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2014-02-20 21:04:24
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[]
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28
A16B5C4D3
Li4Mn5O16Sn3
Li4 Mn5 O16 Sn3
4
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mp-771907
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2014-02-18 11:37:08
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[]
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[]
18.582
3.683278
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true
24915c1345a360a59c034827d794657f_1_Li4Mn5Sn3O16
[ "Al", "Ga", "Tb" ]
3
ABC
AlGaTb
Al1 Ga1 Tb1
3
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3
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oqmd-4173717
[ [ 0, 0, 0 ], [ 1.62485, 1.62485, 1.62485 ], [ 4.87456, 4.87456, 4.87456 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
[ "Al", "Ga", "Tb" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.31026, 0, 0 ], [ 0, 3.31026, 0 ], [ 0, 0, 3.31026 ] ]
-12.0018
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.00006
null
pbe
true
05d379706ca1bec61b5bd454ee0b39b3_216_Tb1Al1Ga1
[ "Li", "Mn", "O", "Te" ]
28
A8B3C2D
Li2Mn3O8Te
Li4 Mn6 O16 Te2
4
[ 1, 1, 1 ]
3
[ [ 6.06458084, -0.00079145, 0.00009215 ], [ -3.03297554, 5.25326772, -0.0001843 ], [ 0.00015178, -0.00026337, 9.89478266 ] ]
mp-753235
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-15 03:24:21
[ 0.14285714285714285, 0.21428571428571427, 0.5714285714285714, 0.07142857142857142 ]
[]
-182.94442
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[]
25.196
3.937871
pbe
true
f83eb19031fd0034720fb0a341b62428_186_Li4Mn6Te2O16
[ "Cu", "In" ]
6
A2B
CuIn2
In4 Cu2
2
[ 1, 1, 1 ]
3
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agm002059827
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[ "Cu", "Cu", "In", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.6666666666666666 ]
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-18.778475
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0
1.939259
pbe
true
ec94b6b1d7de679bc26a0f2eb83aef70_1_In4Cu2
[ "Li", "Mn", "O", "Ti" ]
24
A6B3C2D
Li3Mn2O6Ti
Li6 Ti2 Mn4 O12
4
[ 1, 1, 1 ]
3
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agm005266915
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2023-11-16 06:57:59
[ 0.25, 0.16666666666666666, 0.5, 0.08333333333333333 ]
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-167.648232
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18.001268
1.924466
pbe
true
092502abe97ae8744acdc6ea599a2e03_12_Li6Ti2Mn4O12
[ "Mg", "Sb", "Tl" ]
4
A2BC
Mg2SbTl
Mg2 Tl1 Sb1
3
[ 1, 1, 1 ]
3
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agm004172411
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[ "Mg", "Mg", "Sb", "Tl" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-0.000006
1.953838
pbe
true
628cc9f8429a88cbd31f051a2ae59251_139_Mg2Tl1Sb1
[ "Li", "Mn", "O", "Ti" ]
66
A6B2C2D
Li2Mn2O6Ti
Li12 Mn12 O36 Ti6
4
[ 1, 1, 1 ]
3
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mp-761095
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-14 04:59:26
[ 0.18181818181818182, 0.18181818181818182, 0.5454545454545454, 0.09090909090909091 ]
[]
-475.234881
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[]
46.819
2.197969
pbe
true
55a06908c11c53b4d937f87914427a31_14_Li12Ti6Mn12O36
[ "Mg", "Sc", "Th" ]
4
A2BC
Mg2ScTh
Th1 Mg2 Sc1
3
[ 1, 1, 1 ]
3
[ [ 3.82485991, 0, 0 ], [ 0, 5.22146636, 0 ], [ 0, 0, 5.22146636 ] ]
agm001213413
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2023-11-16 06:57:59
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GeNaTi
Na2 Ti2 Ge2
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agm001004308
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2023-11-16 06:57:59
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A16B7C3D2
Li7Mn3O16W2
Li7 Mn3 O16 W2
4
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mp-771313
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2014-02-18 06:21:14
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[]
8.017
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1d63fe89362cdb76df1d43e12b8425c7_8_Li7Mn3W2O16
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64
A8B4C3D
Li4MnO8Y3
Li16 Mn4 O32 Y12
4
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mp-756303
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2020-05-02 00:59:06
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33c5e70e0c701fa041e00d8eb81365d6_21_Li16Y12Mn4O32
[ "Cd", "In", "Sr" ]
