instruction stringclasses 1
value | input stringlengths 178 510 | id stringlengths 6 9 | peak_text stringlengths 13 336 | output stringlengths 63 821 |
|---|---|---|---|---|
Below is a description of a material. | The chemical formula is: K3H5Pt.
The Raman spectrum shows main peaks at: 283.9cm-1(0.1), 298.2cm-1(0.16), 317.3cm-1(0.2), 742.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-642821 | 283.9cm-1(0.1), 298.2cm-1(0.16), 317.3cm-1(0.2), 742.2cm-1(1.0) | 7.27 7.27 5.66
90 90 90
K 0.500 0.500 0.000
K 0.000 0.000 0.000
K 0.684 0.184 0.500
K 0.316 0.816 0.500
K 0.816 0.684 0.500
K 0.184 0.316 0.500
H 0.500 0.500 0.500
H 0.000 0.000 0.500
H 0.115 0.615 0.797
H 0.885 0.385 0.797
H 0.385 0.115 0.797
H 0.615 0.885 0.797
H 0.885 0.385 0.203
H 0.115 0.615 0.203
H 0.615 0.885 0.... |
Below is a description of a material. | The chemical formula is: NdOF.
The Raman spectrum shows main peaks at: 102.5cm-1(0.04), 193.2cm-1(0.07), 274.4cm-1(0.07), 431.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-5634 | 102.5cm-1(0.04), 193.2cm-1(0.07), 274.4cm-1(0.07), 431.9cm-1(1.0) | 6.92 6.92 6.92
33 33 33
O 0.122 0.122 0.122
O 0.878 0.878 0.878
F 0.630 0.630 0.630
F 0.370 0.370 0.370
Nd 0.242 0.242 0.242
Nd 0.758 0.758 0.758 |
Below is a description of a material. | The chemical formula is: Tl10Hg3Cl16.
The Raman spectrum shows main peaks at: 64.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-573974 | 64.3cm-1(1.0) | 13.15 13.15 13.15
143 143 52
Tl 0.925 0.455 0.202
Tl 0.455 0.253 0.529
Tl 0.747 0.277 0.202
Tl 0.731 0.731 1.000
Tl 0.075 0.545 0.798
Tl 0.545 0.747 0.471
Tl 0.277 0.075 0.529
Tl 0.723 0.925 0.471
Tl 0.269 0.269 0.000
Tl 0.253 0.723 0.798
Hg 0.000 0.000 0.000
Hg 0.250 0.750 0.500
Hg 0.750 0.250 0.500
Cl 0.401 0.401 0.0... |
Below is a description of a material. | The chemical formula is: NaMgF3.
The Raman spectrum shows main peaks at: 140.7cm-1(0.24), 178.9cm-1(0.38), 231.4cm-1(1.0), 355.5cm-1(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-2955 | 140.7cm-1(0.24), 178.9cm-1(0.38), 231.4cm-1(1.0), 355.5cm-1(0.35) | 5.51 7.67 5.35
90 90 90
F 0.295 0.451 0.702
F 0.205 0.549 0.202
F 0.795 0.049 0.798
F 0.705 0.951 0.298
F 0.705 0.549 0.298
F 0.795 0.451 0.798
F 0.205 0.951 0.202
F 0.295 0.049 0.702
F 0.469 0.250 0.093
F 0.031 0.750 0.593
F 0.969 0.250 0.407
F 0.531 0.750 0.907
Na 0.951 0.750 0.013
Na 0.549 0.250 0.513
Na 0.451 0.750... |
Below is a description of a material. | The chemical formula is: K3Cu3As2.
The Raman spectrum shows main peaks at: 116.8cm-1(0.05), 207.5cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-14205 | 116.8cm-1(0.05), 207.5cm-1(1.0) | 7.54 7.54 7.54
44 44 44
K 0.089 0.089 0.089
K 0.911 0.911 0.911
K 0.500 0.500 0.500
Cu 0.500 0.500 0.000
Cu -0.000 0.500 0.500
Cu 0.500 1.000 0.500
As 0.748 0.748 0.748
As 0.252 0.252 0.252 |
Below is a description of a material. | The chemical formula is: LiInP2O7.
The Raman spectrum shows main peaks at: 107.3cm-1(0.05), 169.3cm-1(0.06), 245.7cm-1(0.4), 307.8cm-1(0.17), 350.8cm-1(0.33), 365.1cm-1(0.45), 422.4cm-1(0.19), 451.0cm-1(0.08), 494.0cm-1(0.99), 522.6cm-1(1.0), 579.9cm-1(0.61), 718.3cm-1(0.57), 909.3cm-1(0.58), 923.6cm-1(0.19), 990.5cm-1... | mp-8491 | 107.3cm-1(0.05), 169.3cm-1(0.06), 245.7cm-1(0.4), 307.8cm-1(0.17), 350.8cm-1(0.33), 365.1cm-1(0.45), 422.4cm-1(0.19), 451.0cm-1(0.08), 494.0cm-1(0.99), 522.6cm-1(1.0), 579.9cm-1(0.61), 718.3cm-1(0.57), 909.3cm-1(0.58), 923.6cm-1(0.19), 990.5cm-1(0.32) | 4.92 8.47 7.10
90 109 90
Li 0.188 0.609 0.668
Li 0.812 0.109 0.332
O 0.209 0.786 0.494
O 0.791 0.286 0.506
O 0.768 0.587 0.497
O 0.232 0.087 0.503
O 0.594 0.915 0.764
O 0.406 0.415 0.236
O 0.069 0.065 0.870
O 0.931 0.565 0.130
O 0.137 0.457 0.875
O 0.863 0.957 0.125
O 0.634 0.192 0.921
O 0.366 0.692 0.079
O 0.391 0.435... |
Below is a description of a material. | The chemical formula is: LiDyO2.
