elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1 value | cross_compatibility bool 1 class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Gd",
"Ge",
"Pd"
] | 8 | A2BC | GdGePd2 | Gd2 Ge2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
4.4131671,
0,
0
],
[
-2.20658355,
3.82191482,
0
],
[
0,
0,
9.14130945
]
] | agm002278768 | [
[
0,
0,
0
],
[
0,
0,
4.570654725
],
[
-2.2065835531715487e-8,
2.5479432260730492,
2.2853273625
],
[
2.2065835720658358,
1.2739715939269505,
6.855982087499999
],
[
2.2065835720658358,
1.2739715939269505,
0.727770542940441
],
[
-2.2065835531715487e-8,
2.5479432260730492,
5.29842526794044
],
[
2.2065835720658358,
1.2739715939269505,
3.8428841820595587
],
[
-2.2065835531715487e-8,
2.5479432260730492,
8.413538907059559
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Ge",
"Ge",
"Gd",
"Gd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.28008,
0,
0
],
[
0,
5.28008,
0
],
[
0,
0,
5.142038
]
] | -64.638381 | [
0.013,
0.014,
-6.989,
-6.989,
0.003,
0.006,
0.006,
0.003
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00027631
],
[
0,
0,
-0.00027631
],
[
0,
0,
0.00027631
],
[
0,
0,
0.00027631
]
] | -14.177586 | 5.443198 | pbe | true | 4ee199528e59f9139b854d85798a5e1a_194_Gd2Ge2Pd4 |
[
"Gd",
"H",
"Si"
] | 5 | A3BC | Gd3HSi | Gd3 Si1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
4.71664015,
0,
0
],
[
0,
4.71664015,
0
],
[
0,
0,
4.71664015
]
] | agm001163126 | [
[
0,
0,
0
],
[
2.358320075,
2.358320075,
2.358320075
],
[
0,
2.358320075,
0
],
[
0,
0,
2.358320075
],
[
2.358320075,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"H",
"Si",
"Gd",
"Gd",
"Gd"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.7751715,
0,
0
],
[
0,
3.7751715,
0
],
[
0,
0,
3.7751715
]
] | -52.855901 | [
-0.018,
-0.054,
7.334,
7.334,
7.334
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 22.770351 | 5.870471 | pbe | true | 35f12f399056cdc87590c7a0a17e0dcd_221_Gd3Si1H1 |
[
"Gd",
"H",
"Tb"
] | 4 | A2BC | GdH2Tb | Tb1 Gd1 H2 | 3 | [
1,
1,
1
] | 3 | [
[
3.50922962,
0,
0
],
[
1.75461481,
3.039082,
0
],
[
1.75461481,
1.01302733,
5.71266425
]
] | agm001946966 | [
[
5.26384267538519,
3.039080984458931,
4.308038191695048
],
[
1.75461656461481,
1.013028345541069,
1.4046260583049526
],
[
3.50922962,
2.026054665,
2.856332125
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}] | [
"H",
"H",
"Gd",
"Tb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.2639008,
0,
0
],
[
0,
6.2639008,
0
],
[
0,
0,
6.122835
]
] | -26.964865 | [
-0.008,
-0.008,
7.086,
-0.005
] | [
[
0,
0,
-0.00048085
],
[
0,
0,
0.00048085
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.225218 | 2.133555 | pbe | true | 07a302a2d3b9cd93b4ca798e78abed7f_166_Tb1Gd1H2 |
[
"Gd",
"I",
"Pm"
] | 3 | ABC | GdIPm | Pm1 Gd1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
3.90300714,
0,
0
],
[
-1.95150357,
3.38010334,
0
],
[
0,
0,
7.67991865
]
] | agm001279255 | [
[
1.9515035895150359,
1.126701102066322,
2.5723822238866476
],
[
-1.9515035805717785e-8,
2.2534022379336776,
5.038271163009816
],
[
0,
0,
0.06926526310353649
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"Gd",
"Pm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.9693624,
0,
0
],
[
0,
0.9693624,
0
],
[
0,
0,
0.93579936
]
] | -22.046429 | [
-0.008,
7.164,
0.064
] | [
[
0,
0,
-0.00162289
],
[
0,
0,
0.00129824
],
[
0,
0,
0.00032464
]
] | 7.590253 | 3.665752 | pbe | true | dd1063de42a9232700f40dc4e030c994_156_Pm1Gd1I1 |
[
"Gd",
"Ir",
"Zr"
] | 4 | A2BC | GdIrZr2 | Gd1 Zr2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.87326612,
0,
0
],
[
2.43663306,
4.22037226,
0
],
[
2.43663306,
1.40679075,
3.97946595
]
] | agm001959530 | [
[
4.87326612,
2.813581505,
1.989732975
],
[
0,
0,
0
],
[
2.4366354966330603,
1.406792159290519,
0.9951463633402635
],
[
7.30989674336694,
4.2203708507094815,
2.9843195866597365
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Gd",
"Ir",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.246224,
0,
0
],
[
0,
4.246224,
0
],
[
0,
0,
4.092419
]
] | -40.931002 | [
7.257,
-0.045,
0.135,
0.135
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00224481
],
[
0,
0,
0.00224481
]
] | 7.701523 | 5.466199 | pbe | true | 91ac8ffd3cd5659b05632ba35c9b4981_225_Gd1Zr2Ir1 |
[
"Gd",
"Li",
"Lu"
] | 3 | ABC | GdLiLu | Li1 Gd1 Lu1 | 3 | [
1,
1,
1
] | 3 | [
[
3.43985273,
0,
0
],
[
-1.71992637,
2.97899985,
0
],
[
0,
0,
8.29147417
]
] | agm001270246 | [
[
-2.0532597102520365e-8,
1.9859999099299996,
5.523384339991867
],
[
1.7199263805325973,
0.9929999400700005,
2.7304807810646565
],
[
0,
0,
0.037609048943477906
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Gd",
"Lu",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.67621106,
0,
0
],
[
0,
0.67621106,
0
],
[
0,
0,
1.2790439
]
] | -20.139557 | [
-7.171,
-0.009,
-0.002
] | [
[
0,
0,
-0.0011789
],
[
0,
0,
0.00273829
],
[
0,
0,
-0.00155939
]
] | -7.40356 | 3.911165 | pbe | true | fdbecbeb79fe934d8c5ffadbc1b333db_156_Li1Gd1Lu1 |
[
"Gd",
"Rh",
"Si"
] | 6 | ABC | GdRhSi | Gd2 Si2 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.13585653,
0,
0
],
[
-2.06792826,
3.58175682,
0
],
[
0,
0,
8.08320903
]
] | agm002317682 | [
[
-1.7345949334639592e-8,
2.3878378919391894,
6.038387031874814
],
[
2.0679282873459495,
1.1939189280608105,
1.9967825168748132
],
[
0,
0,
4.017693978528809
],
[
0,
0,
8.059298493528809
],
[
2.0679282873459495,
1.1939189280608105,
6.03897039707051
],
[
-1.7345949334639592e-8,
2.3878378919391894,
1.9973658820705085
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Si",
"Gd",
"Gd",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.5868223,
0,
0
],
[
0,
2.5868223,
0
],
[
0,
0,
7.7068057
]
] | -59.313411 | [
0.001,
0.001,
6.996,
6.991,
0.041,
0.041
] | [
[
0,
0,
0.00068967
],
[
0,
0,
0.00068967
],
[
0,
0,
0.0006728
],
[
0,
0,
0.0006728
],
[
0,
0,
-0.00136247
],
[
0,
0,
-0.00136247
]
] | 14.427462 | 6.596512 | pbe | true | 576740829c870e207a98da088e8f4008_194_Gd2Si2Rh2 |
[
"Gd",
"Sm",
"Tc"
] | 5 | A3BC | Gd3SmTc | Sm1 Gd3 Tc1 | 3 | [
1,
1,
1
] | 3 | [
[
5.4128055,
0,
0
],
[
0,
5.4128055,
0
],
[
0,
0,
5.4128055
]
] | agm001110766 | [
[
0,
2.70640275,
0
],
[
0,
0,
2.70640275
],
[
2.70640275,
0,
0
],
[
0,
0,
0
],
[
2.70640275,
2.70640275,
2.70640275
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Gd",
"Gd",
"Gd",
"Tc",
"Sm"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.4418426,
0,
0
],
[
0,
2.4418426,
0
],
[
0,
0,
2.4418426
]
] | -56.783619 | [
7.084,
7.084,
7.084,
-0.34,
0.202
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 22.02673 | 5.906311 | pbe | true | a45b4ea196631f3d11e2c2aaf8c8b93f_221_Sm1Gd3Tc1 |
[
"Ge",
"H",
"Lu"
] | 4 | A2BC | GeHLu2 | Lu2 Ge1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
4.31904816,
0,
0
],
[
2.15952408,
3.74040543,
0
],
[
2.15952408,
1.24680181,
6.63496845
]
] | agm001924670 | [
[
0,
0,
0
],
[
4.31904816,
2.49360362,
3.317484225
],
[
2.159526261119321,
1.2468030692698282,
4.60230074755704
],
[
6.47857005888068,
3.740404170730172,
2.03266770244296
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"H",
"Ge",
"Lu",
"Lu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.195784,
0,
0
],
[
0,
2.195784,
0
],
[
0,
0,
1.4757572
]
] | -18.306511 | [
0,
-0.001,
-0.002,
-0.002
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00472328
],
[
0,
0,
-0.00472328
]
] | -0.010088 | 3.375776 | pbe | true | 559a260119faefa5863356ec79739b03_166_Lu2Ge1H1 |
[
"Ge",
"H",
"Pd"
] | 5 | A3BC | Ge3HPd | Ge3 H1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.85198354,
0,
0
],
[
0,
4.85198354,
0
],
[
0,
0,
4.85198354
]
] | agm002491224 | [
[
2.42599177,
2.42599177,
2.42599177
],
[
0,
2.42599177,
0
],
[
0,
0,
2.42599177
],
[
2.42599177,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"H",
"Ge",
"Ge",
"Ge",
"Pd"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
5.534117,
0,
0
],
[
0,
5.534117,
0
],
[
0,
0,
5.534117
]
] | -18.446543 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.390072 | pbe | true | 743e8fd1d8784a0118a1cb4d900dbd33_221_Ge3H1Pd1 |
[
"Ge",
"H",
"Sm"
] | 6 | ABC | GeHSm | Sm2 Ge2 H2 | 3 | [
1,
1,
1
] | 3 | [
[
3.97793759,
0.0000124,
-1.20113509
],
[
0.00023004,
4.04263143,
0.0005397
],
[
-0.2783041,
-0.00068776,
6.27479775
]
] | agm005702031 | [
[
0.7691493337987809,
0.4661557656754514,
5.887060913575883
],
[
3.7386675701800987,
2.4877790084658287,
1.3303981446353574
],
[
2.4705506801837376,
2.4877747031456705,
4.339805996577917
],
[
2.0371988964835714,
0.4664996525126898,
2.877667251466903
],
[
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[
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[
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1
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] | 0.000006 | 6.124212 | pbe | true | 7ffcdd23ee3ff3b444779acac7d73d69_12_Sr4In4Ge6 |
[
"Ge",
"Ir",
"La"
] | 20 | A5B3C2 | Ge5Ir3La2 | La4 Ge10 Ir6 | 3 | [
1,
1,
1
] | 3 | [
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] | 0 | 9.57699 | pbe | true | 14a4b0e4b7cd2314d004eace660b03f5_72_La4Ge10Ir6 |
[
"Ge",
"Ir",
"Sm"
] | 17 | A12B4C | Ge12Ir4Sm | Sm1 Ge12 Ir4 | 3 | [
1,
1,
1
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"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ir",
"Ir",
"Ir",