4
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Cd2InSr
Sr1 Cd2 In1
3
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agm003949703
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2023-11-16 06:57:59
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A2BC
Cd2InTm
Tm1 Cd2 In1
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agm005649107
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2023-11-16 06:57:59
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1245439e3867726bb8c1a5a51ed42d32_187_Tm1Cd2In1
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9
A6B2C
AlGa2Y6
Y6 Al1 Ga2
3
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3
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agm002252378
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2023-11-16 06:57:59
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3
6.447681
pbe
true
b68eda4b7900a755152d8e4026c8c634_189_Y6Al1Ga2
[ "Cd", "Ir", "Pb" ]
4
A2BC
CdIr2Pb
Cd1 Ir2 Pb1
3
[ 1, 1, 1 ]
3
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agm003839119
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[ "Pb", "Ir", "Ir", "Cd" ]
2023-11-16 06:57:59
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1e0133605f3c05b3785e91b4c1beddec_10_Cd1Ir2Pb1
[ "Cd", "Ir", "Rh" ]
4
A2BC
CdIrRh2
Cd1 Ir1 Rh2
3
[ 1, 1, 1 ]
3
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agm003843866
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[ "Cd", "Ir", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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3.500703
pbe
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5aca9d905baa2305c75a8bc025469f7d_139_Cd1Ir1Rh2
[ "Li", "Mo", "Nd", "O" ]
61
A35B16C9D
LiMo16Nd9O35
Li1 Mo16 Nd9 O35
4
[ 1, 1, 1 ]
3
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mp-866741
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
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2014-09-03 16:18:20
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[]
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[]
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5.492423
pbe
true
b26dace09764a081c96439eea6ded374_12_Li1Nd9Mo16O35
[ "Li", "Mo", "O", "P" ]
24
A8B2CD
LiMoO8P2
Li2 Mo2 P4 O16
4
[ 1, 1, 1 ]
3
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agm005241670
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2023-11-16 06:57:59
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1.993949
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pbe
true
5de5ad3a7365c5d08bf6c29e78407692_14_Li2Mo2P4O16
[ "Cd", "K", "Mg" ]
4
A2BC
CdKMg2
K1 Mg2 Cd1
3
[ 1, 1, 1 ]
3
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agm003999146
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[ "Cd", "K", "Mg", "Mg" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0
1.691382
pbe
true
c6d5bb25aa325c780e315fa1c8297a60_10_K1Mg2Cd1
[ "Cd", "K", "Re" ]
3
ABC
CdKRe
K1 Cd1 Re1
3
[ 1, 1, 1 ]
3
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agm003995320
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[ "Cd", "K", "Re" ]
2023-11-16 06:57:59
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-0
1.562202
pbe
true
d849f0ec36ca571d0433c5ab6416dfeb_42_K1Cd1Re1
[ "Ir", "Np", "Rh" ]
4
A2BC
Ir2NpRh
Np1 Ir2 Rh1
3
[ 1, 1, 1 ]
3
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agm002379875
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[ "Np", "Ir", "Ir", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0.000107
8.61691
pbe
true
a385cfc91f006473558bc735448c3cb9_123_Np1Ir2Rh1
[ "Cd", "K", "Si" ]
4
A2BC
Cd2KSi
K1 Cd2 Si1
3
[ 1, 1, 1 ]
3
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agm004213976
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[ "Cd", "Cd", "K", "Si" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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1.520382
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mp-26637
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2019-06-06 17:42:21
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P" ]
2014-03-05 04:05:13
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-1,013.974897
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null
0.843585
pbe
true
0e4c9e50889e8c66c52981aecd6e313b_14_Li12Mo12P24O96
[ "Cd", "K", "Sn" ]
3
ABC
CdKSn
Cd1 K1 Sn1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.755672, 3.755672 ], [ 3.755672, 0, 3.755672 ], [ 3.755672, 3.755672, 0 ] ]
oqmd-3542742