The Raman spectrum shows main peaks at: 150.3cm-1(0.06), 288.7cm-1(0.25), 312.6cm-1(0.08), 355.5cm-1(0.29), 379.4cm-1(0.7), 393.7cm-1(0.8), 479.6cm-1(0.26), 498.7cm-1(1.0), 675.4cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-976726 | 150.3cm-1(0.06), 288.7cm-1(0.25), 312.6cm-1(0.08), 355.5cm-1(0.29), 379.4cm-1(0.7), 393.7cm-1(0.8), 479.6cm-1(0.26), 498.7cm-1(1.0), 675.4cm-1(0.04) | 11.08 3.35 5.25
90 90 90
Li 0.068 0.250 0.097
Li 0.568 0.250 0.403
Li 0.432 0.750 0.597
Li 0.932 0.750 0.903
Dy 0.360 0.250 0.048
Dy 0.860 0.250 0.452
Dy 0.140 0.750 0.548
Dy 0.640 0.750 0.952
O 0.706 0.250 0.189
O 0.475 0.750 0.242
O 0.975 0.750 0.258
O 0.206 0.250 0.311
O 0.794 0.750 0.689
O 0.025 0.250 0.742
O 0.525... |
Below is a description of a material. | The chemical formula is: K2Sn2Hg3S8.
The Raman spectrum shows main peaks at: 78.6cm-1(0.06), 102.5cm-1(0.09), 169.3cm-1(1.0), 264.8cm-1(0.19), 283.9cm-1(0.8), 303.0cm-1(0.4), 331.7cm-1(0.59).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-18115 | 78.6cm-1(0.06), 102.5cm-1(0.09), 169.3cm-1(1.0), 264.8cm-1(0.19), 283.9cm-1(0.8), 303.0cm-1(0.4), 331.7cm-1(0.59) | 19.57 6.50 6.50
98 90 90
S 0.633 0.405 0.240
S 0.367 0.240 0.405
S 0.867 0.905 0.740
S 0.133 0.740 0.905
S 0.876 0.307 0.330
S 0.124 0.330 0.307
S 0.624 0.807 0.830
S 0.376 0.830 0.807
S 0.970 0.772 0.234
S 0.030 0.234 0.772
S 0.530 0.272 0.734
S 0.470 0.734 0.272
S 0.767 0.792 0.217
S 0.233 0.217 0.792
S 0.267 0.717 0... |
Below is a description of a material. | The chemical formula is: LaAgO2.
The Raman spectrum shows main peaks at: 307.8cm-1(1.0), 579.9cm-1(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-753260 | 307.8cm-1(1.0), 579.9cm-1(0.22) | 6.45 6.45 6.45
34 34 34
La 0.500 0.500 0.500
Ag 0.000 0.000 0.000
O 0.889 0.889 0.889
O 0.111 0.111 0.111 |
Below is a description of a material. | The chemical formula is: Yb4As2O.
The Raman spectrum shows main peaks at: 64.3cm-1(0.19), 102.5cm-1(0.99), 116.8cm-1(1.0), 178.9cm-1(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9799 | 64.3cm-1(0.19), 102.5cm-1(0.99), 116.8cm-1(1.0), 178.9cm-1(0.19) | 8.06 8.06 8.06
148 148 45
O 0.000 0.000 0.000
As 0.637 0.637 1.000
As 0.363 0.363 0.000
Yb 0.831 0.831 1.000
Yb 0.169 0.169 0.000
Yb 0.500 0.000 0.500
Yb 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiSe2O6.
The Raman spectrum shows main peaks at: 164.6cm-1(0.04), 207.5cm-1(0.05), 279.1cm-1(0.06), 312.6cm-1(0.16), 384.2cm-1(0.32), 465.3cm-1(0.42), 494.0cm-1(0.11), 646.7cm-1(1.0), 656.3cm-1(0.84), 670.6cm-1(0.46), 842.5cm-1(0.25), 871.1cm-1(0.09), 890.2cm-1(0.12).
