812
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2023-11-16 06:57:59
|
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pbe
| true
|
d3d31e6b806491f9d049002d34e1cad0_15_Pr4Y6Sc2
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[
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A6B3C
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PrSe6Th3
|
Pr2 Th6 Se12
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1
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agm003575369
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2023-11-16 06:57:59
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pbe
| true
|
1ab74de5db18a12fc552cf5126b970f7_11_Pr2Th6Se12
|
[
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ABC
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PrTcW
|
Pr4 Tc4 W4
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[
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agm001052051
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2023-11-16 06:57:59
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0.00136742,
0.00096185,
0.00078236
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0.00348508
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0.00348508
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[
0.00645124,
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[
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0.0040677,
0.00330113
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[
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0.00330113
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[
0.005308,
-0.0040677,
-0.00330113
],
[
0.005308,
-0.0040677,
-0.00330113
]
] | -0.000003
| 9.17775
|
pbe
| true
|
f71fc9693e73a343067daa1a7f56923d_11_Pr4Tc4W4
|
[
"Pt",
"Sb",
"Zn"
] | 4
|
A2BC
|
PtSbZn2
|
Zn2 Sb1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.72759581,
-0.12364913,
0.0732702
],
[
3.24001731,
3.4449585,
0.0732702
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[
0.89105039,
0.37143546,
4.41466386
]
] |
agm003853672
|
[
[
2.2146658775,
0.9231862074999999,
1.140301065
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[
6.6439976325000005,
2.7695586225,
3.420903195
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3.2839484908536316,
0.4455571025527962
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[
4.518958164371714,
1.883733294146368,
1.981585427447204
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Pt",
"Sb",
"Zn",
"Zn"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
3.6775646,
0.05499393,
0.07445975
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[
0.05499393,
3.568562,
0.03103864
],
[
0.0744601,
0.03103879,
3.675878
]
] | -13.279401
|
[
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
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[
0.004074,
0.00169825,
0.00382306
],
[
-0.004074,
-0.00169825,
-0.00382306
]
] | 0
| 0.966062
|
pbe
| true
|
380623e6829f50eff95ed4fd591a8c39_12_Zn2Sb1Pt1
|
[
"Pt",
"Sc",
"Se"
] | 4
|
A2BC
|
Pt2ScSe
|
Sc1 Pt2 Se1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.32430179,
0.00657391,
0.00071885
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[
2.45153489,
4.7263315,
-0.00071885
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[
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2.73705002
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agm003907300
|
[
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[
4.003058886122366,
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2.2029263924999993,
1.3681655849999999
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2.759681745,
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1.368884435
]
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Pt",
"Pt",
"Sc",
"Se"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.7424142,
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0.16109277
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[
-0.03603917,
3.779689,
-0.26467222
],
[
0.16109277,
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3.7168338
]
] | -25.07321
|
[
0,
0,
0,
0
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[
[
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0
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[
0.00146242,
0.00089013,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0
| 1.285876
|
pbe
| true
|
5b50d4aab24042e209d6f5422964f60d_71_Sc1Pt2Se1
|
[
"Pt",
"Si",
"Tl"
] | 4
|
A2BC
|
PtSiTl2
|
Tl2 Si1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.32021416,
-0.0235217,
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[
1.35292079,
5.14537047,
0.02733812
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[
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3.12999141
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agm004291880
|
[
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0.9518187374999998,
2.2139274524999997,
1.578664765
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[
2.9354654225,
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0.0195223363347566,
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[
0.525281497287279,
-0.737037901334757,
3.12999141
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Pt",
"Si",
"Tl",
"Tl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
5.867625,
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[
-0.08532128,
5.9133015,
0.00635519
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[
-0.00487766,
0.00635519,
5.983565
]
] | -14.658854
|
[
0,
0,
0,
0
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[
[
0,
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0
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[
0,
0,
0
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[
0.0068667,
0.00527042,
0
],
[
-0.0068667,
-0.00527042,
0
]
] | 0
| 1.499919
|
pbe
| true
|
783cfefa7308b1f6a0102278c45a7b77_71_Tl2Si1Pt1
|
[
"Pt",
"Si",
"Tm"
] | 12
|
A3B2C
|
Pt3SiTm2
|
Tm4 Si2 Pt6
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.48480879,
0,
0
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[
-2.74240439,
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0