[ [ 1.8778399999999988, 1.8778399999999988, 1.8778399999999988 ], [ 5.633510000000003, 5.633510000000003, 5.633510000000003 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Cd", "K", "Sn" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.54913, 0, 0 ], [ 0, 4.54913, 0 ], [ 0, 0, 4.54913 ] ]
-5.75417
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
null
null
pbe
true
6c8179aae4711eb743cf1f58cc32ed56_216_K1Cd1Sn1
[ "Li", "Mo", "O", "Rb" ]
64
A5BCD
LiMoO5Rb
Li8 Mo8 O40 Rb8
4
[ 1, 1, 1 ]
3
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mp-1204616
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"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"]}]
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2019-01-12 08:15:54
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12.872
-1.523421
pbe
true
7ab85233042ddecc8e4c82fdba1a9a3e_61_Rb8Li8Mo8O40
[ "Ir", "Np", "Sn" ]
3
ABC
IrNpSn
Np1 Sn1 Ir1
3
[ 1, 1, 1 ]
3
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agm001237197
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[ "Np", "Ir", "Sn" ]
2023-11-16 06:57:59
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-26.419127
[ 3.6, -0.096, 0.027 ]
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3.793706
11.34219
pbe
true
8a398b167ed3d373bb1792df7f6cbc56_216_Np1Sn1Ir1
[ "Mg", "Os", "P" ]
12
ABC
MgOsP
Mg4 P4 Os4
3
[ 1, 1, 1 ]
3
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agm002344630
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "P", "P", "P", "Mg", "Mg", "Mg", "Mg", "Os", "Os", "Os", "Os" ]
2023-11-16 06:57:59
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-78.002099
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-0
4.768936
pbe
true
b98d93455dc7e69da31b423fc72f64f3_62_Mg4P4Os4
[ "Ir", "Pt", "Zr" ]
4
A2BC
IrPt2Zr
Ir1 Pt2 Zr1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.22532335, 3.22532335 ], [ 3.22532335, 0, 3.22532335 ], [ 3.22532335, 3.22532335, 0 ] ]
oqmd-7273411
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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Ir", "Pt", "Pt", "Zr" ]
2024-11-01 00:00:00
[ 0.25, 0.5, 0.25 ]
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-31.4935
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0.005157
null
pbe
true
6197f7801a1ea2fc536c7ef4a20ccb13_216_Zr1Ir1Pt2
[ "Ir", "Pu", "Sm" ]
3
ABC
IrPuSm
Ir1 Pu1 Sm1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.332715462, 3.332715462 ], [ 3.332715462, 0, 3.332715462 ], [ 3.332715462, 3.332715462, 0 ] ]
oqmd-6933283
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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ir", "Pu", "Sm" ]
2024-11-01 00:00:00
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-27.4785
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.70494
null
pbe
true
4124727f908e1cee20d81cc62c428640_216_Sm1Pu1Ir1
[ "Li", "N", "Ni", "O" ]
20
A12B4C3D
Li3N4NiO12
Li3 Ni1 N4 O12
4
[ 1, 1, 1 ]
3
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agm004707743
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Li", "Li", "Li", "Ni", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.2, 0.05, 0.6 ]
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-115.795897
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1.113713
6.055913
pbe
true
ac6a4b7af71075b2c4b19bb07e7fbc54_155_Li3Ni1N4O12
[ "Li", "N", "Ni", "Sr" ]
50
A24B15C10D
Li24N15NiSr10
Li24 N15 Ni1 Sr10
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mp-1218941
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2019-01-12 20:01:39
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6abae5854bef56b78a397bf44c9443a0_65_Sr10Li24Ni1N15
[ "Li", "N", "O", "Pr" ]
92
A15B5C2D
Li2N5O15Pr
Li8 N20 O60 Pr4
4
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mp-555979
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2014-02-14 00:47:47
[ 0.08695652173913043, 0.21739130434782608, 0.6521739130434783, 0.043478260869565216 ]
[]
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[]
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true
b33270ab7708fdde62c2afb393221d6b_58_Li8Pr4N20O60
[ "Li", "N", "O", "Pu" ]
20
A6B2CD
Li2NO6Pu
Li4 Pu2 N2 O12
4
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agm004972621
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[ "Li", "Li", "Li", "Li", "Pu", "Pu", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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6.00052
7.836183
pbe
true
917bebb679f0576a60277272bd4860f7_58_Li4Pu2N2O12
[ "Li", "N", "O", "Ta" ]
27
A16B8C2D
Li16N8OTa2
Li16 N8 O1 Ta2
4