Generate atomic structure ... | mp-29260 | 164.6cm-1(0.04), 207.5cm-1(0.05), 279.1cm-1(0.06), 312.6cm-1(0.16), 384.2cm-1(0.32), 465.3cm-1(0.42), 494.0cm-1(0.11), 646.7cm-1(1.0), 656.3cm-1(0.84), 670.6cm-1(0.46), 842.5cm-1(0.25), 871.1cm-1(0.09), 890.2cm-1(0.12) | 4.77 8.35 6.79
90 110 90
O 0.827 0.842 0.088
O 0.173 0.342 0.412
O 0.173 0.158 0.912
O 0.827 0.658 0.588
O 0.397 0.946 0.248
O 0.603 0.446 0.252
O 0.765 0.343 0.676
O 0.235 0.843 0.824
O 0.235 0.657 0.324
O 0.765 0.157 0.176
O 0.397 0.554 0.748
O 0.603 0.054 0.752
Ti 0.500 0.500 0.500
Ti 0.500 0.000 -0.000
Se 0.873 0.3... |
Below is a description of a material. | The chemical formula is: ZrIN.
The Raman spectrum shows main peaks at: 107.3cm-1(0.18), 164.6cm-1(0.31), 279.1cm-1(0.05), 532.2cm-1(1.0), 560.8cm-1(0.94).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-580886 | 107.3cm-1(0.18), 164.6cm-1(0.31), 279.1cm-1(0.05), 532.2cm-1(1.0), 560.8cm-1(0.94) | 10.81 10.81 10.81
19 19 19
Zr 0.793 0.793 0.793
Zr 0.207 0.207 0.207
I 0.391 0.391 0.391
I 0.609 0.609 0.609
N 0.139 0.139 0.139
N 0.861 0.861 0.861 |
Below is a description of a material. | The chemical formula is: KRb2ScF6.
The Raman spectrum shows main peaks at: 226.6cm-1(0.42), 379.4cm-1(0.04), 494.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-6500 | 226.6cm-1(0.42), 379.4cm-1(0.04), 494.0cm-1(1.0) | 6.35 6.46 11.02
90 125 90
F 0.135 0.247 0.457
F 0.865 0.747 0.043
F 0.865 0.753 0.543
F 0.135 0.253 0.957
F 0.779 0.317 0.534
F 0.221 0.817 0.966
F 0.221 0.683 0.466
F 0.779 0.183 0.034
F 0.289 0.026 0.217
F 0.711 0.526 0.283
F 0.711 0.974 0.783
F 0.289 0.474 0.717
K 0.500 0.000 0.500
K 0.500 0.500 -0.000
Sc 0.000 0.00... |
Below is a description of a material. | The chemical formula is: PrGeBO5.
The Raman spectrum shows main peaks at: 183.7cm-1(0.03), 231.4cm-1(0.04), 331.7cm-1(0.1), 365.1cm-1(0.31), 532.2cm-1(0.06), 713.6cm-1(0.72), 756.5cm-1(0.39), 780.4cm-1(1.0), 799.5cm-1(0.23), 828.1cm-1(0.11), 904.5cm-1(0.05), 966.6cm-1(0.16).
Generate atomic structure description with l... | mp-10080 | 183.7cm-1(0.03), 231.4cm-1(0.04), 331.7cm-1(0.1), 365.1cm-1(0.31), 532.2cm-1(0.06), 713.6cm-1(0.72), 756.5cm-1(0.39), 780.4cm-1(1.0), 799.5cm-1(0.23), 828.1cm-1(0.11), 904.5cm-1(0.05), 966.6cm-1(0.16) | 6.96 6.96 6.78
90 90 120
B 0.566 0.215 0.637
B 0.649 0.434 0.304
B 0.785 0.351 0.971
O 0.827 0.881 0.655
O 0.053 0.173 0.321
O 0.119 0.947 0.988
O 0.736 0.378 0.767
O 0.622 0.357 0.101
O 0.643 0.264 0.434
O 0.020 0.530 0.012
O 0.470 0.490 0.345
O 0.510 0.980 0.678
O 0.851 0.660 0.334
O 0.340 0.191 0.667
O 0.809 0.149 0... |
Below is a description of a material. | The chemical formula is: Sr4PtO6.
The Raman spectrum shows main peaks at: 245.7cm-1(0.04), 341.2cm-1(0.08), 369.8cm-1(0.05), 527.4cm-1(0.93), 536.9cm-1(0.71), 560.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4598 | 245.7cm-1(0.04), 341.2cm-1(0.08), 369.8cm-1(0.05), 527.4cm-1(0.93), 536.9cm-1(0.71), 560.8cm-1(1.0) | 6.85 6.85 6.85
90 90 90
O 0.573 0.441 0.786
O 0.441 0.786 0.573
O 0.786 0.573 0.441
O 0.927 0.714 0.059
O 0.714 0.059 0.927
O 0.059 0.927 0.714
O 0.427 0.559 0.214
O 0.559 0.214 0.427
O 0.214 0.427 0.559
O 0.073 0.286 0.941
O 0.941 0.073 0.286
O 0.286 0.941 0.073
Sr 0.750 0.382 0.118
Sr 0.382 0.118 0.750
Sr 0.118 0.750... |
Below is a description of a material. | The chemical formula is: NdSeF.
