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",
"Mo",
"N"
] | 10 | A3BC | GdMoN3 | Gd2 Mo2 N6 | 3 | [
1,
1,
1
] | 3 | [
[
3.72069761,
0,
0
],
[
0,
5.65742543,
-0.07673352
],
[
0,
-2.61211836,
7.6483846
]
] | agm002165126 | [
[
2.7905232075,
-0.21762608792230573,
6.289952446219927
],
[
0.9301744025,
3.2629331579223058,
1.281698633780072
],
[
2.7905232075,
0.7494036613804589,
2.391488446231451
],
[
0.9301744025,
2.2959034086195413,
5.180162633768549
],
[
2.7905232075,
... | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Mo",
"Mo",
"Gd",
"Gd",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.6466589,
0,
0
],
[
0,
0.3674411,
-0.09946826
],
[
0,
-0.09946804,
0.71805364
]
] | -108.483184 | [
0.023,
0.023,
6.909,
6.909,
-0.007,
-0.002,
-0.007,
0.003,
0.003,
-0.002
] | [
[
0,
0.00029267,
-0.00024899
],
[
0,
-0.00029267,
0.00024899
],
[
0,
0.0025895,
-0.00510084
],
[
0,
-0.0025895,
0.00510084
],
[
0,
0.00282498,
-0.00102614
],
[
0,
-0.00396078,
-0.00009035
],
[
0,
-0.00282498,
... | 14 | 0 | pbe | true | 21c1d3cca78c33511b7456d50f00e8c5_11_Gd2Mo2N6 |
[
"Gd",
"Pt",
"Tb"
] | 4 | A2BC | GdPt2Tb | Tb1 Gd1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.51828992,
0,
0
],
[
0,
3.51828992,
0
],
[
0,
0,
7.04159838
]
] | agm001120131 | [
[
1.75914496,
1.75914496,
3.52079919
],
[
1.75914496,
1.75914496,
0
],
[
0,
0,
5.313048638632578
],
[
0,
0,
1.728549741367422
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Gd",
"Tb",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.4716716,
0,
0
],
[
0,
4.4716716,
0
],
[
0,
0,
4.440366
]
] | -35.493058 | [
6.972,
0.028,
0.002,
0.002
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00264553
],
[
0,
0,
0.00264553
]
] | 7.117072 | 2.905536 | pbe | true | 32d425f8f8321ff7d7de7428cf4ec267_123_Tb1Gd1Pt2 |
[
"Gd",
"Ru",
"Tb"
] | 3 | ABC | GdRuTb | Tb1 Gd1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.61824512,
0,
0
],
[
0,
4.72048053,
0
],
[
0,
-2.36024027,
4.08805606
]
] | agm001413384 | [
[
1.2070560518342144,
-2.693573612591623e-8,
2.7253707202935207
],
[
0.208393189510912,
0,
0
],
[
2.202795878654874,
2.3602402869357357,
1.36268533970648
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Gd",
"Tb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.3125744,
0,
0
],
[
0,
2.1528728,
0
],
[
0,
0,
2.1528728
]
] | -28.327659 | [
-0.067,
7.119,
0.076
] | [
[
-0.00078476,
0,
0
],
[
0.01008607,
0,
0
],
[
-0.0093013,
0,
0
]
] | 7.306268 | 2.609956 | pbe | true | 00fa8b04c4060069e6f27a0c19c12ae2_156_Tb1Gd1Ru1 |
[
"Ge",
"Hf",
"Sb"
] | 8 | A2BC | GeHf2Sb | Hf4 Ge2 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
6.2486353,
0,
0
],
[
0,
6.2486353,
0
],
[
3.12431765,
3.12431765,
6.33172623
]
] | agm002834025 | [
[
0,
0,
0
],
[
6.2486353,
3.12431765,
3.165863115
],
[
3.12431765,
3.12431765,
0
],
[
3.12431765,
6.2486353,
3.165863115
],
[
4.477881094665985,
1.562158825,
1.5829315575
],
[
1.770754205334015,
4.686476475,
1.5829315575
]... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Sb",
"Sb",
"Ge",
"Ge",
"Hf",
"Hf",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.65612656,
0,
0
],
[
0,
0.65612656,
0
],
[
0,
0,
0.72089374
]
] | -55.183515 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00645778,
0,
0
],
[
0.00645778,
0,
0
],
[
0,
0.00645778,
0
],
[
0,
-0.00645778,
0
]
] | 0 | 5.758382 | pbe | true | 5b035c5e86255456c5b2d86227c538fb_122_Hf4Ge2Sb2 |
[
"Ge",
"Hf",
"Ta"
] | 5 | A2B2C | Ge2HfTa2 | Hf1 Ta2 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
3.65302644,
0,
0
],
[
0,
5.12926412,
0.13871952
],
[
-1.82651322,
-1.34346218,
4.94368683
]
] | agm003401509 | [
[
0,
0,
0
],
[
-0.0000018265132199064307,
1.2042027010888052,
3.671556870544297
],
[
1.8265150465132203,
2.581599238911195,
1.410849479455703
],
[
1.8265150465132198,
0.10590532587466238,
2.085119070605784
],
[
-0.0000018265132200042564,
3.6798... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}] | [
"Hf",
"Ta",
"Ta",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.4880712,
0,
0
],
[
0,
2.615622,
0.2154903
],
[
0,
0.21549042,
2.6618233
]
] | -43.203402 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0.00299862,
-0.00035406
],
[
0,
-0.00299862,
0.00035406
],
[
0,
-0.00065733,
0.00000749
],
[
0,
0.00065733,
-0.00000749
]
] | 0.000004 | 3.015894 | pbe | true | f58c478c6f68963591c9260da9daa410_12_Hf1Ta2Ge2 |
[
"Ge",
"Hg",
"Pr"
] | 8 | A4B3C | Ge4HgPr3 | Pr3 Hg1 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
4.43988041,
0,
0
],
[
0,
6.13153537,
-0.70864601
],
[
-2.21994021,
-2.16847278,
8.13506141
]
] | agm003549958 | [
[
0,
3.065767685,
-0.354323005
],
[
-1.88179392063848e-9,
0.3387292113602816,
2.9282308201160556
],
[
2.2199402018817938,
3.624333378639718,
4.498184579883945
],
[
2.219940205,
0,
0
],
[
-3.7167108456064264e-9,
1.8808873751385133,
5.6434569... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}] | [
"Pr",
"Pr",
"Pr",
"Hg",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.375
] | [
[
1.9217905,
0,
0
],
[
0,
1.9258825,
-0.03162823
],
[
0,
-0.03162842,
1.9410503
]
] | -37.523911 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
-0.00181309,
0.00069841
],
[
0,
0.00181309,
-0.00069841
],
[
0,
0,
0
],
[
0,
0.00555406,
-0.00083677
],
[
0,
-0.00555406,
0.00083677
],
[
0,
-0.00018544,
-0.00047062
],
[
0,
0.00... | -0 | 4.059224 | pbe | true | 04d57263296555348c191ff41000cca9_71_Pr3Hg1Ge4 |
[
"Ge",
"Ho",
"Ni"
] | 8 | A2BC | GeHoNi2 | Ge1 Ho1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
4.840241903,
0,
0
],
[
0,
4.123656071,
0
],
[
-1.487513126,
0,
6.424347631
]
] | oqmd-6866396 | [
[
3.621199999999999,
3.09274,
1.40924
],
[
-0.26846999999999993,
1.03091,
5.01511
],
[
1.09787,
1.03091,
1.7502299999999995
],
[
2.25486,
3.09274,
4.67411
],
[
3.389910000000001,
1.03091,
0.12391
],
[
3.53271,
1.03091,
2.847... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ge",
"Ge",
"Ho",
"Ho",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.98195405,
0,
2.2100807
],
[
0,
13.3732475,
0
],
[
2.2100807,
0,
-1.7282274
]
] | -44.9835 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.29606,
0,
-0.206749
],
[
0.29606,
0,
0.206749
],
[
0.018181,
0,
-0.166681
],
[
-0.018181,
0,
0.166681
],
[
-0.189296,
0,
0.18788
],
[
-0.139943,
0,
-0.090027
],
[
0.139943,
0,
0.090027
],
[
0.189... | -0.000617 | null | pbe | true | d6f075d0867920ba76d2ffb6fe009ed8_11_Ho2Ni4Ge2 |
[
"Ge",
"Ho",
"Ni"
] | 14 | A3B3C | Ge3HoNi3 | Ho2 Ni6 Ge6 | 3 | [
1,
1,
1
] | 3 | [
[
4.06381723,
0,
0
],
[
0,
8.18021205,
0.00002226
],
[
0,
-4.0901253,
7.08426031
]
] | agm003543402 | [
[
1.0159543075,
4.0900996409011245,
2.3614349197192066
],
[
3.0478629225,
-0.000012890901124973032,
4.7228476502807935
],
[
3.0478629225,
-2.612085219033863,
6.595519028540421
],
[
3.0478629225,
2.927804343184627,
6.0486329532970045
],
[
1.01595430... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ho",
"Ho",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.14285714285714285,
0.42857142857142855
] | [
[
-4.1031303,
0,
0
],
[
0,
-4.068902,
0.00004266
],
[
0,
-0.00004266,
-4.068902
]
] | -76.902652 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00014837,
0.00185905
],
[
0,
0.0015358,
-0.00105802
],
[
0,
0.00168418,
0.00080103
],
[
0,
-0.00168418,
-0.00080103
],
[
0,
-0.0015358,
0.00105802
],
[
0,
-0.00014... | 0 | 9.216091 | pbe | true | 49a8bb219ad7124d243c70854360ee30_176_Ho2Ni6Ge6 |
[
"Ge",
"Ho",
"Te"
] | 20 | A3BC | GeHo3Te | Ho12 Ge4 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
7.29637599,
-0.47003719,
-0.36843445
],
[
0.3309038,
9.13197349,
0.06651424
],
[
0.3309038,
2.24571653,
8.85178633
]
] | agm003717741 | [
[
4.425768196815611,
6.883256205224262,
-0.11880327127864922
],
[
7.180603388184388,
9.143966860330394,
1.6532345570976
],
[
3.532415393184389,
4.024396624775738,
8.668669391278648
],
[
0.7775802018156108,
1.763685969669606,
6.8966315629023995
],
[
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ge",
"Ge",
"Ge",
"Ge",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.6957072,
-0.01049358,
-0.0082253
],
[
-0.01049351,
0.71444,
0.02387158
],
[
-0.00822525,
0.02387158,
0.70269686
]
] | -101.928432 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00104085,
0.00036378,
-0.00123271
],
[
-0.00104085,
0.00111014,
-0.00064768
],
[
-0.00104085,
-0.00036378,
0.00123271
],
[
0.00104085,
-0.00111014,
0.00064768
],
[
0.00105983,
0.00305864,
-0.0015611
],
[
-0.00105983,
0.00078... | 0.000128 | 15.522657 | pbe | true | 1273bff5935feb237d7cb7d585f2ba9a_15_Ho12Ge4Te4 |
[
"Ge",
"In",
"K"
] | 6 | ABC | GeInK | K2 In2 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.30701183,
-2.48665444,
0
],
[
0,
4.97330888,
0
],
[
0,
0,
7.85609656
]
] | agm003084908 | [
[
0,
0,
2.484374031188015
],
[
0,
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[
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}] | [
"Ge",
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"In",
"In"
] | 2023-11-16 06:57:59 | [
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[
0,
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[
0,
0,
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] | 0 | 0.29319 | pbe | true | ab7f7ae2c6ff449857edddf1c4153f52_187_K2In2Ge2 |
[
"Ge",
"Ir",
"V"
] | 20 | A5B4C | Ge4IrV5 | V10 Ge8 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.64802663,
0,
0
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[
0,
8.85206829,
0
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[
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] | agm003653401 | [
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[
1.1599805362117168... | [{"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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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"Ge",