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 10.237881 | pbe | true | f26cfdc8754e506b05088edd7264163b_204_Sm1Ge12Ir4 |
[
"Ge",
"Ir",
"Sr"
] | 5 | A3BC | Ge3IrSr | Sr1 Ge3 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.3238006,
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"Sr",
"Ge",
"Ge",
"Ge",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
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]
] | 0.369025 | 5.723637 | pbe | true | 03e03afb3023a50aa312938b670453c2_221_Sr1Ge3Ir1 |
[
"Ge",
"Ir",
"Ti"
] | 12 | A4BC | GeIrTi4 | Ti8 Ge2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
6.04808053,
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0.04922159
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
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"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ge",
"Ge",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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] | -94.195427 | [
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[
0,
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[
0,
0,
0
]
] | 0.000021 | 12.373074 | pbe | true | 5ddf3ee45feb670585a08712642f2445_123_Ti8Ge2Ir2 |
[
"Ge",
"Ir",
"U"
] | 4 | A2BC | GeIrU2 | U2 Ge1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65536338,
0.18894406,
0.58872064
],
[
2.6972881,
4.40934811,
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[
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3.89686099
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] | agm002214923 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ge",
"Ir",
"U",
"U"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
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[
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] | -37.117828 | [
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0.4,
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[
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[
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0.0042494
]
] | 0.798221 | 6.286069 | pbe | true | 0d908ccd1cdf52fedea73e87b7adc68b_71_U2Ge1Ir1 |
[
"Ge",
"K",
"Ni"
] | 10 | A2B2C | Ge2KNi2 | K2 Ni4 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | agm002986206 | [
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"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge",
"Ge",
"Ge",
"K",
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] | 2023-11-16 06:57:59 | [
0.4,
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[
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[
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] | -43.002306 | [
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[
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[
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[
0,
0,
0
]
] | -0 | 8.152057 | pbe | true | 3abb37e59b6f8e18ac180edfc249cd31_127_K2Ni4Ge4 |
[
"Ge",
"K",
"Rb"
] | 5 | A2B2C | Ge2K2Rb | K2 Rb1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
5.77596272,
0,
0
],
[
0,
5.77596272,
0
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[
2.88798136,
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] | agm002926886 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Ge",
"Ge",
"K",
"K",
"Rb"
] | 2023-11-16 06:57:59 | [
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[
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0,
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[
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] | 0.954091 | 2.395422 | pbe | true | 75ec2e91041e4791060eaac1a6144267_139_K2Rb1Ge2 |
[
"Ge",
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1,
1,
1
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"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | -0 | 0 | pbe | true | ee0ee4c4b44a07efab5cadd5156d73bc_64_K8Ge4S12 |
[
"Ge",
"La",
"Os"
] | 6 | ABC | GeLaOs | La2 Ge2 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
4.46741519,
0,
0
],
[
0,
4.49918606,
0
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[
0,
0,
6.8644448
]
] | agm002068033 | [
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0,
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2.233707595,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"La",
"La",
"Ge",
"Ge",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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]
] | -43.659254 | [
0,
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[
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[
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0,
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[
0,
0.00244868,
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]
] | -0.000002 | 4.605749 | pbe | true | 13ffb81f5be23978af8107c943359f6e_26_La2Ge2Os2 |
[
"Ge",
"La",
"Pb"
] | 5 | A3BC | Ge3LaPb | La1 Ge3 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.61954777,
0,
0
],
[
0,
5.61954777,
0
],
[
0,
0,
5.61954777
]
] | agm002483113 | [
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2.809773885
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[
0,
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0
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[
0,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Pb",
"Ge",
"Ge",
"Ge",
"La"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.8208064,
0,
0
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[
0,
0.8208064,
0
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[
0,
0,
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] | -18.869317 | [
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0.001,
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[
0,
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0
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[
0,
0,
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[
0,
0,
0
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] | 0 | 4.743887 | pbe | true | 2f70dbe92cf15469b76738b61b96e030_221_La1Ge3Pb1 |
[
"Ge",
"La",
"Sb"
] | 8 | A2BC | GeLa2Sb | La4 Ge2 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.36773563,
0,
0
],
[
0,
4.59630557,
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],
[
9.6e-7,
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12.58103264
]
] | agm005753985 | [
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[
1.0919345185380034,
1.3761192884972546,
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4.570857654436952
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[
3.275802322023994,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}] | [
"La",
"La",
"La",
"La",
"Ge",
"Ge",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.75625753,
1e-8,
6e-8
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[
1e-8,
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[
6e-8,
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]
] | -45.244593 | [
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0
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[
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[
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[
0,
0.00027742,
0.00156197
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[
0,
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]
] | 0 | 5.108891 | pbe | true | 9e06347c6dff4eac64f5dcf43fb60697_63_La4Ge2Sb2 |
[
"Ge",
"La",
"Sm"
] | 4 | A2BC | Ge2LaSm | La1 Sm1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.17954063,
0,
0
],
[
0,
4.8931386,
0
],
[
0,
0,
4.8931386
]
] | agm001241883 | [
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0,
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2.4465693
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[
0,
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0
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[
2.089770315,
0,
0
],
[
2.089770315,
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2.4465693
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Ge",
"Ge",
"Sm",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.4367168,
0,
0
],
[
0,
1.7856543,
0
],
[
0,
0,
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]
] | -21.461904 | [
0,
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] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000026 | 3.883559 | pbe | true | ad82b935a8e0d93c9b09f96cf590fd93_123_La1Sm1Ge2 |
[
"Ge",
"Li",
"P"
] | 10 | A2B2C | GeLi2P2 | Li4 Ge2 P4 | 3 | [
1,
1,
1
] | 3 | [
[
7.50354135,
0,
0
],
[
0,
7.50354135,
0
],
[
0,
0,
2.64606406
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] | agm002988806 | [
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0
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[
6.143611071179679,
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0
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[
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2.8720573630113377,
1.32303203
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[
2.8720573630113377,
0.8797133119886625,
1.32303203
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"P",
"P",
"P",
"Ge",
"Ge",
"Li",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
2.1057017,
0,
0
],
[
0,
2.1057017,