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3
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oqmd-2035642
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"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"]}]
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2024-11-01 00:00:00
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-150.829
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0.006386
null
pbe
true
37c6170102e290d0554315c03d9127f1_148_Li16Ta2N8O1
[ "Li", "N", "O", "Ta" ]
27
A16B8C2D
Li16N8OTa2
Li16 Ta2 N8 O1
4
[ 1, 1, 1 ]
3
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agm003234478
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2023-11-16 06:57:59
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0.000056
0
pbe
true
afc87de132b011071ca678430a77bb80_148_Li16Ta2N8O1
[ "Ir", "Ru", "Sb" ]
4
A2BC
IrRu2Sb
Sb1 Ir1 Ru2
3
[ 1, 1, 1 ]
3
[ [ 2.93115962, 0, 0 ], [ 0, 2.93115962, 0 ], [ 0, 0, 7.3224155 ] ]
agm003822829
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[ "Ir", "Ru", "Ru", "Sb" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-30.396139
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0.00002
4.99439
pbe
true
b33cd98d5a8c5482e53d7a11d50230e4_123_Sb1Ir1Ru2
[ "Al", "Gd", "Pb" ]
4
A2BC
AlGd2Pb
Gd2 Al1 Pb1
3
[ 1, 1, 1 ]
3
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agm002012040
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[ "Pb", "Gd", "Gd", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-35.8158
[ -0.004, 7.047, 7.047, -0.032 ]
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14.26508
3.306025
pbe
true
8c5abb192b27a15b91ce75eedcc8b7e6_166_Gd2Al1Pb1
[ "K", "Li", "Rh" ]
4
A2BC
KLiRh2
K1 Li1 Rh2
3
[ 1, 1, 1 ]
3
[ [ 2.7210875, 0, 0 ], [ 0, 2.7210875, 0 ], [ 0, 0, 9.30337199 ] ]
agm004321136
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[ "K", "Li", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-15.97939
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1.446914
4.507218
pbe
true
c687118ba64b5f629decac632acd98e3_123_K1Li1Rh2
[ "Li", "Na", "Np", "Se" ]
12
A3BCD
LiNaNpSe3
Li1 Na1 Np1 Se3
4
[ 1, 1, 1 ]
3
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oqmd-8972069
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[ "Li", "Li", "Na", "Na", "Np", "Np", "Se", "Se", "Se", "Se", "Se", "Se" ]
2024-11-01 00:00:00
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-66.8525
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5.99971
null
pbe
true
10c51cd74469137641b1750ad97705ca_63_Na2Li2Np2Se6
[ "Li", "Na", "O", "P" ]
128
A8B5C2D
LiNa5O8P2
Na40 Li8 P16 O64
4
[ 1, 1, 1 ]
3
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agm005272696
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2023-11-16 06:57:59
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pbe
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c3d33a5c86584a55b20b46a158180540_62_Na40Li8P16O64
[ "Al", "Gd", "Ru" ]
4
A2BC
Al2GdRu
Gd1 Al2 Ru1
3
[ 1, 1, 1 ]
3
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agm001990810
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[ "Ru", "Gd", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-7.026652
1.782207
pbe
true
6d4fe4e8ce1b742c3fea122ca96b9e1d_225_Gd1Al2Ru1
[ "K", "Mo", "Tc" ]
4
A2BC
KMo2Tc
K1 Tc1 Mo2
3
[ 1, 1, 1 ]
3
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agm003901907
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[ "K", "Mo", "Mo", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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1.448741
4.693778
pbe
true
9e346afd1ba921662641ac60b3ae94ad_123_K1Tc1Mo2
[ "In", "P", "Sc" ]
4
A2BC
InP2Sc
Sc1 In1 P2
3
[ 1, 1, 1 ]
3
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agm003915270
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[ "In", "P", "P", "Sc" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0
1.404254
pbe
true
3fbec861d9db8f41b2bfa29090f89985_47_Sc1In1P2
[ "Al", "Gd", "Si" ]
4
A2BC
AlGdSi2
Gd1 Al1 Si2
3
[ 1, 1, 1 ]
3
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agm001933351
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[ "Si", "Si", "Gd", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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6.984882
2.158024
pbe
true
db9afed0fd71d7ee08ffaa490f5d802c_166_Gd1Al1Si2
[ "K", "Ni", "Sc" ]
4
A2BC
KNiSc2
K1 Sc2 Ni1
3
[ 1, 1, 1 ]
3
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agm002689426
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[ "Sc", "Sc", "Ni", "K" ]
2023-11-16 06:57:59