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-0.00206... | 0.000043 | 12.432308 | pbe | true | 3c005d7ef89ed4ac2c85b3dd962f3be2_59_V10Ge8Ir2 |
[
"Ge",
"La",
"Pt"
] | 8 | A2BC | GeLa2Pt | La4 Ge2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
6.07892109,
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[
0,
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] | agm003628600 | [
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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": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"La",
"La",
"La",
"La",
"Ge",
"Ge",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
0,
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[
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0.00233929,
0... | 0 | 2.905949 | pbe | true | 128c7d4093ba85a1f374eff125536f3f_11_La4Ge2Pt2 |
[
"Ge",
"Li",
"Te"
] | 10 | A2B2C | Ge2LiTe2 | Li2 Ge4 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
7.92005449,
0,
0
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[
0,
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0
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[
0,
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] | agm002990707 | [
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"Ge",
"Ge",
"Ge",
"Ge",
"Te",
"Te",
"Te",
"Te",
"Li",
"Li"
] | 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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0.000... | -0 | 4.45123 | pbe | true | d19abd1a0b176b4b89e451f49086eb18_127_Li2Ge4Te4 |
[
"Ge",
"Li",
"Zn"
] | 7 | A5BC | GeLi5Zn | Li5 Zn1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
5.08842269,
0,
0
],
[
0,
5.92078025,
0
],
[
-2.54421134,
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] | agm003758116 | [
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[
2.... | [{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Zn",
"Ge"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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[
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] | -14.482496 | [
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[
0.00096197,
0,
0
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[
0.00184124,
0,
0
]
] | 0.000463 | 2.921814 | pbe | true | c04c717b3f5a6c9554827919917b6b32_44_Li5Zn1Ge1 |
[
"Ge",
"Mg",
"Rh"
] | 4 | A2BC | GeMgRh2 | Mg1 Ge1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.1412957,
0,
0
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[
0,
4.27116068,
0
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[
0,
0,
4.27116068
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] | agm001214143 | [
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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": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ge",
"Rh",
"Rh",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
10.4068,
0
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[
0,
0,
10.4068
]
] | -23.358312 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000033 | 1.374276 | pbe | true | 29794d372dbe9d812539aa231fe07a16_123_Mg1Ge1Rh2 |
[
"Ge",
"Mg",
"Pr"
] | 4 | A2BC | Ge2MgPr | Pr1 Mg1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.22398376,
0,
0
],
[
0,
4.58791903,
0
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[
0,
0,
4.58791903
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] | agm001214111 | [
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] | [{"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": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Pr",
"Ge",
"Ge",
"Mg"
] | 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,
2.165681,
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[
0,
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] | -17.470454 | [
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 1.702177 | pbe | true | fc99c7ded25b3db277dc3b932ab418ba_123_Pr1Mg1Ge2 |
[
"Ge",
"Mg",
"Sm"
] | 6 | ABC | GeMgSm | Sm2 Mg2 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.30371586,
0.00000122,
-0.09991488
],
[
0.00006886,
4.15299816,
0.00292286
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[
0.18454309,
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] | agm003608863 | [
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[
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3.9601443764924626
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[
3.3201675830268296,
2.0788982888212044,
3.9132451335075378
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sm",
"Sm",
"Mg",
"Mg",
"Ge",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -24.439022 | [
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[
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[
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[
0.00067753,
0.001... | 0.000144 | 3.7838 | pbe | true | dcc9acfeb32d902bb3169ff1b0c2f538_63_Sm2Mg2Ge2 |
[
"Ge",
"Mn",
"Tc"
] | 10 | A2B2C | Ge2Mn2Tc | Mn4 Tc2 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
6.59045,
0,
0
],
[
0,
6.59045,
0
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[
0,
0,
3.29940259
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] | agm002996507 | [
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0
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[
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[
4.33948002307... | [{"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": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Ge",
"Ge",
"Ge",
"Ge",
"Mn",
"Mn",
"Mn",
"Mn",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
12.582668,
0,
0
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[
0,
12.582668,
0
],
[
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17.13112
]
] | -75.807115 | [
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3.04,
3.016,
3.04,
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0.39,
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[
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[
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[
0.00505864,
0.005... | 12.882753 | 7.322111 | pbe | true | 43236dd0c8bd10ced6de78a441861c02_127_Mn4Tc2Ge4 |
[
"Ge",
"Mn",
"Zn"
] | 7 | A4B2C | Ge2Mn4Zn | Mn4 Zn1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
2.77565387,
0,
-0.63983807
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[
-0.1987582,
3.73509638,
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[
0.61708127,
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9.0173058
]
] | agm006040940 | [
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0.5423345441031551,
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[
2.6516423958968454,
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[
2.3557360684797652,
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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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Mn",
"Mn",
"Mn",
"Mn",
"Zn",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
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[
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[
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] | -46.801787 | [
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] | [
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[
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[
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[
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... | -0.000535 | 4.270844 | pbe | true | 2079b46af66a93d2b92ef28dbc07cd9f_71_Mn4Zn1Ge2 |
[
"Ge",
"Na",
"Sn"
] | 4 | A2BC | GeNa2Sn | Na2 Sn1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
3.73446833,
0,
0
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[
0,
3.73446833,
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] | -0.000001 | 1.873151 | pbe | true | 69f66d9002bb00a0bea63f999bc0c24b_123_Na2Sn1Ge1 |
[
"Ge",
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1,
1,
1
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[
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0,
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[
0.00162818,... | 0.000001 | 7.45686 | pbe | true | 18700bc24b541d423965a51249592292_71_Pr4Nb2Ge6 |
[
"Ge",
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] | 12 | A3B2C | Ge3Nd2Pt | Nd4 Ge6 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | 2023-11-16 06:57:59 | [
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0.0005... | -0.000001 | 6.369612 | pbe | true | 20863df6063f017a1b550c4c93875897_69_Nd4Ge6Pt2 |
[
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] | 20 | A3BC | GeNi3Tm | Tm4 Ni12 Ge4 | 3 | [
1,
1,
1
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0
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[
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... | 0 | 5.230815 | pbe | true | 31f35d72bd99ac24cb2f39a91abad4fc_194_Tm4Ni12Ge4 |
[
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1,
1,
1
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[
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[
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[
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[
"Ge",
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1,
1,
1
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[
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[
0.01387977,
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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": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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[
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0.0029326... | -0 | 14.009745 | pbe | true | 1949f838b50271dbc7f4a40942a06e1e_14_Pm4Th8Ge12 |
[
"Ge",