0
],
[
0,
0,
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]
] | -41.071138 | [
0,
0,
0,
0,
0,
0,
0,
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0,
0
] | [
[
0.00162965,
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[
0.00162965,
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[
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[
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[
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[
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[
0.00290753,
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],
[
0.00290753,
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]
] | -0 | 2.039371 | pbe | true | c6ccf53e650bdce326fc40d9c8f28052_127_Li4Ge2P4 |
[
"Ge",
"Li",
"Pd"
] | 10 | A2B2C | Ge2Li2Pd | Li4 Ge4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
4.23274898,
0.00218914,
0.0024942
],
[
-0.02696542,
4.23266427,
0.00248237
],
[
-2.08233879,
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9.09129645
]
] | agm002218316 | [
[
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2.131351691018065,
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[
1.0498376403909138,
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1.0736071296090859,
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[
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[
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5.357467093630556
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[
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8.28445171038824
],
[
3.191488284128069,
0.008223110641065177,
3.738805926369443
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Ge",
"Ge",
"Ge",
"Ge",
"Pd",
"Pd",
"Li",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
3.8960621,
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],
[
-0.16951346,
3.8936622,
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],
[
-0.5560626,
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2.7040246
]
] | -40.8175 | [
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0,
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0,
0,
0,
0
] | [
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0.00042261,
0.00163487,
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[
0.00163191,
0.00043406,
-0.00549086
]
] | 0 | 3.70539 | pbe | true | 8fe6268644f6884223f10a5bcd27fbe1_15_Li4Ge4Pd2 |
[
"Ge",
"Li",
"Te"
] | 4 | A2BC | GeLi2Te | Li2 Ge1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.40842382,
3.40842382
],
[
3.40842382,
0,
3.40842382
],
[
3.40842382,
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0
]
] | agm002690426 | [
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[
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[
1.70421191,
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Ge",
"Te",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
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[
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[
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] | -12.883005 | [
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[
0,
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[
0,
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0
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[
0,
0,
0
]
] | 0 | 1.779707 | pbe | true | db0aa02695bc085a0b51963b0d7a74ca_225_Li2Ge1Te1 |
[
"Ge",
"Li",
"Ti"
] | 3 | ABC | GeLiTi | Li1 Ti1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
2.77291302,
0,
0
],
[
0,
2.77291302,
0
],
[
-1.38645651,
-1.38645651,
6.45223212
]
] | agm001845493 | [
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[
1.3864565021499987e-8,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ge",
"Ti",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
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[
0,
1.8547255,
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[
0,
0,
1.8120617
]
] | -14.907111 | [
0,
0.001,
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0,
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[
0,
0,
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[
0,
0,
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]
] | 0.001802 | 2.666332 | pbe | true | bc063d2b7af5987e12020379e97157ad_107_Li1Ti1Ge1 |
[
"Ge",
"Li",
"Tm"
] | 4 | A2BC | Ge2LiTm | Li1 Tm1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.82352978,
0,
0
],
[
2.41176489,
4.17729932,
0
],
[
2.41176489,
1.39243311,
3.93839557
]
] | agm001093013 | [
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ge",
"Ge",
"Tm",
"Li"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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0,
0
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[
0,
1.4899232,
0
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[
0,
0,
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] | -17.205158 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000015 | 2.519431 | pbe | true | 4e8ea7c61d97362126b3a8c28ed9c089_225_Li1Tm1Ge2 |
[
"Ge",
"Mg",
"Sb"
] | 4 | A2BC | GeMg2Sb | Mg2 Ge1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.24001978,
0,
0
],
[
0,
3.24001978,
0
],
[
0,
0,
8.37502676
]
] | agm001114295 | [
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4.18751338
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[
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0
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[
0,
0,
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Sb",
"Ge",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.5293863,
0,
0
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[
0,
1.5293863,
0
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[
0,
0,
1.900054
]
] | -12.364156 | [
0,
0,
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0
] | [
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[
0,
0,
0
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[
0,
0,
0.00285404
],
[
0,
0,
-0.00285404
]
] | -0 | 0.940107 | pbe | true | bb61e269c04a3e21ad1d9f65d40e2509_123_Mg2Ge1Sb1 |
[
"Ge",
"Mn",
"Nd"
] | 5 | A3BC | Ge3MnNd | Nd1 Mn1 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
4.36650026,
0,
0
],
[
0,
4.36650026,
0
],
[
-2.18325013,
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5.02079813
]
] | agm003715676 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Nd",
"Mn",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
0
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[
0,
3.5747094,
0
],
[
0,
0,
3.3379614
]
] | -29.846326 | [
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0.573,
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] | [
[
0,
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[
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[
0,
0,
0.00020301
],
[
0,
0,
0.00020301
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[
0,
0,
-0.00235112
]
] | 0.452026 | 3.006473 | pbe | true | a89a5b3852ccffccc6a62ef24ba59674_107_Nd1Mn1Ge3 |
[
"Ge",
"Mn",
"Pm"
] | 16 | A2BC | Ge2MnPm | Pm4 Mn4 Ge8 | 3 | [
1,
1,
1
] | 3 | [
[
4.06144156,
0,
0
],
[
0,
7.4546357,
0
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[
0,
0,
10.27677556
]
] | agm003619662 | [
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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"Pm",
"Mn",
"Mn",
"Mn",
"Mn",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
3.9623995,
0
],
[
0,
0,
4.261802
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] | -100.802679 | [
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2.746,
2.746,
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[
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[
0,
-0.00051475,
-0.00854805
],
[
0,
0.00051475,
-0.00854805
]
] | 10.579152 | 9.652259 | pbe | true | 943f1f1d3c16b986212b521f3ce94651_62_Pm4Mn4Ge8 |
[
"Ge",
"Mn",
"V"
] | 9 | A4B3C2 | Ge4Mn2V3 | Mn2 V3 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
3.38281752,
0,
0
],
[
0,
6.21861039,
0.25308955
],
[
-1.69140876,
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5.89516861
]
] | agm003341623 | [
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[
0.000001708322847631265,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Mn",
"Mn",
"V",
"V",
"V",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
0.2222222222222222,
0.3333333333333333
] | [
[
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0,
0
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[
0,
8.883786,
0.40369827
],
[
0,
0.40369824,
8.849492
]
] | -65.507263 | [
2.096,
2.096,
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-0.126,
0.014,
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0.014,
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] | [
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[
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[
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[
0,
0.00001889,
0.00071777
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[
0,
0.00291351,
0.00394308
]
] | 3.238009 | 6.460636 | pbe | true | fb1fa8b72ef1b10886d51de754e7eedb_12_Mn2V3Ge4 |
[
"Ge",
"Mo",
"Pm"
] | 10 | A5B4C | Ge5MoPm4 | Pm4 Ge5 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.92006212,