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[
0,
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agm005680280
|
[
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0.7945109936714353,
6.17669409
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[
1.3662709746248445,
3.955472886328565,
2.05889803
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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Tm",
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"Tm",
"Si",
"Si",
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"Pt",
"Pt",
"Pt",
"Pt",
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] |
2023-11-16 06:57:59
|
[
0.5,
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0.3333333333333333
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[
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[
0,
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[
0,
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[
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0
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[
0.00572074,
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0
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[
0.00572074,
0.00330287,
0
]
] | -0.000002
| 3.835196
|
pbe
| true
|
b55df55a511f01e87b7b5cad2909a1b8_194_Tm4Si2Pt6
|
[
"Pt",
"Ti",
"Zn"
] | 6
|
ABC
|
PtTiZn
|
Ti2 Zn2 Pt2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.35394576,
0.01984313,
0.29243099
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[
0.00390038,
2.83011026,
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9.87462955
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agm003607910
|
[
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[
0.5595291995121966,
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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Ti",
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2023-11-16 06:57:59
|
[
0.3333333333333333,
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0.3333333333333333
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[
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[
0.00201972,
5.323211,
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[
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[
0,
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[
[
0.00063072,
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0.00064459,
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[
0.00003993,
0.00077967,
0.00083661
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] | 0.000149
| 4.507247
|
pbe
| true
|
2d732bf17c96c7bb5b94ef532f9be816_25_Ti2Zn2Pt2
|
[
"Pt",
"Tl",
"Tm"
] | 12
|
A4BC
|
PtTlTm4
|
Tm8 Tl2 Pt2
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.88431715,
0,
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[
0,
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[
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agm003738680
|
[
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[
3.36465469,
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3.67700695
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[
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3.492489495,
3.706779905
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] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Tm",
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"Tm",
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"Tl",
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] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
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0.6666666666666666
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[
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[
0.01116941,
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] | -57.744977
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[
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[
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[
0,
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[
0,
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[
0,
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] | -0
| 11.73423
|
pbe
| true
|
82a81f20933db57b4f4e08d411ba9640_14_Tm8Tl2Pt2
|
[
"Pt",
"Tl",
"Zr"
] | 6
|
A4BC
|
PtTlZr4
|
Zr4 Tl1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
4.01930136,
4.01930136
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[
4.01930136,
0,
4.01930136
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[
4.01930136,
4.01930136,
0
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agm005475505
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[
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[
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[
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Zr",
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] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
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[
[
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0,
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[
0,
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0
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[
0,
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] | -41.694096
|
[
0,
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[
[
0.00018181,
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[
0,
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[
0,
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] | 0
| 5.275849
|
pbe
| true
|
3e6de3411a29e510c124d99185a2cd10_216_Zr4Tl1Pt1
|
[
"Pt",
"Tm",
"Zn"
] | 6
|
A3B2C
|
PtTm3Zn2
|
Tm3 Zn2 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.52162523,
0,
0
],
[
0,
3.52162523,
0
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[
0,
0,
10.29254615
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] |
agm003436101
|
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1.6992432749884825
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[
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5.146273075