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pbe
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4b6ae7b7ae6e13725a98eaff62bc71e4_225_K1Sc2Ni1
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4
A2BC
In2PmSm
Pm1 Sm1 In2
3
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3
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agm001209200
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[ "In", "In", "Sm", "Pm" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0.000002
1.786269
pbe
true
3de4687af84fc46dc9e9fc9ae3f1aaec_123_Pm1Sm1In2
[ "Mg", "Os", "Ru" ]
4
A2BC
Mg2OsRu
Mg2 Ru1 Os1
3
[ 1, 1, 1 ]
3
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agm003192725
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[ "Ru", "Mg", "Mg", "Os" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0.000001
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pbe
true
9dedf3580a9e26c3fed474537d8a498d_99_Mg2Ru1Os1
[ "Li", "Na", "O", "Ti" ]
28
A14B5C5D4
Li4Na5O14Ti5
Li4 Na5 O14 Ti5
4
[ 1, 1, 1 ]
3
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mp-775424
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[ "Na", "Na", "Na", "Na", "Na", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-20 22:20:44
[ 0.14285714285714285, 0.17857142857142858, 0.5, 0.17857142857142858 ]
[]
-193.002239
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[]
0.886
5.118824
pbe
true
4e59a96d49e95dfa5b98bcb7a087cf5e_1_Na5Li4Ti5O14
[ "Mg", "Os", "Tb" ]
3
ABC
MgOsTb
Tb1 Mg1 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.41112538, 0, 0 ], [ 0, 3.41112538, 0 ], [ -1.70556269, -1.70556269, 5.4250825 ] ]
agm001849702
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[ "Os", "Mg", "Tb" ]
2023-11-16 06:57:59
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0
1.855064
pbe
true
7c1b9d7150dfb145de41065b6f602cab_107_Tb1Mg1Os1
[ "Li", "Na", "P", "Se" ]
20
A6B2CD
LiNaP2Se6
Na2 Li2 P4 Se12
4
[ 1, 1, 1 ]
3
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agm004979462
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[ "Na", "Na", "Li", "Li", "P", "P", "P", "P", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.2, 0.6 ]
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-0
-0.010131
pbe
true
bdb58cd72a98a80fbc1dd5778baddf1c_15_Na2Li2P4Se12
[ "Mg", "Os", "Tl" ]
3
ABC
MgOsTl
Mg1 Tl1 Os1
3
[ 1, 1, 1 ]
3
[ [ 4.43019037, 0, 0 ], [ 2.21509519, 3.83665741, 0 ], [ 2.21509519, 1.2788858, 3.61723529 ] ]
agm003966526
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[ "Mg", "Os", "Tl" ]
2023-11-16 06:57:59
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-12.010068
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0.001245
3.711807
pbe
true
f4d22964314dc6f0c55d74986102344c_216_Mg1Tl1Os1
[ "Li", "Na", "S", "Ti" ]
36
A8B5C3D2
Li3Na5S8Ti2
Li6 Na10 S16 Ti4
4
[ 1, 1, 1 ]
3
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mp-554395
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]
2014-03-06 01:02:09
[ 0.16666666666666666, 0.2777777777777778, 0.4444444444444444, 0.1111111111111111 ]
[]
-168.943865
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[]
0
2.060155
pbe
true
e16b1e0108d3eb8f5c7f7bbb6520d21e_15_Na10Li6Ti4S16
[ "Al", "Ge", "La" ]
7
A4B2C
AlGe4La2
La2 Al1 Ge4
3
[ 1, 1, 1 ]
3
[ [ 4.87266745, 0, 0 ], [ 0, 4.87266745, 0 ], [ 2.43633372, 2.43633372, 7.57253807 ] ]
agm001075864
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[ "Ge", "Ge", "Ge", "Ge", "Al", "La", "La" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.5714285714285714, 0.2857142857142857 ]
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-0.000001
4.494388
pbe
true
57a9bd4e51a1871fb232e2cd3006e820_139_La2Al1Ge4
[ "Al", "Ge", "Lu" ]
4
A2BC
AlGe2Lu
Al1 Ge2 Lu1
3
[ 1, 1, 1 ]
3
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oqmd-5733818
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[ "Al", "Ge", "Ge", "Lu" ]
2024-11-01 00:00:00
[ 0.25, 0.5, 0.25 ]
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-0.001082
null
pbe
true
979c061a15594fa73bff08c0c636f3bb_216_Lu1Al1Ge2
[ "Be", "Ir", "Ru" ]
4
A2BC
Be2IrRu
Be2 Ru1 Ir1
3
[ 1, 1, 1 ]
3
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agm004370245
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[ "Ru", "Ir", "Be", "Be" ]
2023-11-16 06:57:59
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2.460388
pbe
true
4233c89f8390ab275dae91e83f28e62e_12_Be2Ru1Ir1
[ "Be", "Ir", "Ru" ]
80
A12B5C3
Be3Ir12Ru5
Be12 Ru20 Ir48
3
[ 1, 1, 1 ]
3
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agm001165470