0,
0
],
[
2.96003105,
6.45717125,
4e-8
],
[
2.96003106,
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6.45717125
]
] | agm003658723 | [
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5.929973543289764,
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Pm",
"Pm",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Mo"
] | 2023-11-16 06:57:59 | [
0.5,
0.1,
0.4
] | [
[
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0
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[
0,
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3e-8
],
[
0,
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2.1352098
]
] | -57.666745 | [
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[
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] | -0 | 5.233175 | pbe | true | beab734685b2dae4c152e6ab857fd33f_79_Pm4Ge5Mo1 |
[
"Ge",
"N",
"S"
] | 3 | ABC | GeNS | Ge1 S1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
3.03936825,
0.02403559,
0.00741802
],
[
-1.49855583,
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],
[
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] | agm002106924 | [
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"Ge",
"S",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | -16.426175 | [
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[
-0.0008166,
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0.00356728
]
] | 0 | 0.666336 | pbe | true | 99aa91234ea5ddd9a19c4d5b022a017a_1_Ge1S1N1 |
[
"Ge",
"Na",
"Os"
] | 4 | A2BC | GeNaOs2 | Na1 Ge1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.0831741,
3.0831741
],
[
3.0831741,
0,
3.0831741
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[
3.0831741,
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] | agm002711611 | [
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Na",
"Ge",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
3.7252674,
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[
0,
3.7252674,
0
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[
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] | -24.892108 | [
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[
0,
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0
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[
0,
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[
0,
0,
0
]
] | 0.000113 | 5.392699 | pbe | true | 6961a75208c8e48605e1830b1a4c08e6_225_Na1Ge1Os2 |
[
"Ge",
"Na",
"P"
] | 12 | A3B2C | GeNa3P2 | Na6 Ge2 P4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
7.49255642,
0
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[
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] | agm003421720 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Ge",
"Ge",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.3333333333333333
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[
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[
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] | -39.855373 | [
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[
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0,
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[
-0.00310415,
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]
] | 0.00035 | 7.844441 | pbe | true | 5fccd769dd7f39828e5a711935aff4aa_72_Na6Ge2P4 |
[
"Ge",
"Na",
"Pt"
] | 4 | A2BC | GeNaPt2 | Na1 Ge1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.16297202,
3.16297202
],
[
3.16297202,
0,
3.16297202
],
[
3.16297202,
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0
]
] | agm002710498 | [
[
0,
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[
3.16297202,
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[
1.58148601,
1.58148601,
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Na",
"Ge",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
7.6887875,
0
],
[
0,
0,
7.6887875
]
] | -18.655791 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.776202 | pbe | true | afa186c22672494bed535a4fb57284f4_225_Na1Ge1Pt2 |
[
"Ge",
"Na",
"Sc"
] | 4 | A2BC | GeNa2Sc | Na2 Sc1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.54990128,
3.54990128
],
[
3.54990128,
0,
3.54990128
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[
3.54990128,
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0
]
] | agm002711416 | [
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[
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[
5.3248519199999995,
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[
3.54990128,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Na",
"Na",
"Ge"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.0243058,
0,
0
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[
0,
3.0243058,
0
],
[
0,
0,
3.0243058
]
] | -12.56821 | [
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0.015,
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] | [
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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,
0
]
] | 0.808973 | 3.415916 | pbe | true | be7de5416aa4006c567baa4fa5881f84_225_Na2Sc1Ge1 |
[
"Ge",
"Nb",
"Ni"
] | 16 | A2BC | GeNbNi2 | Nb4 Ni8 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
7.73744258,
0,
0.00670424
],
[
0,
4.19003157,
0
],
[
-3.84292221,
0,
6.72144046
]
] | agm002112211 | [
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2.729866124042383
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[
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0,
5.764116660323662
],
[
4.441620753289523,
2.095015785,
2.4033964303236623
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Nb",
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"Nb",
"Nb",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-6.023281,
0,
0.07945849
],
[
0,
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0
],
[
0.07946054,
0,
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]
] | -109.454107 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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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[
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[
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[
-0.00020493,
0,
0.00117284
],
[
-0.00020493,
0,
0.00117284
]
] | 0.000439 | 15.087772 | pbe | true | 63811785468a2d51c26f31741d473ab0_8_Nb4Ni8Ge4 |
[
"Ge",
"Nb",
"Sb"
] | 5 | A3BC | Ge3NbSb | Nb1 Ge3 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.05792877,
0,
0
],
[
0,
5.05792877,
0
],
[
0,
0,
5.05792877
]
] | agm002483215 | [
[
2.528964385,
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2.528964385
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[
0,
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0
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[
0,
2.528964385,
0
],
[
0,
0,
2.528964385
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Sb",
"Nb",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.0131379,
0,
0
],
[
0,
1.0131379,
0
],
[
0,
0,
1.0131379
]
] | -25.322871 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0.000019 | 5.670345 | pbe | true | a998e6b7fd1a3101c46ddbd3dcd0df09_221_Nb1Ge3Sb1 |
[
"Ge",
"Nb",
"Sn"
] | 5 | A3BC | Ge3NbSn | Nb1 Sn1 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
5.10616486,
0,
0
],
[
0,
5.10616486,
0
],
[
0,
0,
5.10616486
]
] | agm002483216 | [
[
2.55308243,
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[
0,
2.55308243,
0
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[
0,
0,
2.55308243
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[
2.55308243,
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Nb",
"Ge",
"Ge",
"Ge",
"Sn"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.5870593,
0,
0
],
[
0,
2.5870593,
0
],
[
0,
0,
2.5870593
]
] | -20.362716 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 7.813602 | pbe | true | 7092a0720070fa43a85e58ed8a3f9009_221_Nb1Sn1Ge3 |
[
"Ge",
"Nb",
"Y"
] | 10 | A3BC | Ge3NbY | Y2 Nb2 Ge6 | 3 | [
1,
1,
1
] | 3 | [
[
5.74797884,
0,
0
],
[
0,
6.36852553,
0
],
[
0,
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5.5153049
]
] | agm002214551 | [
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[
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[
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4.404843318426033
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[
4.31098413,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Nb",
"Nb",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.6,
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[
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1,
1
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[
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1
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] | 0.037007 | 8.568784 | pbe | true | 5a2ead8f9deb8a792ffb8127d0838519_12_Nd5Th1Ge4 |
[
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1,
1,
1
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] | 0 | 7.287553 | pbe | true | d6764a8169e18bfd0c85d0a2585d0c4f_71_Pm3Ni4Ge4 |
[
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1,
1,
1
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] | -0.000011 | 5.698193 | pbe | true | 716412e4771594d3d42fafaef5cbb3de_12_Pr3Ni2Ge4 |