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] | 20 | A3BC | GePt3Rh | Ge4 Pt12 Rh4 | 3 | [
1,
1,
1
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[
3.89339425,
0,
0
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[
0,
5.65523912,
0
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[
0,
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] | agm005845115 | [
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[
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1... | [{"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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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[
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[
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... | 0.000111 | 22.438814 | pbe | true | 56ae35a59ec0e626a536af87c35ea916_62_Ge4Pt12Rh4 |
[
"Ge",
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"Se"
] | 12 | ABC | GePtSe | Ge4 Pt4 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
6.31184966,
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[
0,
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] | agm001000072 | [
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[
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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0.0032... | -0.000001 | 0.481718 | pbe | true | 6e9f5bcca1378ced03a697532a2559c1_31_Ge4Pt4Se4 |
[
"Ge",
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] | 4 | A2BC | GePt2Ti | Ti1 Ge1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.93054804,
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[
1.96648278,
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[
1.9664908,
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] | agm002358446 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ge",
"Pt",
"Pt",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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],
[
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] | -27.230379 | [
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[
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[
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0.00007017
],
[
-4.3e-7,
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0.00000739
]
] | 0.000021 | 3.336677 | pbe | true | d1e5ee49de78ea384be42efdd2b93f2f_139_Ti1Ge1Pt2 |
[
"Ge",
"Pt",
"Tl"
] | 5 | A2B2C | Ge2Pt2Tl | Tl1 Ge2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.35133657,
0,
0
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[
0,
4.35133657,
0
],
[
2.17566829,
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] | agm002922993 | [
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[
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4.351336551935404,
4.0394819031677... | [{"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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Tl",
"Ge",
"Ge",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.4,
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0.2
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[
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[
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0,
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] | 0 | 2.298524 | pbe | true | 37ef1cc40f2eefad41413b39ea6bc661_139_Tl1Ge2Pt2 |
[
"Ge",
"S",
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] | 4 | A2BC | GeSTi2 | Ti2 Ge1 S1 | 3 | [
1,
1,
1
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[
0,
3.14680116,
3.14680116
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[
3.14680116,
0,
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3.14680116,
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] | agm002731651 | [
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[
1.57340058,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ge",
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"Ti"
] | 2023-11-16 06:57:59 | [
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0.5
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[
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] | -26.579547 | [
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[
0,
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[
0,
0,
0
]
] | 1.158807 | 4.361099 | pbe | true | cdd0e491b70c2adcb8b2b09938034d85_225_Ti2Ge1S1 |
[
"Ge",
"S",
"Tm"
] | 18 | A6B2C | Ge2S6Tm | Tm2 Ge4 S12 | 3 | [
1,
1,
1
] | 3 | [
[
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[
1.48938075,
8.25190044,
0.14394173
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[
1.48938075,
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]
] | agm003499279 | [
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[
6.1584... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.00382241... | 1.800548 | 11.212027 | pbe | true | a54287e95c384ada92936435f085b526_15_Tm2Ge4S12 |
[
"Ge",
"Sc",
"W"
] | 8 | A2BC | Ge2ScW | Sc2 Ge4 W2 | 3 | [
1,
1,
1
] | 3 | [
[
7.14454453,
0,
0
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[
0,
7.14454453,
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[
3.57227226,
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]
] | agm002887200 | [
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2.1857... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Ge",
"Ge",
"Ge",
"Ge",
"W",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
0,
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[
0,
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] | -0 | 5.901027 | pbe | true | 164093de7835b31276134de27e94e59a_122_Sc2Ge4W2 |
[
"Ge",
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"Zn"
] | 10 | A3BC | GeSe3Zn | Zn2 Ge2 Se6 | 3 | [
1,
1,
1
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[
3.7543415,
0,
0
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[
0.00000119,
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] | agm2000101734 | [
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[
3.7520443... | [{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
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"Ge",
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] | 2023-11-16 06:57:59 | [
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0.2
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4e-8,
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4e-8,
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[
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[
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[
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[
"Ge",
"Ta",
"V"
] | 20 | A3BC | GeTa3V | Ta12 V4 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
7.05427151,
0.83309674,
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[
4.18096684,
5.74250059,
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[
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] | agm003724035 | [
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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": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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-0.00260... | 0.000777 | 17.29748 | pbe | true | b531de6e52a5e6dbf2f35ddd747479cf_15_Ta12V4Ge4 |
[
"H",
"Hg",
"Ir"
] | 8 | A2BC | HHg2Ir | Hg4 H2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.1086521,
0
],
[
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"H",
"H",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -17.218096 | [
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[
0,
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[
0,
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0
]
] | 0 | 2.265664 | pbe | true | 12fe3f68ca3ca97349e5a15eb7196429_122_Hg4H2Ir2 |
[
"H",
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"La"
] | 80 | A12B5C3 | H12In5La3 | La12 In20 H48 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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[
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[
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] | agm001255073 | [
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[
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2.35993580... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
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[
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[
"H",
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] | 6 | ABC | HKTa | K2 Ta2 H2 | 3 | [
1,
1,
1
] | 3 | [
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2.88022404,
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[
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0.000093... | 0 | 2.238698 | pbe | true | 91191cb3e21498389ac92eec68843a56_2_K2Ta2H2 |
[
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1,
1
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0.127093579... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}] | [
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... | 7.257491 | 3.559541 | pbe | true | 1d7bbfe11929fbb24264885e933f6425_23_La1Mn2H8 |
[
"H",
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1,
1
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] | 0.000007 | 3.551013 | pbe | true | c4de8effbefc99237a3bd92c0da80ee4_227_P2H4N2 |
[
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1,
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2.1922... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
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[
"H",
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1,
1,
1
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9e-8,
0
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[
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[