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2023-11-16 06:57:59
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0.003263
101.41983
pbe
true
5da769aa86ef4956e13cb4d4e233d05d_230_Be12Ru20Ir48
[ "Be", "Ir", "Sc" ]
4
A2BC
BeIr2Sc
Sc1 Be1 Ir2
3
[ 1, 1, 1 ]
3
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agm004070499
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[ "Sc", "Be", "Ir", "Ir" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0.000004
3.296984
pbe
true
daee1d150e16101ae8ff3ef22bf124b6_25_Sc1Be1Ir2
[ "Ge", "Li", "Sm" ]
7
A4B2C
Ge4Li2Sm
Li2 Sm1 Ge4
3
[ 1, 1, 1 ]
3
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agm006074401
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[ "Li", "Li", "Sm", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
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-29.770934
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0
1.676319
pbe
true
3d96961ae64fc7218a8bdc2fa6eea0e7_139_Li2Sm1Ge4
[ "Cu", "In" ]
9
A5B4
Cu5In4
In4 Cu5
2
[ 1, 1, 1 ]
3
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agm005504594
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "In", "In", "In", "In", "Cu", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
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0
3.034008
pbe
true
060eb829c85679680bba1ceacffdf4bd_139_In4Cu5
[ "Li", "Nb", "O", "P" ]
36
A12B4CD
LiNbO12P4
Li2 Nb2 O24 P8
4
[ 1, 1, 1 ]
3
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mp-757788
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[ "Li", "Li", "Nb", "Nb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-05 14:51:57
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[]
-261.331855
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[]
3.497
4.40492
pbe
true
8a64a91f938564c4e61b677bc40fd102_4_Li2Nb2P8O24
[ "Cu", "Ir" ]
4
A3B
Cu3Ir
Cu3 Ir1
2
[ 1, 1, 1 ]
3
[ [ 2.64642535, 0, 0 ], [ -1.32321268, 2.29187159, 0 ], [ 0, 0, 8.51769572 ] ]
agm003163970
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[ "Ir", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
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-20.806023
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-0.000062
4.234734
pbe
true
276d1ae3dfd7887487eeefff87fcb10b_187_Cu3Ir1
[ "Be", "Ir", "Sn" ]
4
A2BC
BeIr2Sn
Be1 Ir2 Sn1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.119353, 3.119353 ], [ 3.119353, 0, 3.119353 ], [ 3.119353, 3.119353, 0 ] ]
oqmd-2328298
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[ "Be", "Ir", "Ir", "Sn" ]
2024-11-01 00:00:00
[ 0.25, 0.5, 0.25 ]
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-24.3634
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0.300371
null
pbe
true
1f17b09bb44c76b56503de7d286f5f4b_216_Be1Sn1Ir2
[ "K", "Ru", "W" ]
4
A2BC
KRuW2
K1 Ru1 W2
3
[ 1, 1, 1 ]
3
[ [ 4.90566594, 0, 0 ], [ 0, 3.84774854, 0 ], [ 0, 0, 3.84774854 ] ]
agm004254025
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[ "K", "Ru", "W", "W" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 5.3927984, 0, 0 ], [ 0, 5.5413604, 0 ], [ 0, 0, 5.5413604 ] ]
-28.860709
[ 0.015, 0.493, -0.029, -0.029 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.466079
4.465606
pbe
true
b698cdfd493209fe82d7dd937543d35a_123_K1Ru1W2
[ "Li", "Nb", "O", "Te" ]
80
A12B3C3D2
Li3Nb2O12Te3
Li3 Nb2 O12 Te3
4
[ 1, 1, 1 ]
3
[ [ 6.150825, 6.150825, 6.150825 ], [ -6.150825, 6.150825, -6.150825 ], [ -6.150825, -6.150825, 6.150825 ] ]
oqmd-1952302
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2.350063526036148e-16, 9.226240000000004 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.15, 0.1, 0.6, 0.15 ]
[ [ 20.24806, 0, 0 ], [ 0, 20.24806, 0 ], [ 0, 0, 20.24806 ] ]
-507.134
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0.001099
null
pbe
true
e3097282636e2794b80bcd6fe2cbdf42_230_Li12Nb8Te12O48
[ "Li", "Nb", "O", "Ti" ]
50
A30B12C7D
Li7NbO30Ti12
Li7 Nb1 O30 Ti12
4
[ 1, 1, 1 ]
3
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mp-767146
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2014-02-16 10:36:45
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[]
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[]
0
1.721153
pbe
true
de60008ddbb294f337ca2a4ab864985d_146_Li7Ti12Nb1O30
[ "Li", "Nb", "O", "Ti" ]
73
A42B15C11D5
Li15Nb5O42Ti11
Li15 Nb5 O42 Ti11
4
[ 1, 1, 1 ]
3
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mp-767393
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2014-02-16 11:42:06
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[]