[
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1,
1,
1
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
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] | 0 | 5.820356 | pbe | true | 3bcc0c0652678358d243da697783f2ac_72_Pr4Ni6Ge10 |
[
"Ge",
"Ni",
"Pu"
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1,
1,
1
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[
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] | 10.633575 | 22.312449 | pbe | true | cae7a6a5be6f0ed914dd935aef30dc48_25_Pu2Ni1Ge3 |
[
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1,
1,
1
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0,
0
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[
2.00312783,
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[
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"Ti",
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[
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] | 0 | -0.033325 | pbe | true | a24cd35b3416ddb669c8669db3d4c05f_216_Ti1Ni1Ge1 |
[
"Ge",
"Ni",
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1,
1,
1
] | 3 | [
[
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0
],
[
0,
4.76377686,
0
],
[
2.38188843,
2.38188843,
7.71463081
]
] | agm002868600 | [
[
2.38188843,
2.38188843,
0
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[
2.38188843,
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"Ni",
"Tl",
"Tl",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.9617556,
0,
0
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[
0,
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0
],
[
0,
0,
-1.7818865
]
] | -32.997873 | [
0,
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0,
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[
0,
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[
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[
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[
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],
[
0,
-0.01289118,
0
],
[
0,
0.01289118,
0
]
] | 0 | 7.540482 | pbe | true | 9c77da6c03cba19d0cd050594ef4bd7b_122_Tl2Ni2Ge4 |
[
"Ge",
"Ni",
"U"
] | 9 | A6B2C | Ge2Ni6U | U1 Ni6 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
3.71751374,
0.31903175,
0.90721687
],
[
1.15601502,
5.7530932,
1.36863559
],
[
0.56393462,
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5.98115402
]
] | agm005656990 | [
[
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[
1.1667625244734947,
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3.150673488599629
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[
4.270702575476145,
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[
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[
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[
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5.121918258439534
],
[
3.0272960616762443,
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3.135088221560465
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"U",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
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],
[
-0.00928823,
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0.01676716
],
[
-0.01693981,
0.01676716,
-7.800805
]
] | -56.295184 | [
-1.435,
0.024,
0.024,
0.024,
0.106,
0.106,
0.024,
-0.003,
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] | [
[
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[
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],
[
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[
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],
[
-0.00038216,
0.00095083,
0.00123256
]
] | -1.296367 | 10.114065 | pbe | true | ed4077a9e802195d02d37ed4a62b2f17_71_U1Ni6Ge2 |
[
"Ge",
"Np",
"Os"
] | 4 | A2BC | GeNp2Os | Np2 Ge1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.73187018,
0,
0
],
[
0,
3.73187018,
0
],
[
0,
0,
5.55883015
]
] | agm001809304 | [
[
0,
0,
4.131380546078464
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[
0,
0,
1.4274496039215356
],
[
1.86593509,
1.86593509,
2.779415075
],
[
1.86593509,
1.86593509,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}] | [
"Np",
"Np",
"Ge",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.4373844,
0,
0
],
[
0,
2.4373844,
0
],
[
0,
0,
2.7785277
]
] | -41.985645 | [
3.437,
3.437,
-0.095,
-0.656
] | [
[
0,
0,
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],
[
0,
0,
0.00033747
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.299623 | 8.641635 | pbe | true | 9d5192e13c266c9148c7a9b816ec9e2e_123_Np2Ge1Os1 |
[
"Ge",
"Np",
"Sb"
] | 4 | A2BC | Ge2NpSb | Np1 Ge2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.28790241,
0,
0
],
[
0,
4.44324434,
0
],
[
0,
0,
4.44324434
]
] | agm001207546 | [
[
2.143951205,
2.22162217,
2.22162217
],
[
2.143951205,
0,
0
],
[
0,
0,
2.22162217
],
[
0,
2.22162217,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}] | [
"Np",
"Sb",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.6579528,
0,
0
],
[
0,
1.8720094,
0
],
[
0,
0,
1.8720094
]
] | -26.945217 | [
3.481,
-0.051,
-0.045,
-0.045
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.3928 | 10.20555 | pbe | true | fcbfb2531e2769853a900080ca512939_123_Np1Ge2Sb1 |
[
"Ge",
"Np",
"Sb"
] | 4 | A2BC | GeNp2Sb | Np2 Ge1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.23322245,
0,
0
],
[
0,
4.71495155,
0
],
[
0,
0,
4.71495155
]
] | agm001208196 | [
[
0,
0,
2.357475775
],
[
0,
2.357475775,
0
],
[
2.116611225,
0,
0
],
[
2.116611225,
2.357475775,
2.357475775
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}] | [
"Np",
"Np",
"Sb",
"Ge"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.5335047,
0,
0
],
[
0,
1.8061658,
0
],
[
0,
0,
1.8061658
]
] | -35.070857 | [
4.147,
4.147,
-0.063,
-0.068
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.942859 | 11.410751 | pbe | true | 43c5d4485d0fa24c99d9f73f5c624911_123_Np2Ge1Sb1 |
[
"Ge",
"O",
"Ru"
] | 4 | A2BC | GeO2Ru | Ge1 Ru1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.80323655,
2.80323655
],
[
2.80323655,
0,
2.80323655
],
[
2.80323655,
2.80323655,
0
]
] | agm002716237 | [
[
2.80323655,
2.80323655,
2.80323655
],
[
0,
0,
0
],
[
1.401618275,
1.401618275,
1.401618275
],
[
4.204854825,
4.204854825,
4.204854825
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}] | [
"Ru",
"Ge",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-18.97335,
0,
0
],
[
0,
-18.97335,
0
],
[
0,
0,
-18.97335
]
] | -23.692701 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000008 | 3.206063 | pbe | true | 0ea2c25e8af85fc2862d2473e25f7c99_225_Ge1Ru1O2 |
[
"Ge",
"O",
"Tc"
] | 7 | A4B2C | Ge2OTc4 | Tc4 Ge2 O1 | 3 | [
1,
1,
1
] | 3 | [
[
3.98311334,
0,
0
],
[
0,
3.98311334,
0
],
[
1.99155667,
1.99155667,
6.41498229
]
] | agm001072893 | [
[
3.98311334,
3.98311334,
4.614680377137942
],
[
1.99155667,
1.99155667,
1.800301912862058
],
[
3.9831133200844335,
3.9831133200844335,
2.1658496071355127
],
[
1.9915566899155668,
1.9915566899155668,
4.249132682864488
],
[
0,
1.99155667,
0
],
[
1.99155667,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Ge",
"Ge",
"Tc",
"Tc",
"Tc",
"Tc",
"O"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] | [
[
0.4380741,
0,
0
],
[
0,
0.4380741,
0
],
[
0,
0,
0.42084187
]
] | -54.755848 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00242097
],
[
0,
0,
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],
[
0,
0,
0.00086331
],
[
0,
0,
-0.00086331
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000627 | 5.943795 | pbe | true | 9ab52bfdd44de036f15eca81f0639343_139_Tc4Ge2O1 |
[
"Ge",
"O",
"Tc"
] | 12 | A4BC | GeO4Tc | Tc2 Ge2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
4.61291497,
0,
0
],
[
0,
4.61291497,
0
],
[
0,
0,
9.05958145
]
] | agm003747374 | [
[
0,
0,
0
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[
0,
0,
4.529790725
],
[
0,
2.306457485,
2.2648953625
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[
2.306457485,
0,
6.7946860875
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[
1.207775262662358,
0.9229022538450737,
7.914826055562731
],
[
3.4051397073376424,
3.6900127161549263,
7.914826055562731
],
[
0.9229022538450737,
1.207775262662358,
3.385035330562731
],
[
1.207775262662358,
3.6900127161549263,
5.674546119437268
],
[
3.4051397073376424,
0.9229022538450737,
5.674546119437268
],
[
0.9229022538450737,
3.4051397073376424,
1.1447553944372684
],
[
3.6900127161549263,
1.207775262662358,
1.1447553944372684
],
[
3.6900127161549263,
3.4051397073376424,
3.385035330562731
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Tc",
"Tc",
"Ge",
"Ge",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
0.48090616,
0,
0
],
[
0,
0.48090616,
0
],
[
0,
0,
0.35621205
]
] | -82.18941 | [
0.717,
0.717,
-0.002,
-0.002,
0.051,
0.051,
0.051,
0.051,
0.051,
0.051,
0.051,
0.051
] | [
[
0,
0,
0
],
[
0,
0,
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[
0,
0,
0
],
[
0,
0,
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[
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[
0.00464073,
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[
0.00019479,
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[
-0.00464073,