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... | 0 | 5.368711 | pbe | true | 4d11227908cc54b7da7322252dc66d9d_12_Nb2Te6H1 |
[
"H",
"Se",
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1,
1,
1
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[
3.95331881,
0,
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[
0,
4.00357299,
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[
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5.... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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[
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[
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... | 0 | -0.004139 | pbe | true | d1e068c4e42955b06f813ed6e8fcb091_6_Y2H4Se2 |
[
"H",
"Ta",
"W"
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1,
1,
1
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0,
0
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[
0,
4.2027761,
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[
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"H",
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] | 0 | 3.712723 | pbe | true | 2070fdc0ceb4f662dd5344c19ba12178_221_Ta3H1W1 |
[
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1,
1,
1
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[
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[
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}] | [
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[
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[
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0.0005... | 0 | 9.425402 | pbe | true | bc4e0a3ff766696a5b583226bc4d14a1_15_Tm8Tl6H4 |
[
"Hf",
"In",
"U"
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1,
1,
1
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[
3.59794723,
0,
0
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[
0,
3.59794723,
0
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}] | [
"Hf",
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[
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[
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] | -33.180582 | [
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[
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[
0,
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[
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] | 1.826928 | 8.299375 | pbe | true | bb1f5499cc4b5965e0ef33a050e3aebe_123_Hf2U1In1 |
[
"Hf",
"In",
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] | 8 | A2BC | Hf2InRb | Rb2 Hf4 In2 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
4.5477613,
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[
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11.13424399
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] | agm002879339 | [
[
3.5675060410539996,
1.136940325,
2.7835609975
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[
0.9802552589460011,
3.4108209750000005,
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5.684701625000001,
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[
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2.27388065,
0... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Hf",
"Hf",
"Hf",
"Hf",
"Rb",
"Rb",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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0
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[
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2.8712025,
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[
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2.6653316
]
] | -38.828898 | [
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 8.28619 | pbe | true | 25b3bffb512b1b6369feeeb0090f2154_122_Rb2Hf4In2 |
[
"Hf",
"In",
"Zr"
] | 6 | A3B2C | Hf2In3Zr | Hf2 Zr1 In3 | 3 | [
1,
1,
1
] | 3 | [
[
4.45475945,
0,
0
],
[
0,
4.1913469,
-1.41716866
],
[
0,
0.03092749,
6.99811255
]
] | agm005726424 | [
[
0,
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0,
1.4124170068572186,
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[
2.227379725,
3.5117737... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Hf",
"Hf",
"Zr",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5,
0.16666666666666666
] | [
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[
0,
4.8367724,
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[
0,
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]
] | -37.948531 | [
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[
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[
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[
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0.00159372
],
[
0,
0,
0
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[
0,
-0.00053886,
-0.00159372
]
] | 0 | 4.225289 | pbe | true | 1c94a13806623cc11b3ca5b333f35ea4_65_Hf2Zr1In3 |
[
"Hf",
"Ir",
"Tc"
] | 12 | A6B5C | Hf6Ir5Tc | Hf6 Tc1 Ir5 | 3 | [
1,
1,
1
] | 3 | [
[
4.39038845,
-0.02530888,
1.4631315
],
[
0.03399381,
6.55136126,
0.01132906
],
[
0.00212623,
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7.31225961
]
] | agm006109250 | [
[
2.9482330450705074,
3.250372075367295,
5.847236925756739
],
[
1.502589477454712,
6.5387069629380195,
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0.00566453
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[
2.9239190125452876,
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5.863528676084156
],
[
1.478275444929... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Tc"
] | 2023-11-16 06:57:59 | [
0.5,
0.4166666666666667,
0.08333333333333333
] | [
[
6.743764,
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[
-0.00047851,
6.6528153,
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],
[
0.00540348,
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6.7293506
]
] | -124.937206 | [
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0,
0,
0,
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0,
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] | [
[
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[
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[
0.00034875,
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[
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[
0.00107003,
0.00402908,
-0.00314112
],
[
0.00102822,
-0.00402908,
... | -0.000001 | 8.88365 | pbe | true | 4926ad2d0dacaf4c859d8f27a4d7046b_65_Hf6Tc1Ir5 |
[
"Hf",
"K",
"Y"
] | 6 | ABC | HfKY | K2 Y2 Hf2 | 3 | [
1,
1,
1
] | 3 | [
[
18.0008662,
0,
-0.1115795
],
[
0,
3.41566215,
0
],
[
0.03899678,
0,
3.41499345
]
] | agm003087915 | [
[
15.660996858907062,
1.707831075,
3.1048011192337066
],
[
13.040014303211297,
0,
1.427281538846924
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[
5.244203228138195,
0,
1.4279878911152626
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[
9.534312615909556,
1.707831075,
3.193085707376219
],
[
1.952488467858518,
1.707831075,
3.... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"K",
"K",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.9641029,
0,
-0.01934361
],
[
0,
1.1570201,
0
],
[
-0.01934358,
0,
1.228892
]
] | -33.047797 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00373333,
0,
-0.0005735
],
[
-0.00374343,
0,
0.00191646
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[
0.00985644,
0,
0.00036204
],
[
-0.00243311,
0,
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],
[
-0.02022961,
0,
0.0025515
],
[
0.02028304,
0,
-0.00085113
]
] | 0.000408 | 8.440907 | pbe | true | c123be35ff8347edcfb915cf76c022d5_6_K2Y2Hf2 |
[
"Hf",
"Mn",
"Nb"
] | 4 | A2BC | Hf2MnNb | Hf2 Mn1 Nb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.17100004,
0,
0
],
[
0,
3.17100004,
0
],
[
0,
0,
7.17000715
]
] | agm001149845 | [
[
1.58550002,
1.58550002,
3.585003575
],
[
1.58550002,
1.58550002,
0
],
[
0,
0,
5.631805081590122
],
[
0,
0,
1.5382020684098774
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"Nb",
"Mn",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.7636447,
0,
0
],
[
0,
1.7636447,
0
],
[
0,
0,
1.706197
]
] | -39.255619 | [
-0.001,
0.009,
-0.001,
-0.001
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
-0.00084252
],
[
0,
0,
0.00084252
]
] | 0.004757 | 4.859956 | pbe | true | 1b209a65c044af3273b79018f632ec39_123_Hf2Mn1Nb1 |
[
"Hf",
"Mn",
"Pd"
] | 8 | A2BC | HfMn2Pd | Hf2 Mn4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.69159946,
0,
0
],
[
0,
3.69159946,
0
],
[
1.84579973,
1.84579973,
9.44078796
]
] | agm002854682 | [
[
3.04066895621685,
0.922899865,
2.36019699
],
[
0.65093050378315,
2.7686995949999997,
2.36019699
],
[
2.768699595,
2.49673023378315,
7.080590969999999
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[
4.614499325,
4.88646868621685,
7.080590969999999
],
[
0,
0,
0
],
[
3.691599... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Mn",
"Mn",
"Mn",
"Mn",
"Hf",
"Hf",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.257055,
0,
0
],
[
0,
4.257055,
0
],
[
0,
0,
4.6317434
]
] | -63.700564 | [
0.267,
0.267,
0.267,
0.267,
-0.037,
-0.037,
0.003,
0.003
] | [
[
0.00080693,
0,
0
],
[
-0.00080693,
0,
0
],
[
0,
-0.00080693,
0
],
[
0,
0.00080693,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.024702 | 8.793469 | pbe | true | bf81458ae93c6c29ae0927a1cf56ea65_122_Hf2Mn4Pd2 |
[
"Hf",
"Ni",
"Pm"
] | 4 | A2BC | HfNiPm2 | Pm2 Hf1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
3.39384217,
0,
0
],
[
1.69692109,
2.93915354,
0
],
[
1.69692109,
0.97971784,
10.33931653
]
] | agm002003670 | [
[
3.393842175,
1.9594356899999998,
5.169658265
],
[
0,
0,
0
],
[
1.69692280285262,
0.9797188315903802,
7.120653588039112
],
[
5.09076154714738,
2.93915254840962,
3.218662941960888
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Ni",
"Hf",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-1.7396064,