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[]
0
1.814019
pbe
true
799f229b102f5d5b5859eb9cf678e4fb_143_Li15Ti11Nb5O42
[ "La", "Li", "Y" ]
4
A2BC
LaLiY2
Li1 La1 Y2
3
[ 1, 1, 1 ]
3
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agm003820182
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[ "La", "Li", "Y", "Y" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0.012097
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true
64b24c1b15f9eb7223da77ba512e409d_123_Li1La1Y2
[ "K", "O", "Pd" ]
12
A3B2C
KO3Pd2
K2 Pd4 O6
3
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3
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2023-11-16 06:57:59
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true
b4bf60dd08b59ddc5a9b24ab7f088021_166_K2Pd4O6
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ABC
LaOsTe
La1 Te1 Os1
3
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[ "La", "Os", "Te" ]
2023-11-16 06:57:59
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true
af3cfe993e7833917685db625db274eb_216_La1Te1Os1
[ "Mg", "Os", "Tl" ]
4
A2BC
Mg2OsTl
Mg2 Os1 Tl1
3
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3
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oqmd-3330258
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2024-11-01 00:00:00
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true
bd296c8c8ad37a539da1231ac7a9465d_216_Mg2Tl1Os1
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5
A2BCD
LiNdNiSn2
Li1 Nd1 Ni1 Sn2
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[ "Li", "Nd", "Ni", "Sn", "Sn" ]
2023-11-16 06:57:59
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ad08892f7d76ef7270b938cb3beeb294_230_Li12Nd12Se8O48
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2013-11-18 07:28:46
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Li3Nd3O12Te2
Li3 Nd3 O12 Te2
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oqmd-1923658
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2024-11-01 00:00:00
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3adfa762c7401ee48f574abc847bad05_230_Li12Nd12Te8O48
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3
ABC
LaPdTe
La1 Te1 Pd1
3
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3
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agm001848108
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[ "Te", "Pd", "La" ]
2023-11-16 06:57:59
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68924357cecc2de178eec930ca8f563d_107_La1Te1Pd1
[ "Mg", "Os", "Zn" ]
4
A2BC
MgOs2Zn
Mg1 Zn1 Os2
3
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3
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agm004115126
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[ "Mg", "Os", "Os", "Zn" ]
2023-11-16 06:57:59
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0.000001
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pbe
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3c300b0ccad2b994ef8566154d2bd706_123_Mg1Zn1Os2
[ "La", "Pm", "Pr" ]
12
A3B2C
La3PmPr2
La6 Pm2 Pr4
3
[ 1, 1, 1 ]
3
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agm003408729
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[ "La", "La", "La", "La", "La", "La", "Pm", "Pm", "Pr", "Pr", "Pr", "Pr" ]
2023-11-16 06:57:59
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0.000163
22.454124
pbe
true
fc4f40b8192ef5d2586c9dd1b99ce753_58_La6Pm2Pr4
[ "Mg", "Pb", "Sr" ]
12
ABC
MgPbSr
Mg4 Pb4 Sr4
3
[ 1, 1, 1 ]
3
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mp-1103314
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[ "Sr", "Sr", "Sr", "Sr", "Mg", "Mg", "Mg", "Mg", "Pb", "Pb", "Pb", "Pb" ]
2018-07-18 18:04:47
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0
4.294365
pbe
true
3de582c6a0152fc70a802f5b0871a40c_62_Sr4Mg4Pb4
[ "K", "Os", "P" ]
4
A2BC
KOsP2
K1 P2 Os1
3
[ 1, 1, 1 ]
3
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agm004196683
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[ "K", "Os", "P", "P" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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pbe
true
c325ebf43390c8f227000d53968bc581_99_K1P2Os1
[ "La", "Pu", "Tm" ]
3
ABC
LaPuTm
La1 Tm1 Pu1
3
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3
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agm001844569
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[ "Tm", "Pu", "La" ]
2023-11-16 06:57:59
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7.184101
pbe
true
db09cb277dea8c2cf3478cc6cbec02d2_107_La1Tm1Pu1