The Raman spectrum shows main peaks at: 164.6cm-1(0.44), 255.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-12620 | 164.6cm-1(0.44), 255.3cm-1(1.0) | 3.99 3.99 7.11
90 90 90
F 0.500 0.500 0.000
F 0.000 0.000 0.000
Se 0.000 0.500 0.644
Se 0.500 0.000 0.356
Nd 0.500 0.000 0.784
Nd 0.000 0.500 0.216 |
Below is a description of a material. | The chemical formula is: Cs2PtF6.
The Raman spectrum shows main peaks at: 183.7cm-1(0.31), 560.8cm-1(0.5), 575.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9262 | 183.7cm-1(0.31), 560.8cm-1(0.5), 575.1cm-1(1.0) | 6.34 6.34 6.34
60 60 60
F 0.218 0.782 0.782
F 0.782 0.218 0.782
F 0.218 0.782 0.218
F 0.782 0.218 0.218
F 0.218 0.218 0.782
F 0.782 0.782 0.218
Cs 0.750 0.750 0.750
Cs 0.250 0.250 0.250
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pb3I2O2.
The Raman spectrum shows main peaks at: 78.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-619661 | 78.6cm-1(1.0) | 17.75 5.93 7.45
90 90 90
Pb 0.162 0.750 0.027
Pb 0.662 0.750 0.473
Pb 0.472 0.750 0.651
Pb 0.028 0.250 0.151
Pb 0.528 0.250 0.349
Pb 0.393 0.750 0.206
Pb 0.893 0.750 0.294
Pb 0.107 0.250 0.706
Pb 0.338 0.250 0.527
Pb 0.607 0.250 0.794
Pb 0.972 0.750 0.849
Pb 0.838 0.250 0.973
I 0.065 0.750 0.410
I 0.935 0.250 0.590
I 0... |
Below is a description of a material. | The chemical formula is: Na2Mn2S3.
The Raman spectrum shows main peaks at: 88.2cm-1(0.15), 126.4cm-1(0.4), 140.7cm-1(0.4), 164.6cm-1(0.85), 183.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28079 | 88.2cm-1(0.15), 126.4cm-1(0.4), 140.7cm-1(0.4), 164.6cm-1(0.85), 183.7cm-1(1.0) | 9.41 9.41 5.87
107 107 83
Na 0.184 0.015 0.053
Na 0.985 0.816 0.447
Na 0.816 0.985 0.947
Na 0.015 0.184 0.553
Na 0.291 0.709 0.250
Na 0.709 0.291 0.750
Na 0.563 0.437 0.250
Na 0.437 0.563 0.750
S 0.014 0.756 0.937
S 0.756 0.014 0.437
S 0.986 0.244 0.063
S 0.851 0.430 0.549
S 0.570 0.149 0.951
S 0.149 0.570 0.451
S 0.24... |
Below is a description of a material. | The chemical formula is: PtO2.
The Raman spectrum shows main peaks at: 498.7cm-1(1.0), 536.9cm-1(0.62).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7868 | 498.7cm-1(1.0), 536.9cm-1(0.62) | 3.12 3.12 8.88
90 90 120
O 0.000 0.000 0.105
O 0.000 0.000 0.605
O 0.333 0.667 0.395
O 0.667 0.333 0.895
Pt 0.667 0.333 0.500
Pt 0.333 0.667 1.000 |
Below is a description of a material. | The chemical formula is: Tl3BO3.
The Raman spectrum shows main peaks at: 102.5cm-1(0.99), 140.7cm-1(0.45), 207.5cm-1(0.18), 231.4cm-1(0.34), 551.3cm-1(0.6), 885.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4584 | 102.5cm-1(0.99), 140.7cm-1(0.45), 207.5cm-1(0.18), 231.4cm-1(0.34), 551.3cm-1(0.6), 885.4cm-1(1.0) | 9.22 9.22 3.69
90 90 120
B 0.667 0.333 0.750
B 0.333 0.667 0.250
O 0.593 0.433 0.750
O 0.160 0.593 0.250
O 0.433 0.840 0.250
O 0.567 0.160 0.750
O 0.407 0.567 0.250
O 0.840 0.407 0.750
Tl 0.053 0.703 0.750
Tl 0.350 0.053 0.250
Tl 0.703 0.650 0.250
Tl 0.297 0.350 0.750
Tl 0.650 0.947 0.750
Tl 0.947 0.297 0.250 |
Below is a description of a material. | The chemical formula is: YbBr2.
The Raman spectrum shows main peaks at: 59.5cm-1(0.32), 116.8cm-1(0.46), 150.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-571232 | 59.5cm-1(0.32), 116.8cm-1(0.46), 150.3cm-1(1.0) | 6.49 7.94 7.11
90 90 90
Yb 0.000 0.646 0.250
Yb 0.500 0.146 0.250
Yb 0.500 0.854 0.750
Yb 0.000 0.354 0.750
Br 0.757 0.610 0.922
Br 0.257 0.890 0.078
Br 0.743 0.110 0.922
Br 0.243 0.610 0.578
Br 0.243 0.390 0.078
Br 0.757 0.390 0.422
Br 0.743 0.890 0.422
Br 0.257 0.110 0.578 |
Below is a description of a material. | The chemical formula is: DyTlS2.