0,
0
],
[
0,
-1.7396064,
0
],
[
0,
0,
-1.759292
]
] | -23.649763 | [
0,
0.002,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00422308
],
[
0,
0,
-0.00422308
]
] | 0.003868 | 4.580961 | pbe | true | b8cc854b7f1e034148b55d92dca21b46_166_Pm2Hf1Ni1 |
[
"Hf",
"Ni",
"S"
] | 4 | A2BC | HfNi2S | Hf1 Ni2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.04893492,
3.04893492
],
[
3.04893492,
0,
3.04893492
],
[
3.04893492,
3.04893492,
0
]
] | agm002730955 | [
[
1.52446746,
1.52446746,
1.52446746
],
[
4.57340238,
4.57340238,
4.57340238
],
[
0,
0,
0
],
[
3.04893492,
3.04893492,
3.04893492
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"Ni",
"S",
"Hf"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-1.8214035,
0,
0
],
[
0,
-1.8214035,
0
],
[
0,
0,
-1.8214035
]
] | -25.984364 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.477731 | pbe | true | 22443a012a81cd1a1e821afbad341009_225_Hf1Ni2S1 |
[
"Hf",
"Ni",
"Tc"
] | 5 | A2B2C | HfNi2Tc2 | Hf1 Tc2 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
3.79233723,
0,
0
],
[
0,
3.79233723,
0
],
[
1.89616861,
1.89616861,
5.41389784
]
] | agm002937387 | [
[
3.7923372275,
1.8961686125,
2.70694892
],
[
1.8961686125,
3.7923372275,
2.70694892
],
[
0,
0,
0
],
[
1.8961686329152667,
1.8961686329152667,
1.133041383461884
],
[
3.792337207084733,
3.792337207084733,
4.280856456538116
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"Ni",
"Hf",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
-5.6611376,
0,
0
],
[
0,
-5.6611376,
0
],
[
0,
0,
-3.8962827
]
] | -41.930867 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00416181
],
[
0,
0,
0.00416181
]
] | 0 | 3.797783 | pbe | true | 40e892a56f5d885d12c53357e25e9fae_139_Hf1Tc2Ni2 |
[
"Hf",
"O",
"Rh"
] | 4 | A2BC | HfO2Rh | Hf1 Rh1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.81499327,
2.81499327
],
[
2.81499327,
0,
2.81499327
],
[
2.81499327,
2.81499327,
0
]
] | agm002717455 | [
[
0,
0,
0
],
[
2.81499327,
2.81499327,
2.81499327
],
[
1.407496635,
1.407496635,
1.407496635
],
[
4.222489905,
4.222489905,
4.222489905
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Hf",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.8016398,
0,
0
],
[
0,
1.8016398,
0
],
[
0,
0,
1.8016398
]
] | -32.071504 | [
0.802,
-0.042,
0.102,
0.102
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.984537 | 3.051638 | pbe | true | 738c53448737c503ad7395360ec3fadc_225_Hf1Rh1O2 |
[
"Hf",
"O",
"Sn"
] | 5 | A2B2C | Hf2O2Sn | Hf2 Sn1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
4.18844537,
0,
0
],
[
0,
4.18844537,
0
],
[
2.09422268,
2.09422268,
4.96606389
]
] | agm002938107 | [
[
4.1884453675,
2.0942226825,
2.483031945
],
[
2.0942226825,
4.1884453675,
2.483031945
],
[
0,
0,
0
],
[
2.094222683074352,
2.094222683074352,
1.9125783981726996
],
[
4.188445366925649,
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3.0534854918273
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Hf",
"Hf",
"Sn",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
1.6806694,
0,
0
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[
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1.6806694,
0
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[
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] | -42.536879 | [
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[
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[
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[
0,
0,
0.03837624
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[
0,
0,
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]
] | 0 | 0.525955 | pbe | true | 03893e7f7f9bf25f364dbec4fe745259_139_Hf2Sn1O2 |
[
"Hf",
"O",
"Ti"
] | 12 | A4BC | HfO4Ti | Hf2 Ti2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
4.73434944,
0,
0
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[
0,
5.11959135,
0
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[
0,
0,
5.68100575
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] | agm003210127 | [
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[
3.696024798... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
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"Ti",
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"O",
"O",
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"O",
"O"
] | 2023-11-16 06:57:59 | [
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[
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[
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... | -0.000002 | 0 | pbe | true | 0bcf885b1f81d6cc2bc88bbfde945578_18_Hf2Ti2O8 |
[
"Hf",
"Pa",
"Ru"
] | 3 | ABC | HfPaRu | Hf1 Pa1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.11925667,
0,
0
],
[
0,
4.6912361,
0
],
[
0,
-2.34561805,
4.06272963
]
] | agm001276990 | [
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Pa",
"Hf"
] | 2023-11-16 06:57:59 | [
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[
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4.2832985,
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[
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] | -29.158491 | [
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0
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[
0.00062439,
0,
0
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[
0.00161026,
0,
0
]
] | -0.00002 | 3.61498 | pbe | true | fa2159a999aca3c519029e9b3e897813_156_Hf1Pa1Ru1 |
[
"Hf",
"Pd",
"Tc"
] | 5 | A3BC | HfPdTc3 | Hf1 Tc3 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.67716374,
0,
0
],
[
0,
4.67716374,
0
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[
0,
0,
4.67716374
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] | agm002609502 | [
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Hf",
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"Tc",
"Tc",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.6
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[
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4.903006,
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[
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] | -36.770964 | [
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[
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[
0,
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[
0,
0,
0
]
] | -0 | 6.231918 | pbe | true | ce21e5c0fd76258e61ec5c7de6d4501d_221_Hf1Tc3Pd1 |
[
"Hf",
"Pt",
"Sc"
] | 8 | A4B3C | HfPt4Sc3 | Hf1 Sc3 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
3.20772577,
0,
0
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[
0,
4.74518658,
1e-8
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[
0,
0.00000102,
9.52653444
]
] | agm005919339 | [
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[
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[
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[
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2.3725940... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Sc",
"Sc",
"Sc",
"Hf",
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"Pt",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.125,
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0.375
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[
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0
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[
0,
5.0375257,
5.4e-7
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[
0,
5.4e-7,
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] | -62.560685 | [
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[
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[
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[
0,
0,
0
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[
0,
0,
0.00271757
]
] | 0.000003 | 4.660953 | pbe | true | f035cd6cc101a67288b870cd47d24f7a_47_Hf1Sc3Pt4 |
[
"Hf",
"Re",
"Ti"
] | 5 | A2B2C | Hf2ReTi2 | Hf2 Ti2 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
3.38956697,
0,
0
],
[
0,
3.38956697,
0
],
[
1.69478349,
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] | agm002948532 | [
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0,
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Re",
"Hf",
"Hf",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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0,
0
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[
0,
6.936086,
0
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[
0,
0,
9.107198
]
] | -46.115235 | [
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[
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[
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0,
0.0321303
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000096 | 6.356846 | pbe | true | 73d15fccd93ee032bc45227f5bb363c3_139_Hf2Ti2Re1 |
[
"Hf",
"Rh",
"Sc"
] | 8 | A2BC | HfRhSc2 | Hf2 Sc4 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.36557464,
-0.00105458,
0
],
[
-1.68207342,
5.60648071,
0
],
[
0,
0,
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]
] | agm003622849 | [
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[
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[
-0.... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Hf",
"Hf",
"Sc",
"Sc",
"Sc",
"Sc",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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0
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[
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5.2474904,
0
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[
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]
] | -63.733313 | [
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[
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-0.00680905
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[