[ "Mg", "Pd", "Sn" ]
12
ABC
MgPdSn
Mg4 Sn4 Pd4
3
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3
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agm002285941
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[ "Mg", "Mg", "Mg", "Mg", "Sn", "Sn", "Sn", "Sn", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
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0
5.009791
pbe
true
2f860c1c4ff41263f97b26862c513363_62_Mg4Sn4Pd4
[ "Mg", "Pm", "Pt" ]
11
A4B4C3
Mg4Pm3Pt4
Mg4 Pm3 Pt4
3
[ 1, 1, 1 ]
3
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oqmd-9432973
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[ "Mg", "Mg", "Mg", "Mg", "Pm", "Pm", "Pm", "Pt", "Pt", "Pt", "Pt" ]
2024-11-01 00:00:00
[ 0.3636363636363637, 0.2727272727272727, 0.3636363636363637 ]
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-54.4249
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-0.001425
null
pbe
true
f41bdb95fa6861340c1b9f0d2a43c9a4_71_Pm3Mg4Pt4
[ "Mg", "Pm", "Rb" ]
4
A2BC
MgPmRb2
Rb2 Pm1 Mg1
3
[ 1, 1, 1 ]
3
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agm002221001
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[ "Mg", "Rb", "Rb", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-5.415807
[ 0.002, 0.023, 0.023, 0.577 ]
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1.736227
7.168626
pbe
true
8fc75394a98261a8b1527115c2bfa90e_225_Rb2Pm1Mg1
[ "Cd", "Hg", "Sb" ]
4
A2BC
CdHg2Sb
Cd1 Hg2 Sb1
3
[ 1, 1, 1 ]
3
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agm003174314
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Hg", "Hg", "Cd" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-5.41881
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0
1.554668
pbe
true
dd7a75d6d2da190fa614ac9e560f9237_65_Cd1Hg2Sb1
[ "La", "Sb", "U" ]
3
ABC
LaSbU
La1 Sb1 U1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.684607, 3.684607 ], [ 3.684607, 0, 3.684607 ], [ 3.684607, 3.684607, 0 ] ]
oqmd-3766698
[ [ 1.842309999999999, 1.842309999999999, 1.842309999999999 ], [ 5.526919999999996, 5.526919999999996, 5.526919999999996 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "La", "Sb", "U" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-19.0567
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.87601
null
pbe
true
344fe9731ae05b4d31dd6cd60b1b5cc6_216_La1U1Sb1
[ "Li", "Ni", "O", "P" ]
27
A16B5C4D2
Li2Ni5O16P4
Li2 Ni5 O16 P4
4
[ 1, 1, 1 ]
3
[ [ 7.72157521, -0.02792549, -1.34469373 ], [ -2.82090373, 7.35559526, -0.37848039 ], [ 0.14145775, -0.05275596, 5.19428959 ] ]
mp-26921
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2019-11-05 10:30:09
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-177.135527
[]
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null
null
pbe
true
3d5579934ba01d985d88b33f58b762b4_2_Li2Ni5P4O16
[ "Li", "Ni", "O", "P" ]
28
A9B3CD
LiNiO9P3
Li2 Ni2 O18 P6
4
[ 1, 1, 1 ]
3
[ [ 6.45387202, -0.00012021, -0.24639678 ], [ 0.13257494, 7.19850749, -1.14009816 ], [ 0.0069635, -0.01043207, 6.80258314 ] ]
mp-540447
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-03 19:37:04
[ 0.07142857142857142, 0.07142857142857142, 0.6428571428571429, 0.21428571428571427 ]
[]
-187.678722
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[]
3.922
1.643268
pbe
true
905b550a3cfe7ff113cc1f1bf8ecdf02_2_Li2Ni2P6O18
[ "Li", "Ni", "O", "P" ]
29
A18B6C4D
Li4NiO18P6
Li4 Ni1 O18 P6
4
[ 1, 1, 1 ]
3
[ [ 7.59349274, 0.36932964, 0.03057174 ], [ 0.99903829, 3.77235742, 6.17626304 ], [ -1.87810311, -3.69482033, 6.2116862 ] ]
mp-859119
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
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2014-10-23 23:05:22
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mp-867606
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2014-10-23 15:10:38
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mp-867629
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2014-10-23 20:20:49
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mp-32314
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2014-05-02 23:20:26
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mp-705295
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2013-12-14 20:19:49
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mp-765458
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2014-02-15 19:04:39
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mp-859103
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2014-10-23 22:08:46
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