The Raman spectrum shows main peaks at: 269.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-31166 | 269.6cm-1(1.0) | 7.71 7.71 7.71
29 29 29
S 0.266 0.266 0.266
S 0.734 0.734 0.734
Dy 0.000 0.000 0.000
Tl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbBS2.
The Raman spectrum shows main peaks at: 59.5cm-1(0.08), 102.5cm-1(0.15), 188.4cm-1(0.04), 236.2cm-1(0.22), 303.0cm-1(0.5), 417.6cm-1(0.09), 890.2cm-1(0.09), 933.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-15013 | 59.5cm-1(0.08), 102.5cm-1(0.15), 188.4cm-1(0.04), 236.2cm-1(0.22), 303.0cm-1(0.5), 417.6cm-1(0.09), 890.2cm-1(0.09), 933.2cm-1(1.0) | 9.64 9.64 9.64
110 110 110
B 0.137 0.363 0.250
B 0.250 0.137 0.363
B 0.363 0.250 0.137
B 0.863 0.637 0.750
B 0.750 0.863 0.637
B 0.637 0.750 0.863
S 0.867 0.750 0.633
S 0.750 0.633 0.867
S 0.633 0.867 0.750
S 0.133 0.250 0.367
S 0.250 0.367 0.133
S 0.367 0.133 0.250
S 0.525 0.750 0.975
S 0.750 0.975 0.525
S 0.975 0.525... |
Below is a description of a material. | The chemical formula is: LiDySe2.
The Raman spectrum shows main peaks at: 69.1cm-1(0.06), 145.5cm-1(1.0), 178.9cm-1(0.94).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-35717 | 69.1cm-1(0.06), 145.5cm-1(1.0), 178.9cm-1(0.94) | 6.94 6.94 6.94
132 132 69
Dy 0.500 0.500 0.000
Dy 0.250 0.750 0.500
Li 0.000 0.000 0.000
Li 0.750 0.250 0.500
Se 0.748 0.748 0.000
Se 0.252 0.252 0.000
Se 0.002 0.502 0.500
Se 0.498 0.998 0.500 |
Below is a description of a material. | The chemical formula is: Ag2HgI4.
The Raman spectrum shows main peaks at: 78.6cm-1(0.09), 116.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-570256 | 78.6cm-1(0.09), 116.8cm-1(1.0) | 6.32 6.32 6.27
90 90 90
Ag 0.500 0.000 0.500
Ag 0.000 0.500 0.500
Hg 0.000 0.000 0.000
I 0.268 0.732 0.236
I 0.268 0.268 0.764
I 0.732 0.268 0.236
I 0.732 0.732 0.764 |
Below is a description of a material. | The chemical formula is: SrHCl.
The Raman spectrum shows main peaks at: 140.7cm-1(0.06), 183.7cm-1(0.05), 871.1cm-1(0.8), 890.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-23860 | 140.7cm-1(0.06), 183.7cm-1(0.05), 871.1cm-1(0.8), 890.2cm-1(1.0) | 4.05 4.05 6.86
90 90 90
H 0.500 0.500 0.000
H 0.000 0.000 0.000
Cl 0.500 0.000 0.650
Cl 0.000 0.500 0.350
Sr 0.000 0.500 0.797
Sr 0.500 0.000 0.203 |
Below is a description of a material. | The chemical formula is: ScAsO4.
The Raman spectrum shows main peaks at: 169.3cm-1(0.03), 307.8cm-1(0.04), 374.6cm-1(0.14), 789.9cm-1(0.28), 852.0cm-1(0.49), 871.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-546125 | 169.3cm-1(0.03), 307.8cm-1(0.04), 374.6cm-1(0.14), 789.9cm-1(0.28), 852.0cm-1(0.49), 871.1cm-1(1.0) | 5.65 5.65 5.65
106 106 114
O 0.185 0.999 0.813
O 0.185 0.372 0.187
O 0.749 0.435 0.313
O 0.565 0.251 0.687
O 0.122 0.435 0.687
O 0.001 0.815 0.187
O 0.565 0.878 0.313
O 0.628 0.815 0.813
Sc 0.250 0.750 0.500
Sc 0.500 0.500 0.000
As 1.000 0.000 1.000
As 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Li3AsS3.