-0.00134362,
0.00330384,
0.006809... | -0.000261 | 7.497793 | pbe | true | 484c4e63fb175d022462a4a429a1bf06_63_Hf2Sc4Rh2 |
[
"Hf",
"Sn",
"Zr"
] | 20 | A6B3C | Hf6Sn3Zr | Hf12 Zr2 Sn6 | 3 | [
1,
1,
1
] | 3 | [
[
7.54075172,
0,
0
],
[
0,
7.81790647,
0.736341
],
[
0,
-1.02679356,
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]
] | agm003574994 | [
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[
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Hf",
"Hf",
"Hf",
"Zr",
"Zr",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.6,
0.3,
0.1
] | [
[
3.622974,
0,
0
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[
0,
3.7757647,
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[
0,
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] | -163.495929 | [
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] | [
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[
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[
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[
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[
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... | 0.000007 | 11.983595 | pbe | true | e4f22bfc23ce93b0829b395258e705cd_36_Hf12Zr2Sn6 |
[
"Hg",
"Ir",
"Sc"
] | 18 | A5B2C2 | Hg2Ir2Sc5 | Sc10 Hg4 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
7.07556751,
0,
0
],
[
0,
6.26238544,
-3.21928454
],
[
0,
0.37035922,
8.42111582
]
] | agm005567435 | [
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0,
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[
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[
5.853560184215895,
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[
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2.8831487901596895,
0.6181055503096622
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[
2.3157764292158944,
6.01434151015969,
-0.991536719690337... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
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"Sc",
"Sc",
"Sc",
"Hg",
"Hg",
"Hg",
"Hg",
"Ir",
"Ir",
"Ir",
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] | 2023-11-16 06:57:59 | [
0.2222222222222222,
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] | [
[
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0,
0
],
[
0,
5.047908,
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],
[
0,
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] | -111.682548 | [
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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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[
0.00167928,
0.00191567,
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[
0.00167928,
-0.001... | -0.000003 | 12.668528 | pbe | true | 2557b8c251e96ff7649672e5dcf2d3c6_64_Sc10Hg4Ir4 |
[
"Hg",
"Li",
"Te"
] | 4 | A2BC | HgLi2Te | Li2 Hg1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.45415802,
-0.53170642,
0.41277666
],
[
2.6767886,
3.59958861,
0.41277666
],
[
1.80439175,
0.77628702,
6.28942423
]
] | agm004195680 | [
[
2.2338345925,
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1.7787443875
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[
1.8542050523058238,
0.7977177433353114,
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[
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1.9006538816646887,
4.131871386890763
],
[
6.7015037775,
2.8831269075,
5.3362331625
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}] | [
"Hg",
"Li",
"Li",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.5763292,
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[
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],
[
-0.00781933,
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]
] | -9.867416 | [
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0,
0
] | [
[
0,
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[
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],
[
-0.00124866,
-0.0005372,
0.00212187
],
[
0,
0,
0
]
] | 0 | -0.0142 | pbe | true | 34aaaef2450a5644ffd223de3eeb3599_12_Li2Hg1Te1 |
[
"Hg",
"Mg",
"Pb"
] | 18 | A5B2C2 | Hg2Mg5Pb2 | Mg10 Hg4 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
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0.008114... | 0 | 5.220113 | pbe | true | 7c89268de52e6d942cabd07ec3270643_64_Mg10Hg4Pb4 |
[
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1,
1,
1
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[
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1,
1,
1
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[
0,
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[
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] | 4.084277 | 4.77908 | pbe | true | 1bd6505c3b4453d85e7ba0f80a6bb90a_221_Ni3Hg1Mo1 |
[
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1,
1,
1
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0
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[
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
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] | -0.00002 | 1.16899 | pbe | true | 0546d47f192d613598196d84a6921fe0_123_Sr2Hg1N2 |
[
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1,
1,
1
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[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
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] | -7.449613 | [
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] | 0.000005 | 2.387459 | pbe | true | 1173ce46a40b31fbefafe9681b79744f_139_Na2Sr2Hg1 |
[
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1,
1,
1
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[
6.35646565,
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[
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[... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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[
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-0.0011... | 0.000182 | 12.602325 | pbe | true | 28e133d090cdb8174993d20677ec62e5_8_Pr8Ni1Hg2 |
[
"Hg",
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"Rh"
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1,
1,
1
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[
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[
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] | agm004225097 | [
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Hg",
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[
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[
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] | -16.59615 | [
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[
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[
0,
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[
0,
0,
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] | -0.000192 | 3.422294 | pbe | true | 8a67f9627cb9287b259099c77d1fd279_12_Hg2Os1Rh1 |
[
"Hg",
"Pt",
"W"
] | 4 | A2BC | HgPt2W | Hg1 Pt2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004411207 | [
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[
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[
0.7613518081183246,
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2.343301659414131... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Hg",
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"Pt",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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[
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[
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[
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] | -24.886989 | [
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[
0.01947363,
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0
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[
-0.01221944,
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0
]
] | 0 | 1.195068 | pbe | true | afcd2d63e110dac4f0fe9047820c4f84_44_Hg1Pt2W1 |
[
"Hg",
"Rh",
"Zr"
] | 10 | A2B2C | HgRh2Zr2 | Zr4 Hg2 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
7.89914809,
0,
0
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[
0,
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0
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[
0,
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] | agm003030940 | [
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[
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Rh",
"Rh",
"Rh",
"Hg",
"Hg",
"Zr",
"Zr",
"Zr",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
0,
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[
0,
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] | -68.329244 | [
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[
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... | 0.000005 | 8.622135 | pbe | true | c1f47c592e9ffd5ef5547f950ed044b9_127_Zr4Hg2Rh4 |
[
"Hg",
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1,
1,
1
] | 3 | [
[
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1.86019781,
6.94161098
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[
1.86019781,
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[
1.86019781,
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] | agm005417748 | [
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[
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2.330878189400636e-17,
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5.750906452680... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}] | [
"Tc",
"Hg",
"Hg",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
6.1672497,
0,
0
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[
0,
6.1672497,
0
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[
0,
0,
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]
] | -23.680662 | [
1.448,
0.012,
0.012,
1.022,
1.022