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] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
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"Zn",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.5,
0.3333333333333333
] |
[
[
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0
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[
0,
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0
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[
0,
0,
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]
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[
0,
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0,
0,
0
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[
[
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[
0,
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[
0,
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[
0,
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[
0,
0,
0.00567534
],
[
0,
0,
0
]
] | -0.000031
| 3.8389
|
pbe
| true
|
3f810373c2244ab6af4eeb5538b9def0_123_Tm3Zn2Pt1
|
[
"Pt",
"Y",
"Zr"
] | 12
|
A3B2C
|
Pt2YZr3
|
Y2 Zr6 Pt4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.76707522,
0,
0
],
[
-2.38353761,
8.28984148,
-0.1401791
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[
0,
-3.91475928,
6.98357149
]
] |
agm003425052
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2.121475454352908,
6.405519747955958
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2.630824643397913
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2.878513227108271
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4.785752204869685,
5.634233866165067
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[
2.3835375861646235,
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1.2091585238349327
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[
2.383539969702234,
4.072954423200371,
1.6769070245086013
],
[
-0.0000023597022338567865,
0.30212777679962854,
5.166485365491399
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.16666666666666666,
0.5
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[
[
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0,
0
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[
0,
4.5045376,
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],
[
0,
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4.6561546
]
] | -96.708142
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
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0,
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0,
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0,
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0,
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0,
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0,
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0,
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0,
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0,
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[
0,
0.00344065,
-0.00721322
],
[
0,
-0.00344065,
0.00721322
]
] | 0.000002
| 9.03147
|
pbe
| true
|
1df58a7b38139e2b16323a8439d3dfb9_12_Y2Zr6Pt4
|
[
"Pu",
"Rh",
"Tb"
] | 7
|
A3B2C2
|
Pu2Rh3Tb2
|
Tb2 Pu2 Rh3
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.18237333,
-0.00467724,
0.00215515
],
[
-2.08434058,
6.70735415,
0.69803257
],
[
0.0007716,
-0.24469162,
5.81266739
]
] |
agm003306036
|
[
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2.093846887095247,
1.7178998954681257,
5.373553960523437
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4.740085394531874,
1.1393011494765624
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2.0985740629929373,
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4.064770818853501
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1.251890132949801,
2.448084291146499
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0,
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2.3012167610176126
],
[
0.004272411809386636,
3.474179785193607,
4.211638348982387
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"Tb",
"Tb",
"Pu",
"Pu",
"Rh",
"Rh",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.42857142857142855,
0.2857142857142857
] |
[
[
5.664813,
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0.01393007
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[
-0.00820717,
5.5783296,
0.08370672
],
[
0.01393055,
0.08370668,
5.4806833
]
] | -63.518529
|
[
0.075,
0.075,
5.187,
5.187,
-0.098,
-0.202,
-0.202
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[
[
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[
0.00006787,
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0.00339256
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0.00116513,
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0.00215068,
0.00122234
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[
0,
0,
0
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[
0.0028975,
0.00442442,
0.00380804
],
[
-0.0028975,
-0.00442442,
-0.00380804
]
] | 10.593609
| 16.15554
|
pbe
| true
|
637c4fe75ffe09d74bec76d8e0931d82_12_Tb2Pu2Rh3
|
[
"Pu",
"Rh",
"Zn"
] | 4
|
A2BC
|
Pu2RhZn
|
Pu2 Zn1 Rh1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.72290305,
0,
0
],
[
0,
3.72290305,
0
],
[
0,
0,
6.01252913
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] |
agm001139216
|
[
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1.861451525,
3.006264565
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1.861451525,
1.861451525,
0
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[
0,
0,
4.573669160516834
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[
0,
0,
1.438859969483165
]
] |
[{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"Rh",
"Pu",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
5.5384774,
0,
0
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[
0,
5.5384774,
0
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[
0,
0,
5.6287537
]
] | -38.233196
|
[
0.039,
-0.268,
5.363,
5.363
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0.00472502
],
[
0,
0,
-0.00472502
]
] | 11.050388
| 15.108883
|
pbe
| true
|
7db6f96a35b76ba341f6767316377d33_123_Pu2Zn1Rh1
|