The Raman spectrum shows main peaks at: 169.3cm-1(0.14), 183.7cm-1(0.14), 303.0cm-1(0.32), 326.9cm-1(0.66), 350.8cm-1(1.0), 369.8cm-1(0.95), 398.5cm-1(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28471 | 169.3cm-1(0.14), 183.7cm-1(0.14), 303.0cm-1(0.32), 326.9cm-1(0.66), 350.8cm-1(1.0), 369.8cm-1(0.95), 398.5cm-1(0.17) | 7.92 6.63 9.71
90 90 90
Li 0.749 0.120 0.111
Li 0.251 0.880 0.611
Li 0.249 0.380 0.111
Li 0.751 0.620 0.611
Li 0.077 0.354 0.813
Li 0.923 0.646 0.313
Li 0.564 0.455 0.278
Li 0.436 0.545 0.778
Li 0.064 0.045 0.278
Li 0.936 0.955 0.778
Li 0.577 0.146 0.813
Li 0.423 0.854 0.313
S 0.659 0.795 0.823
S 0.341 0.205 0.323
S 0.... |
Below is a description of a material. | The chemical formula is: YTaO4.
The Raman spectrum shows main peaks at: 116.8cm-1(0.03), 236.2cm-1(0.04), 312.6cm-1(0.17), 341.2cm-1(0.21), 441.5cm-1(0.05), 474.9cm-1(0.05), 656.3cm-1(0.13), 699.2cm-1(0.04), 804.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-559289 | 116.8cm-1(0.03), 236.2cm-1(0.04), 312.6cm-1(0.17), 341.2cm-1(0.21), 441.5cm-1(0.05), 474.9cm-1(0.05), 656.3cm-1(0.13), 699.2cm-1(0.04), 804.3cm-1(1.0) | 6.46 6.46 5.04
110 110 115
Y 0.132 0.868 0.750
Y 0.868 0.132 0.250
Ta 0.600 0.400 0.750
Ta 0.400 0.600 0.250
O 0.773 0.712 0.217
O 0.132 0.553 0.340
O 0.227 0.288 0.783
O 0.553 0.132 0.840
O 0.288 0.227 0.283
O 0.447 0.868 0.160
O 0.868 0.447 0.660
O 0.712 0.773 0.717 |
Below is a description of a material. | The chemical formula is: Cs2Pt3S4.
The Raman spectrum shows main peaks at: 269.6cm-1(0.93), 303.0cm-1(0.91), 393.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-13992 | 269.6cm-1(0.93), 303.0cm-1(0.91), 393.7cm-1(1.0) | 8.67 7.47 6.32
77 57 45
S 0.060 0.724 0.276
S 0.724 0.060 0.940
S 0.940 0.276 0.724
S 0.276 0.940 0.060
Cs 0.654 0.654 0.346
Cs 0.346 0.346 0.654
Pt 0.500 0.500 0.000
Pt 0.000 0.000 0.000
Pt 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li2GePbS4.
The Raman spectrum shows main peaks at: 102.5cm-1(0.17), 178.9cm-1(0.25), 350.8cm-1(1.0), 379.4cm-1(0.61).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-19896 | 102.5cm-1(0.17), 178.9cm-1(0.25), 350.8cm-1(1.0), 379.4cm-1(0.61) | 5.99 5.99 5.99
114 114 100
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
S 0.467 0.863 1.000
S 0.137 0.137 0.604
S 0.533 0.533 0.396
S 0.863 0.467 -0.000
Ge 0.500 0.500 0.000
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ga4GeO8.
The Raman spectrum shows main peaks at: 140.7cm-1(0.13), 231.4cm-1(0.07), 317.3cm-1(0.25), 360.3cm-1(0.07), 412.8cm-1(0.62), 441.5cm-1(0.29), 589.4cm-1(0.23), 622.9cm-1(0.45), 661.1cm-1(0.22), 727.9cm-1(1.0), 785.2cm-1(0.76).
Generate atomic structure description with lattice lengths, ... | mp-29455 | 140.7cm-1(0.13), 231.4cm-1(0.07), 317.3cm-1(0.25), 360.3cm-1(0.07), 412.8cm-1(0.62), 441.5cm-1(0.29), 589.4cm-1(0.23), 622.9cm-1(0.45), 661.1cm-1(0.22), 727.9cm-1(1.0), 785.2cm-1(0.76) | 6.30 6.30 9.41
123 123 27
O 0.890 0.890 0.305
O 0.110 0.110 0.695
O 0.440 0.440 0.072
O 0.560 0.560 0.928
O 0.646 0.646 0.463
O 0.840 0.840 0.784
O 0.160 0.160 0.216
O 0.354 0.354 0.537
Ga 0.463 0.463 0.284
Ga 0.537 0.537 0.716
Ga 0.758 0.758 0.360
Ga 0.242 0.242 0.640
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KClO3.
The Raman spectrum shows main peaks at: 460.6cm-1(0.12), 594.2cm-1(0.08), 909.3cm-1(1.0), 933.2cm-1(0.4).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-23022 | 460.6cm-1(0.12), 594.2cm-1(0.08), 909.3cm-1(1.0), 933.2cm-1(0.4) | 4.67 5.62 7.09
90 109 90
O 0.844 0.964 0.694
O 0.156 0.464 0.306
O 0.156 0.036 0.306
O 0.844 0.536 0.694
O 0.290 0.750 0.886
O 0.710 0.250 0.114
Cl 0.049 0.250 0.175
Cl 0.951 0.750 0.825
K 0.355 0.250 0.706
K 0.645 0.750 0.294 |
Below is a description of a material. | The chemical formula is: TaTlGe3O9.