] | [
[
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[
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[
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[
0,
0,
0.00231364
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[
0,
0,
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]
] | 3.747799 | 5.686994 | pbe | true | 162bdc2ad6060e5975081b68a58f1aa4_139_Tc1Hg2Ru2 |
[
"Hg",
"Sc",
"Tb"
] | 8 | A4B3C | Hg4ScTb3 | Tb3 Sc1 Hg4 | 3 | [
1,
1,
1
] | 3 | [
[
3.66342411,
0,
0
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[
0,
3.66342411,
0
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[
0,
0,
14.90427469
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] | agm005961471 | [
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[
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[
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1.65194822... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Tb",
"Tb",
"Tb",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.375
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[
0,
2.9584012,
0
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[
0,
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2.9643583
]
] | -25.11681 | [
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0.087,
0.133,
0.007,
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0.009,
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[
0,
0,
0.00054248
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[
0,
0,
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] | 0.645339 | 8.57523 | pbe | true | c28fc1f124e2f4c8fa7ff04d966a704b_123_Tb3Sc1Hg4 |
[
"Hg",
"Sc",
"Y"
] | 6 | A3B2C | Hg3ScY2 | Y2 Sc1 Hg3 | 3 | [
1,
1,
1
] | 3 | [
[
3.63945919,
0,
0
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[
0,
3.63945919,
0
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[
0,
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11.1014635
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] | agm003436575 | [
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Sc",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
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3.6300616,
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[
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0.006,
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[
0,
0,
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[
0,
0,
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] | 0.214864 | 5.558826 | pbe | true | c74bd04f5aa3b83b208897f6e35f951c_123_Y2Sc1Hg3 |
[
"Hg",
"Se",
"Tc"
] | 8 | A2BC | HgSe2Tc | Tc2 Hg2 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
12.26342405,
0,
0.45697861
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[
3.27365741,
4.6535883,
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[
-3.27365741,
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] | agm003144426 | [
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3.67965874763301,
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[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Hg",
"Hg",
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"Se",
"Se",
"Se",
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"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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0.001,
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0.01492089,
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[
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-0.0005895... | 0 | 6.686284 | pbe | true | db964f64b0ae8166c216e64807f1b96b_9_Tc2Hg2Se4 |
[
"Hg",
"Se",
"Tc"
] | 8 | A2BC | HgSeTc2 | Tc4 Hg2 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
4.19638986,
0,
0
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[
0,
4.19638986,
0
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[
2.09819493,
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] | agm002889888 | [
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Hg",
"Hg",
"Se",
"Se",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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0
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[
0,
4.026855,
0
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[
0,
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] | -43.6218 | [
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0,
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[
0,
0.0033565,
0
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[
0,
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0
]
] | 0 | 5.851289 | pbe | true | e77d4b4a15f62f7fb0ab3fe6cd5acbad_122_Tc4Hg2Se2 |
[
"Hg",
"Si",
"Zr"
] | 3 | ABC | HgSiZr | Zr1 Si1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.14102361,
0,
0
],
[
-1.5705118,
2.72020624,
0
],
[
0,
0,
7.11206452
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] | agm004345290 | [
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0,
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2.4229251967161733
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[
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4.632831614945437
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Hg",
"Si",
"Zr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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0,
0
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[
0,
4.506801,
0
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[
0,
0,
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] | -14.040685 | [
0,
0,
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0,
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[
0,
0,
0.0029081
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[
0,
0,
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]
] | 0.000007 | 1.980126 | pbe | true | f504dc5a4285fefcc8ce32f2269b868e_156_Zr1Si1Hg1 |
[
"Hg",
"Ta",
"Te"
] | 8 | A2BC | HgTaTe2 | Ta2 Hg2 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
26.53030382,
0,
1.1265636
],
[
6.98669623,
3.12873712,
-1.28489253
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[
-6.98669623,
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1.28489253
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] | agm003149491 | [
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4.502888339802808,
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24.75473647980281,
3.7469543933616976,
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[
15.098397013231779,
3.7472911080505518,
1.3394277767929408
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[... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Te",
"Te",
"Te",
"Te",
"Hg",
"Hg",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
0,
1.9861288,
0
],
[
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] | -37.106944 | [
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[
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[
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0.00027184
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[
-0.00044127,
0.0012772... | 0.000233 | 5.700571 | pbe | true | 71882bf512d284289ce405a59710d9b8_15_Ta2Hg2Te4 |
[
"Hg",
"Tl",
"Zn"
] | 12 | A4BC | Hg4TlZn | Tl2 Zn2 Hg8 | 3 | [
1,
1,
1
] | 3 | [
[
6.67072867,
0.0000038,
1.88957698
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[
0.00000334,
6.67609633,
0.00000133
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[
2.89568354,
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]
] | agm005855775 | [
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[
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[
4.783206105,
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[
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[
6.886730654455261,
3.8761142303390947,
3.3433454134321736
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[
6.015048069964... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Tl",
"Tl",
"Zn",
"Zn",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
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[
0.00000542,
5.618168,
0.00000128
],
[
-0.27668822,
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] | -8.978915 | [
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[
0.00188069,
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[
-0.00188069,
-0.00... | 0 | 4.310304 | pbe | true | eb5d001fa4c5dda6e7b143345aee8d88_14_Tl2Zn2Hg8 |
[
"Ho",
"In",
"Pm"
] | 28 | A3B3C | HoIn3Pm3 | Pm12 Ho4 In12 | 3 | [
1,
1,
1
] | 3 | [
[
9.47379821,
0,
0
],
[
0,
9.47379821,
0
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[
0,
0,
9.47379821
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] | agm005977550 | [
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7.850248778876954,
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8.814396180590851,
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3.0693332705375087
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[
1.623549431123046,
7.850248778876954,
3.113349673876954
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[
1... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
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"In",
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"In",
"In",
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"In",
"In",
"In",
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"In"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] | [
[
1.9010316,
0,
0
],
[
0,
1.9010316,
0
],
[
0,
0,
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]
] | -117.395333 | [
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0
] | [
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[
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[