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0.00007152
],
[
0.00464073,
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0.00007152
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[
0.00019479,
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0.00007152
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[
-0.00019479,
-0.00464073,
0.00007152
],
[
-0.00019479,
0.00464073,
-0.00007152
]
] | 1.988903 | 3.590259 | pbe | true | e11ed38b9ea5bfb2ae6259498bd7276b_112_Tc2Ge2O8 |
[
"Ge",
"Os",
"Zr"
] | 4 | A2BC | Ge2OsZr | Zr1 Ge2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.19046617,
0,
0
],
[
2.09523309,
3.62905016,
0
],
[
2.09523309,
1.20968339,
4.51494183
]
] | agm001984858 | [
[
2.0952309710779913,
1.2096821654831886,
0.8082772573472142
],
[
6.285701378922009,
3.6290513845168118,
3.7066645726527856
],
[
0,
0,
0
],
[
4.190466174999999,
2.419366775,
2.257470915
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Ge",
"Ge",
"Os",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.6505563,
0,
0
],
[
0,
3.6505563,
0
],
[
0,
0,
3.843901
]
] | -30.131949 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00265875
],
[
0,
0,
-0.00265875
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 1.564815 | pbe | true | 9956a7dfb96f220ab3a4be8c463a9b16_166_Zr1Ge2Os1 |
[
"Ge",
"P",
"Sr"
] | 18 | A4B4C | GeP4Sr4 | Sr8 Ge2 P8 | 3 | [
1,
1,
1
] | 3 | [
[
6.47155106,
0,
-1e-8
],
[
0,
8.76722437,
0
],
[
0.000001,
0,
8.7672234
]
] | agm006037144 | [
[
2.0641101705043936,
2.352245684765294,
8.766430752142895
],
[
5.299885468894734,
4.384404829755291,
6.7358571163248495
],
[
2.0641091706852137,
6.414978685234706,
0.0007926414780817001
],
[
1.1716668594956061,
2.031366500234706,
4.384404342857106
],
[
4.407442621105266,
8.766431725244708,
6.414977968675151
],
[
1.171666859314786,
6.735857869765293,
4.382819053521919
],
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3.801509993520459,
3.9103948744242465,
1.1266499418034617
],
[
3.8015099964795405,
4.236697405575754,
5.638786288196538
],
[
3.8015099964795405,
6.321185960349251,
3.1285977282200985
],
[
3.801509993520459,
1.8259063196507488,
3.6368385017799016
],
[
5.702264992226644,
5.887614368980061,
4.8891405904348355
],
[
1.9007549977733549,
2.25947791101994,
1.876295639565165
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.625,
0.125,
0.25
] | [
[
5.8399835,
0,
0
],
[
0,
5.5069804,
-0.03811766
],
[
0,
-0.03811766,
5.521229
]
] | -45.250257 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
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[
0,
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0.00235071
],
[
0,
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[
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[
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[
0,
-0.00801185,
-0.00665313
],
[
0,
0.00801185,
0.00665313
]
] | -0 | 3.501769 | pbe | true | 9ab8821df1f29dac13fb5a0da805edd7_71_Pm1Ge5Rh2 |
[
"Ge",
"Pm",
"Ru"
] | 4 | A2BC | GePmRu2 | Pm1 Ge1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
3.40579176,
0,
0
],
[
0,
4.50330741,
0
],
[
0,
0,
4.50330741
]
] | agm001208156 | [
[
0,
0,
2.251653705
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[
0,
2.251653705,
0
],
[
1.70289588,
0,
0
],
[
1.70289588,
2.251653705,
2.251653705
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}] | [
"Ru",
"Ru",
"Ge",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.4682202,
0,
0
],
[
0,
3.1529787,
0
],
[
0,
0,
3.1529787
]
] | -28.506913 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000002 | 2.101806 | pbe | true | 5e5acd2466e9279b2b80edff9fce91f4_123_Pm1Ge1Ru2 |
[
"Ge",
"Pm",
"Sm"
] | 4 | A2BC | GePm2Sm | Pm2 Sm1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
3.70811483,
0,
0
],
[
1.85405741,
3.21132164,
0
],
[
1.85405741,
1.07044054,
11.04976411
]
] | agm001926631 | [
[
3.708114825,
2.14088109,
5.524882055
],
[
0,
0,
0
],
[
1.8540592651180283,
1.0704416125617764,
7.53390088353227
],
[
5.562170384881973,
3.2113205674382237,
3.5158632264677308
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Ge",
"Sm",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.7872476,
0,
0
],
[
0,
0.7872476,
0
],
[
0,
0,
0.8210477
]
] | -18.986677 | [
-0.006,
0.263,
0.055,
0.055
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0.00608565
],
[
0,
0,
-0.00608565
]
] | 0.799855 | 5.847113 | pbe | true | db81e7c7b97fc065692a858d883ef714_166_Pm2Sm1Ge1 |
[
"Ge",
"Pm",
"Sn"
] | 4 | A2BC | GePm2Sn | Pm2 Sn1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
5.34839951,
0,
0
],
[
2.67419976,
4.63184985,
0
],
[
2.67419976,
1.54394995,
4.36694991
]
] | agm002339139 | [
[
2.6741997575000003,
1.54394995,
1.0917374775
],
[
8.0225992725,
4.63184985,
3.2752124325
],
[
5.3483995150000005,
3.0878999,
2.183474955
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Ge",
"Sn",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.6762186,
0,
0
],
[
0,
1.6762186,
0
],
[
0,
0,
1.6762186
]
] | -20.307365 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000143 | 5.404886 | pbe | true | 31ad5d04901ecf0e9f1f974cb909c920_225_Pm2Sn1Ge1 |
[
"Ge",
"Rb",
"Zr"
] | 4 | A2BC | GeRb2Zr | Rb2 Zr1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.20533791,
4.20533791
],
[
4.20533791,
0,
4.20533791
],
[
4.20533791,
4.20533791,
0
]
] | agm002679466 | [
[
0,
0,
0
],
[
2.102668955,
2.102668955,
2.102668955
],
[
6.308006864999999,
6.308006864999999,
6.308006864999999
],
[
4.20533791,
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4.20533791
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Ge",
"Rb",
"Rb",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.25785887,
0,
0
],
[
0,
0.25785887,
0
],
[
0,
0,
0.25785887
]
] | -10.432123 | [
-0.327,
0.022,
0.022,
1.611
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.997221 | 6.056291 | pbe | true | 01a1eb8d08a87bf837c0802640909541_225_Rb2Zr1Ge1 |
[
"Ge",
"Pm",
"Sn"
] | 10 | A7B2C | GePm7Sn2 | Pm7 Sn2 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
5.33965329,
0,
0
],
[
-2.66982664,
4.6242754,
0
],
[
0,
0,
12.69958317
]
] | agm003511264 | [
[
2.669826673364933,
1.5414251179190819,
7.536037932622479
],
[
2.669826673364933,
1.5414251179190819,
10.859736011083687
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[
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[
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[
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[
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12.450785128133203
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[
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[
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3.0828502820809183,
8.899543919169334
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[
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1.5414251179190819,
4.434180109845615
],
[
0,
0,
0.0174057947011386
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Sn",
"Sn",
"Ge"
] | 2023-11-16 06:57:59 | [
0.1,
0.7,
0.2
] | [
[
1.1537889,
0,
0
],
[
0,
1.1537889,
0
],
[
0,
0,
1.1937784
]
] | -49.559679 | [
0,
0.007,
0.003,
0,
0,
0.004,
0.001,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
0.00156689
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[
0,
0,
0.00026242
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[
0,
0,
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[
0,
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[
0,
0,
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[
0,
0,
0.00177203
],
[
0,
0,
0.01038524
],
[
0,
0,
-0.01082186
]
] | 0.023765 | 12.519081 | pbe | true | 648d531491d0ef3fde0aa1221f6a0dba_156_Pm7Sn2Ge1 |
[
"Ge",
"Pm",
"Tc"
] | 10 | A3BC | GePm3Tc | Pm6 Tc2 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
7.27742453,
-0.34549931,
-0.05013731
],
[
-3.8731435,
6.17082142,
0.05013731
],
[
-3.48163428,
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6.11995693
]
] | agm003713789 | [
[
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0.33035011250309976,
4.609697767727837
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[
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4.349550488234764,
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[
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4.599007783006308
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[
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[
1.911588253808735,
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1.51025916177079
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[
1.65838188355322,
3.178196107780262,
4.245633842358478
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[
0.25860788926694755,
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[
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[
0.04369094347996977,
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1.6604773940056938
],
[
0.0919196570505953,
0.19071944014127112,
4.459479536495679
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Tc",
"Tc",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.2310475,
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-0.02516834
],
[
-0.06763879,
1.1548333,
0.01470822
],
[
-0.02516834,
0.01470822,
1.251443
]