The Raman spectrum shows main peaks at: 107.3cm-1(0.05), 150.3cm-1(0.07), 250.5cm-1(0.11), 298.2cm-1(1.0), 398.5cm-1(0.43), 489.2cm-1(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-540634 | 107.3cm-1(0.05), 150.3cm-1(0.07), 250.5cm-1(0.11), 298.2cm-1(1.0), 398.5cm-1(0.43), 489.2cm-1(0.2) | 7.03 7.03 10.22
90 90 120
Tl 0.667 0.333 0.500
Tl 0.667 0.333 0.000
Ta 0.333 0.667 0.500
Ta 0.333 0.667 0.000
Ge 0.072 0.289 0.750
Ge 0.217 0.928 0.750
Ge 0.711 0.783 0.750
Ge 0.711 0.928 0.250
Ge 0.217 0.289 0.250
Ge 0.072 0.783 0.250
O 0.266 0.200 0.750
O 0.934 0.734 0.750
O 0.800 0.066 0.750
O 0.800 0.734 0.250
O 0.... |
Below is a description of a material. | The chemical formula is: CsDyCdSe3.
The Raman spectrum shows main peaks at: 69.1cm-1(0.1), 112.1cm-1(0.18), 140.7cm-1(0.19), 164.6cm-1(0.44), 183.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-11122 | 69.1cm-1(0.1), 112.1cm-1(0.18), 140.7cm-1(0.19), 164.6cm-1(0.44), 183.7cm-1(1.0) | 8.19 8.19 10.95
90 90 150
Se 0.063 0.937 0.250
Se 0.937 0.063 0.750
Se 0.620 0.380 0.544
Se 0.620 0.380 0.956
Se 0.380 0.620 0.044
Se 0.380 0.620 0.456
Cd 0.540 0.460 0.750
Cd 0.460 0.540 0.250
Cs 0.745 0.255 0.250
Cs 0.255 0.745 0.750
Dy 0.000 0.000 0.500
Dy 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2CaC2O6.
The Raman spectrum shows main peaks at: 64.3cm-1(0.48), 164.6cm-1(0.48), 221.9cm-1(1.0), 665.8cm-1(0.38), 837.7cm-1(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-6494 | 64.3cm-1(0.48), 164.6cm-1(0.48), 221.9cm-1(1.0), 665.8cm-1(0.38), 837.7cm-1(0.08) | 6.77 6.77 6.77
46 46 46
C 0.411 0.411 0.411
C 0.589 0.589 0.589
O 0.311 0.727 0.727
O 0.727 0.311 0.727
O 0.727 0.727 0.311
O 0.273 0.273 0.689
O 0.273 0.689 0.273
O 0.689 0.273 0.273
K 0.790 0.790 0.790
K 0.210 0.210 0.210
Ca 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiSbO2.
The Raman spectrum shows main peaks at: 112.1cm-1(0.21), 188.4cm-1(0.08), 226.6cm-1(0.43), 274.4cm-1(0.08), 455.8cm-1(0.13), 536.9cm-1(0.09), 565.6cm-1(0.38), 594.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-755703 | 112.1cm-1(0.21), 188.4cm-1(0.08), 226.6cm-1(0.43), 274.4cm-1(0.08), 455.8cm-1(0.13), 536.9cm-1(0.09), 565.6cm-1(0.38), 594.2cm-1(1.0) | 5.52 5.52 5.28
114 114 101
Li 0.548 0.452 0.750
Li 0.452 0.548 0.250
Sb 0.109 0.891 0.750
Sb 0.891 0.109 0.250
O 0.196 0.268 0.762
O 0.268 0.196 0.262
O 0.732 0.804 0.738
O 0.804 0.732 0.238 |
Below is a description of a material. | The chemical formula is: Li3PO4.
The Raman spectrum shows main peaks at: 408.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-2878 | 408.0cm-1(1.0) | 10.46 6.10 4.91
90 90 90
Li 0.164 0.498 0.697
Li 0.336 0.502 0.197
Li 0.836 0.998 0.303
Li 0.664 0.002 0.803
Li 0.836 0.502 0.303
Li 0.664 0.498 0.803
Li 0.164 0.002 0.697
Li 0.336 0.998 0.197
Li 0.424 0.250 0.797
Li 0.076 0.750 0.297
Li 0.576 0.750 0.203
Li 0.924 0.250 0.703
O 0.589 0.250 0.624
O 0.341 0.958 0.796
O 0... |
Below is a description of a material. | The chemical formula is: NaHSO4.