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[
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],
[
0.00275318,
0.00275318,
0.00275318
],
[
-0.00275318,
-0.002753... | -0 | 32.54869 | pbe | true | 17144a912e5301bba441bd4283e7f60e_198_Pm12Ho4In12 |
[
"Ho",
"In",
"Sm"
] | 20 | A3BC | Ho3InSm | Sm4 Ho12 In4 | 3 | [
1,
1,
1
] | 3 | [
[
6.37827666,
0.49467031,
0.61433117
],
[
0.911666,
9.69479157,
1.5291945
],
[
0.911666,
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9.79785082
]
] | agm003706560 | [
[
4.443061192861242,
5.117400729653174,
7.700279909386546
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[
6.947685797138758,
3.4313198859678113,
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[
1.253922862861242,
6.184087364032188,
6.335040772426395
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[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
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"Ho",
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] | 2023-11-16 06:57:59 | [
0.6,
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[
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-0.00100... | 0.000006 | 26.416706 | pbe | true | 59a228f38b11a51d3a4332bc5bae372b_15_Sm4Ho12In4 |
[
"Ho",
"In",
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] | 14 | A8B5C | Ho8InTm5 | Ho8 Tm5 In1 | 3 | [
1,
1,
1
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[
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0.000... | 0.000424 | 18.489311 | pbe | true | 3578c05fdf5b04f269c9b6120d99d2dc_82_Ho8Tm5In1 |
[
"Ho",
"La",
"Y"
] | 16 | A14BC | Ho14LaY | La1 Y1 Ho14 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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1.731682265087501... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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-0.00088594... | -0.000005 | 20.215784 | pbe | true | c4553d4d70ca729a65c30c02225c2a16_38_La1Y1Ho14 |
[
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1,
1,
1
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[
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[
0.0... | -0 | 5.265284 | pbe | true | b9f7ae6566899c5736508949b1d3eb8e_148_Li8Ho1Pd6 |
[
"Ho",
"Lu",
"Nb"
] | 3 | ABC | HoLuNb | Ho1 Lu1 Nb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.545866638,
3.545866638
],
[
3.545866638,
0,
3.545866638
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[
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"Ho",
"Lu",
"Nb"
] | 2024-11-01 00:00:00 | [
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] | 2.08655 | null | pbe | true | 5572c57a1cb6f2050acf7d3178a8e38b_216_Ho1Lu1Nb1 |
[
"Ho",
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1,
1,
1
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0,
0
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[
1.57527526,
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1.57527526,
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[
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[
0,
0,
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] | 0.001554 | 5.490468 | pbe | true | 4054947343df969018e6ed299ea21ef9_166_Ho1Mg2Pa1 |
[
"Ho",
"Mg",
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1,
1,
1
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[
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0,
0
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[
3.00870247,
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[
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... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
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[
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[
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] | 5.864814 | 12.524041 | pbe | true | 01a841beb793dd7210b158cd97d8e1e7_216_Ho1Pu1Mg4 |
[
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1,
1,
1
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[
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0,
0
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[
1.90677718,
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] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Mg",
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[
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[
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[
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] | -0.000006 | 2.540662 | pbe | true | 19f127e1ebe69c6a664b4747a1586ba9_166_Ho2Mg1Rh1 |
[
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] | 11 | A8B2C | Ho8MgTl2 | Ho8 Mg1 Tl2 | 3 | [
1,
1,
1
] | 3 | [
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[
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[
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] | agm003522398 | [
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[
1... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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-0.000... | 0.003339 | 13.774432 | pbe | true | 16423195897e655182c8be8fdcb20fb3_12_Ho8Mg1Tl2 |
[
"Ho",
"N",
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1,
1,
1
] | 3 | [
[
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0
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[
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[
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] | agm006029013 | [
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... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
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"Pm",
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[
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0.0024729,... | 0.000001 | 1.443898 | pbe | true | 8c788f4d95d0adfa824189a2594b889b_13_Pm6Ho2N8 |
[
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] | 20 | A15B4C | HoNd15Sc4 | Nd15 Ho1 Sc4 | 3 | [
1,
1,
1
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0
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[
0,
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[
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] | agm006036910 | [
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[
2.5... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
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-0.0011... | -0.000028 | 23.638964 | pbe | true | 9bd37f6b0091e153ffe6376ea3fb34ae_123_Nd15Ho1Sc4 |
[
"Ho",
"Ni",
"Tm"
] | 7 | A4B2C | HoNi2Tm4 | Ho1 Tm4 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ho",
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] | 2023-11-16 06:57:59 | [
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] | 0.00059 | 7.343235 | pbe | true | 0ed41b74c4db39d28e45be2da96c604a_166_Ho1Tm4Ni2 |
[
"Ho",
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] | 8 | A2BC | Ho2OSe | Ho4 Se2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}] | [
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[
3.7e-7,
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],... | 0.338992 | 4.553698 | pbe | true | 1a3b744e98c61b53e8ab0e4ff1ee4315_31_Ho4Se2O2 |
[
"Ho",
"Pa",
"Pr"
] | 6 | ABC | HoPaPr | Pr2 Ho2 Pa2 | 3 | [
1,
1,
1
] | 3 | [
[
3.99190084,
0,
0
],
[
0,
3.99190084,
0
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[
0,
0,
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] | agm001067115 | [
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[
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0.72758439031498... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
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[
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[
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] | 0.000186 | 11.384626 | pbe | true | fc373bd1694e240a530c324b93b47f27_129_Pr2Ho2Pa2 |
[
"Ho",
"Pb",
"Tm"
] | 9 | A6B2C | Ho2PbTm6 | Ho2 Tm6 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.49469585,
0,
0
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[
1.74734792,
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[
1.74734793,
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3.494694103826481,
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[
... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ho",
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"Tm",
"Tm",
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] | 2023-11-16 06:57:59 | [
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[
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[
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... | 0.000202 | 13.372199 | pbe | true | 6d33a5ece96d18622cad4038a970d720_12_Ho2Tm6Pb1 |
[
"Ho",
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"Sm"
] | 14 | A3B3C | Ho3Pr3Sm | Pr6 Sm2 Ho6 | 3 | [
1,
1,
1
] | 3 | [
[
5.81360298,
0,
0
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[
0,
9.71666301,
-4e-8
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[
0,
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] | agm003542315 | [
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[
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0.7216... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
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"Sm",
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] | 2023-11-16 06:57:59 | [
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... | 0.000431 | 24.841953 | pbe | true | 648b417caa81b74d8175de9c9b24f7da_176_Pr6Sm2Ho6 |
[
"Ho",
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"Y"
] | 20 | A6B3C | Ho6Pr3Y | Pr6 Y2 Ho12 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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-0.0... | 0.000009 | 25.814354 | pbe | true | b7070db4d0fbe67ba4827755a1b46901_36_Pr6Y2Ho12 |