] | -59.157562 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00001746,
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[
-0.00005672,
0.00067001,
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[
0.00061158,
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[
0.00050232,
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[
0.0005374,
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[
0.00249412,
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[
0.00054594,
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[
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[
-0.00431751,
-0.00178955,
-0.00389989
],
[
0.00056012,
-0.00464,
0.00389989
]
] | 0 | 7.237698 | pbe | true | 5ac4ec1ea708fc1c520fd5ceb445c028_46_Pm6Tc2Ge2 |
[
"Ge",
"Pm",
"Tm"
] | 7 | A3B2C2 | Ge3Pm2Tm2 | Pm2 Tm2 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
4.25145359,
-0.00459976,
0.0018418
],
[
-2.11834423,
7.10443051,
-0.60480351
],
[
-0.0029241,
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7.36256608
]
] | agm003304259 | [
[
2.1252363229488758,
0.21023508738702823,
6.393325576398054
],
[
0.004948937051124328,
5.184957652612972,
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[
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[
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Tm",
"Tm",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.2857142857142857,
0.2857142857142857
] | [
[
1.0629096,
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[
-0.02477316,
1.0764664,
0.00568796
],
[
-0.02281232,
0.00568802,
0.9775685
]
] | -36.476168 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00180435,
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0.00076465
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[
0.00180435,
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[
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[
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[
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[
-0.00166056,
0.00277131,
-0.00379658
],
[
0.00166056,
-0.00277131,
0.00379658
]
] | 0 | 1.318595 | pbe | true | bf624770046b6aa71c4dba152bf4df30_12_Pm2Tm2Ge3 |
[
"Ge",
"Pr",
"Tm"
] | 10 | A2B2C | Ge2Pr2Tm | Pr4 Tm2 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
4.46771069,
0,
0
],
[
0,
7.68891587,
0
],
[
0,
0,
7.68891587
]
] | agm005899176 | [
[
2.233855345,
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5.189609546371509
],
[
2.233855345,
5.189609546371509,
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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,
4.7884474346568595,
0.9439894996568599
],
[
0,
0.9439894996568599,
2.9004684353431402
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Pr",
"Pr",
"Pr",
"Pr",
"Tm",
"Tm",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
1.1353759,
0,
0
],
[
0,
1.4376371,
0
],
[
0,
0,
1.4376371
]
] | -54.308942 | [
0,
0,
0,
0,
0,
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0,
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0
] | [
[
0,
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[
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[
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[
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[
0,
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-0.00226519
],
[
0,
-0.00226519,
-0.00226519
],
[
0,
-0.00226519,
0.00226519
]
] | -0.000002 | 8.743995 | pbe | true | 2ee57763dd23a0676ee6664af83194cb_127_Pr4Tm2Ge4 |
[
"Ge",
"Rh",
"Tm"
] | 4 | A2BC | GeRhTm2 | Tm2 Ge1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.49076048,
0,
0
],
[
0,
3.49076048,
0
],
[
0,
0,
6.75936096
]
] | agm001114422 | [
[
1.74538024,
1.74538024,
0
],
[
0,
0,
5.004599626536366
],
[
0,
0,
1.7547613334636354
],
[
1.74538024,
1.74538024,
3.37968048
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ge",
"Tm",
"Tm",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.5908616,
0,
0
],
[
0,
3.5908616,
0
],
[
0,
0,
3.488775
]
] | -24.148264 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.0016606
],
[
0,
0,
-0.0016606
],
[
0,
0,
0
]
] | -0.000001 | 2.05351 | pbe | true | b7219ed63121b5fbb623eb7d3ff3ddc7_123_Tm2Ge1Rh1 |
[
"Ge",
"Rh",
"V"
] | 4 | A2BC | GeRhV2 | V2 Ge1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.06043039,
3.06043039
],
[
3.06043039,
0,
3.06043039
],
[
3.06043039,
3.06043039,
0
]
] | agm002747312 | [
[
0,
0,
0
],
[
3.06043039,
3.06043039,
3.06043039
],
[
1.530215195,
1.530215195,
1.530215195
],
[
4.590645585,
4.590645585,
4.590645585
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ge",
"Rh",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
11.986115,
0,
0
],
[
0,
11.986115,
0
],
[
0,
0,
11.986115
]
] | -30.745144 | [
0,
0.297,
1.35,
1.35
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.371805 | 5.58014 | pbe | true | 15b3472cbd8e5dfb543a5918ab43f821_225_V2Ge1Rh1 |
[
"Ge",
"Ru",
"Sn"
] | 5 | A3BC | GeRu3Sn | Sn1 Ge1 Ru3 | 3 | [
1,
1,
1
] | 3 | [
[
4.90087642,
0,
0
],
[
0,
4.90087642,
0
],
[
0,
0,
4.90087642
]
] | agm002485303 | [
[
0,
2.45043821,
0
],
[
0,
0,
2.45043821
],
[
2.45043821,
0,
0
],
[
2.45043821,
2.45043821,
2.45043821
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
"Ru",
"Ge",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
-11.64242,
0,
0
],
[
0,
-11.64242,
0
],
[
0,
0,
-11.64242
]
] | -27.413527 | [
1.403,
1.5,
1.283,
-0.025,
-0.064
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.331114 | 6.236357 | pbe | true | 4bc46d87ffbc05df2a2b893c81112f36_221_Sn1Ge1Ru3 |
[
"Ge",
"Ru",
"Tc"
] | 5 | A3BC | GeRuTc3 | Tc3 Ge1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.71493405,
0,
0
],
[
0,
4.71493405,
0
],
[
0,
0,
4.71493405
]
] | agm002485819 | [
[
0,
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0
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[
2.357467025,
2.357467025,
2.357467025
],
[
0,
2.357467025,
0
],
[
0,
0,
2.357467025
],
[
2.357467025,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ge",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-37.072113,
0,
0
],
[
0,
-37.072113,
0
],
[
0,
0,
-37.072113
]
] | -36.379673 | [
-0.058,
-0.057,
0.953,
1.133,
0.803
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.978949 | 6.819243 | pbe | true | cc84003392945d5068207cccedb656f9_221_Tc3Ge1Ru1 |
[
"Ge",
"Ru",
"Tm"
] | 5 | A3BC | Ge3RuTm | Tm1 Ge3 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.34091649,
-0.0011612,
-0.00290661
],
[
-0.0011612,
4.34091649,
-0.00290661
],
[
-2.17326061,
-2.17326061,
5.06512139
]
] | agm002214516 | [
[
-0.0032172908449210067,
-0.0032172908449210067,
2.394435274963345
],
[
2.168662713023665,
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3.4536397129913343
],
[
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3.4536397129913343
],
[
0.0019153383632766982,
0.0019153383632766982,
0.052422392394416796
],
[
2.1682109395954923,
2.1682109395954923,
0.7766285679447896
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ru",
"Ge",
"Ge",
"Ge",
"Tm"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.2250967,
0.4021808,
0.3925174
],
[
0.4021808,
3.2250967,
0.3925174
],
[
0.39251703,
0.39251703,
2.681709
]
] | -29.903997 | [
0,
0,
0,
0,
0
] | [
[
0.00529963,
0.00529963,
0.00318743
],
[
-0.00436607,
0.00564,
0.00313871
],
[
0.00564,
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0.00313871
],
[
-0.0093743,
-0.0093743,
-0.00786711
],
[
0.00280074,
0.00280074,
-0.00159774
]
] | 0 | 1.957996 | pbe | true | ba8f76d51b749b8e4bb3ad9148a78529_8_Tm1Ge3Ru1 |
[
"Ge",
"Sc",
"Sm"
] | 3 | ABC | GeScSm | Sm1 Sc1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
3.76517221,
0,
0
],
[
0,
3.76517221,
0
],
[
-1.8825861,
-1.8825861,
4.95741902
]
] | agm001845822 | [
[
1.882586106490879,
1.882586106490879,
1.478182679668857
],
[
2.601988052536693e-9,
2.601988052536693e-9,
2.5798290593507325
],
[
1.8825861282329834,
1.8825861282329834,
4.3695906305681795
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sc",
"Ge",
"Sm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.7938375,
0,
0
],
[
0,
1.7938375,
0
],
[
0,
0,
2.0316951
]
] | -16.847776 | [
0,
0,
0
] | [
[
0,
0,
0.00133429
],
[
0,
0,
0.01157819
],
[
0,
0,
-0.01291248
]
] | -0.001014 | 4.498772 | pbe | true | b7d3c58ff2347d2873c01c7d09d412dc_107_Sm1Sc1Ge1 |
[
"Ge",
"Se",
"Si"
] | 12 | ABC | GeSeSi | Si4 Ge4 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
5.89007832,
0,
0.01893618
],
[
0,
3.49008472,
0
],
[
-4.38338366,
0,
12.39607998
]
] | agm002021829 | [
[
-3.2227368517010797,
0,
10.339146579477607
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[
4.729431511701079,
0,
2.075869580522393
],
[
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1.74504236,
4.141106589477607
],
[
2.5377396817010793,
1.74504236,
8.273909570522392
],
[
1.9577110105122775,
0,
6.3061287096321745
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[
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0,
6.108887450367824
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[
4.149402840512277,
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0.1080887196321756
],
[
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[
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0,
10.810794222724768
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[
1.352039981657984,
0,
1.6042219372752318
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[
2.3463465083420156,
1.74504236,
4.612754232724768
],
[
-0.8396518483420161,
1.74504236,
7.802261927275232
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Ge",
"Ge",
"Ge",
"Ge",
"Si",
"Si",
"Si",
"Si",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.5284066,
0,
-0.00638249
],
[
0,
1.4332097,
0
],
[
-0.00638274,
0,
1.2163316
]
] | -54.013663 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0,
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],
[
0.00768917,
0,
0.00311083
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[
-0.00768917,
0,
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[
0.00768917,
0,
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[
0.00073936,
0,
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[
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0,
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[
0.00073936,
0,
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[
-0.00073936,
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[
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0,
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[
0.00219672,
0,
0.00067018
],
[
-0.00219672,
0,
-0.00067018
],
[
0.00219672,
0,
0.00067018
]
] | -0.000009 | 3.229467 | pbe | true | b4e30c45819713f212d396194c9aae70_12_Si4Ge4Se4 |
[
"Ge",
"Si",
"Sr"
] | 12 | A5B5C2 | Ge5Si2Sr5 | Sr5 Si2 Ge5 | 3 | [
1,
1,
1
] | 3 | [
[
3.91901205,
1e-8,
0.96471427
],
[
2.03556142,
8.1146722,
0.17339167
],
[
-0.42872879,
-0.91284254,
10.1842094
]
] | agm005659644 | [
[
2.76292234,
3.600914835,
5.66115767
],
[
1.7527271875085835,
1.573198137849154,
9.764944023212703
],
[
1.1961462105132938,
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3.583410738888625
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[
4.329698469486707,
6.886565167221731,
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[
3.7731174924914166,
5.6286315321508456,
1.5573713167872985
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[
4.115169980636226,
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8.610412625699846
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[
1.4106746993637747,
3.680731246861796,
2.711902714300155
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[
5.067183737875713,
5.843479665002073,
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[
1.9994095391106836,
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[
3.526435140889317,
2.3848805977375194,
2.5595080897810516
],
[
0.4586609421242866,
1.3583500049979258,
6.579318895045713
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Si",
"Si",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4166666666666667,
0.16666666666666666,
0.4166666666666667
] | [
[
1.147581,
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0.02478315
],
[
-0.01758337,
1.1432899,
0.07142965
],
[
0.02478315,
0.07142978,
1.0530031
]
] | -47.754259 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
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[
0.00016834,
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[
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[
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[
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[
0.00023122,
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[
0.00321501,
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[
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[
0.00012725,
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-0.00051696
],
[
-0.00321501,
0.00234135,
0.01306049
],
[
0,
0,
0
]
] | 0 | 6.47573 | pbe | true | f37feb883c0419157b05e970c4c4ce38_12_Sr5Si2Ge5 |
[
"Ge",
"Si",
"Te"
] | 12 | A4BC | GeSiTe4 | Si2 Ge2 Te8 | 3 | [
1,
1,
1
] | 3 | [
[
7.77963922,
-0.08856972,
-0.00001725
],
[
-3.22251745,
7.08145012,
-0.00001789
],
[
-2.27857573,
-3.49646357,
6.56615487
]
] | agm003754374 | [
[
3.4140775954131586,
5.238881745211425,
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],
[
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5.2831555035622255,
3.2830508833737517
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[
1.1389843789897571,
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[
5.028799722284856,
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[
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[
2.7265024236548823,
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[
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[
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[
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[
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[
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1.9583581260646097
],
[
-0.4775929433498873,
2.9231476149595403,
1.9960882873004866
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Si",
"Ge",
"Ge",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
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] | -42.367429 | [
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] | 0.000004 | 9.49864 | pbe | true | 167a588741bd5e64597b5752471eeaa6_109_Si2Ge2Te8 |
[
"H",
"Hg",
"Tm"
] | 3 | ABC | HHgTm | Tm1 Hg1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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"H",
"Tm",
"Hg"
] | 2023-11-16 06:57:59 | [
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] | -0.000006 | 1.318094 | pbe | true | 97591e18d7d711185446bafedce3230e_187_Tm1Hg1H1 |
[
"Ge",
"Sn",
"Sr"
] | 10 | A2B2C | GeSn2Sr2 | Sr4 Sn4 Ge2 | 3 | [
1,
1,
1
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[
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[
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"Sr",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 5.488902 | pbe | true | ddc3c79e2f69755f5bc8790269829273_127_Sr4Sn4Ge2 |
[
"Ge",
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] | 10 | A3BC | GeSnZr3 | Zr6 Sn2 Ge2 | 3 | [
1,
1,
1
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000001 | 8.014548 | pbe | true | 4690996181f22564a11545a3a1f21777_11_Zr6Sn2Ge2 |
[
"Ge",
"Tb",
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] | 20 | A6B3C | Ge3TbTe6 | Tb2 Ge6 Te12 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
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[
0,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
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"Te",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | 0 | 4.003986 | pbe | true | 950b88d52e8f1ed000e96c50634d25ad_11_Tb2Ge6Te12 |
[
"Ge",
"Tb",
"Th"
] | 4 | A2BC | Ge2TbTh | Tb1 Th1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.40380111,
0,
0
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[
2.20190056,
3.81380364,
0
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[
2.20190056,
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"Tb",
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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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] | -0.000004 | 3.146578 | pbe | true | 1304a35708507cf733b1b002e7fb96af_160_Tb1Th1Ge2 |
[
"Ge",
"Tc",
"W"
] | 5 | A3BC | GeTcW3 | Tc1 Ge1 W3 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.53213993,
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[
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] | agm002485882 | [
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"Ge",
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] | 0.000128 | 6.183393 | pbe | true | f4bed3d9e663fc3e10d79d8d3ceca37d_221_Tc1Ge1W3 |
[
"Ge",
"Ti",
"Tm"
] | 18 | A4B3C2 | Ge4Ti3Tm2 | Tm4 Ti6 Ge8 | 3 | [
1,
1,
1
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[
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0
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[
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"Ge",
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] | 2023-11-16 06:57:59 | [
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] | 0.005847 | 15.957186 | pbe | true | 07c5c2f2f8d8f747da4ebbe93e1f5d4d_14_Tm4Ti6Ge8 |
[
"Ge",
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1,
1,
1
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"Ge",
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] | 1.786297 | 8.595609 | pbe | true | 7f9d26706f73f1807e477335f5689173_71_U2Zn2Ge2 |
[
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1,
1,
1
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[
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[
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] | 0 | 19.536688 | pbe | true | 34ca46d254429c0cc41f1121ea46c927_74_Hf12Hg4H4 |
[
"H",
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1,
1,
1
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"Hf",
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"Hf",
"Hf",
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[
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] | 0.000002 | 3.38709 | pbe | true | 4e5e2382b9d181cbd7e1b94a5ec885b7_2_Hf6H2N2 |