The Raman spectrum shows main peaks at: 188.4cm-1(0.1), 221.9cm-1(0.34), 260.1cm-1(0.1), 417.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-634378 | 188.4cm-1(0.1), 221.9cm-1(0.34), 260.1cm-1(0.1), 417.6cm-1(1.0) | 5.08 7.60 9.27
90 111 90
Na 0.013 0.994 0.296
Na 0.013 0.506 0.796
Na 0.987 0.006 0.704
Na 0.987 0.494 0.204
H 0.402 0.046 0.119
H 0.402 0.454 0.619
H 0.598 0.954 0.881
H 0.598 0.546 0.381
S 0.408 0.777 0.062
S 0.408 0.723 0.562
S 0.592 0.223 0.938
S 0.592 0.277 0.438
O 0.705 0.754 0.164
O 0.705 0.746 0.664
O 0.295 0.2... |
Below is a description of a material. | The chemical formula is: Pr3UCl3O6.
The Raman spectrum shows main peaks at: 155.0cm-1(0.47), 169.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-556183 | 155.0cm-1(0.47), 169.3cm-1(1.0) | 9.36 9.36 5.54
90 90 120
Pr 0.312 0.404 0.750
Pr 0.688 0.596 0.250
Pr 0.908 0.312 0.250
Pr 0.596 0.908 0.750
Pr 0.404 0.092 0.250
Pr 0.092 0.688 0.750
U 0.333 0.667 0.250
U 0.667 0.333 0.750
Cl 0.248 0.059 0.750
Cl 0.059 0.811 0.250
Cl 0.752 0.941 0.250
Cl 0.941 0.189 0.750
Cl 0.811 0.752 0.750
Cl 0.189 0.248 0.250
O 0... |
Below is a description of a material. | The chemical formula is: NdGaO3.
The Raman spectrum shows main peaks at: 102.5cm-1(0.03), 145.5cm-1(0.07), 212.3cm-1(0.45), 245.7cm-1(0.69), 293.5cm-1(0.42), 346.0cm-1(0.63), 388.9cm-1(0.37), 451.0cm-1(0.76), 460.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-3196 | 102.5cm-1(0.03), 145.5cm-1(0.07), 212.3cm-1(0.45), 245.7cm-1(0.69), 293.5cm-1(0.42), 346.0cm-1(0.63), 388.9cm-1(0.37), 451.0cm-1(0.76), 460.6cm-1(1.0) | 5.53 7.70 5.41
90 90 90
O 0.208 0.955 0.709
O 0.792 0.455 0.291
O 0.708 0.955 0.791
O 0.292 0.455 0.209
O 0.208 0.545 0.709
O 0.792 0.045 0.291
O 0.708 0.545 0.791
O 0.292 0.045 0.209
O 0.980 0.250 0.915
O 0.020 0.750 0.085
O 0.480 0.250 0.585
O 0.520 0.750 0.415
Ga 0.500 0.500 0.500
Ga 0.500 0.000 0.500
Ga 0.000 0.500... |
Below is a description of a material. | The chemical formula is: Na2TeO3.
The Raman spectrum shows main peaks at: 613.3cm-1(1.0), 627.6cm-1(0.64), 656.3cm-1(0.38), 680.2cm-1(0.74).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-541619 | 613.3cm-1(1.0), 627.6cm-1(0.64), 656.3cm-1(0.38), 680.2cm-1(0.74) | 4.91 10.23 6.80
90 91 90
Te 0.260 0.918 0.658
Te 0.740 0.418 0.842
Te 0.740 0.082 0.342
Te 0.260 0.582 0.158
Na 0.247 0.586 0.636
Na 0.753 0.086 0.864
Na 0.753 0.414 0.364
Na 0.247 0.914 0.136
Na 0.745 0.752 0.896
Na 0.255 0.252 0.604
Na 0.255 0.248 0.104
Na 0.745 0.748 0.396
O 0.233 0.781 0.849
O 0.767 0.281 0.651
O 0... |
Below is a description of a material. | The chemical formula is: Sr4Al6SO12.
The Raman spectrum shows main peaks at: 116.8cm-1(0.19), 198.0cm-1(0.27), 279.1cm-1(0.1), 398.5cm-1(0.1), 436.7cm-1(1.0), 513.1cm-1(0.3), 622.9cm-1(0.05), 670.6cm-1(0.44), 842.5cm-1(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | mp-8877 | 116.8cm-1(0.19), 198.0cm-1(0.27), 279.1cm-1(0.1), 398.5cm-1(0.1), 436.7cm-1(1.0), 513.1cm-1(0.3), 622.9cm-1(0.05), 670.6cm-1(0.44), 842.5cm-1(0.05) | 8.03 8.03 8.03
109 109 109
O 0.595 0.292 0.000
O 0.405 0.697 0.405
O 0.292 0.595 0.000
O 0.000 0.595 0.292
O 0.303 0.708 0.708
O 0.708 0.708 0.303
O 0.708 0.303 0.708
O 0.292 0.000 0.595
O 0.595 0.000 0.292
O 0.697 0.405 0.405
O 0.000 0.292 0.595
O 0.405 0.405 0.697
Al 0.500 0.750 0.250
Al 0.500 0.250 0.750
Al 0.750 0.... |
Below is a description of a material. | The chemical formula is: NdRhO3.
The Raman spectrum shows main peaks at: 260.1cm-1(0.13), 298.2cm-1(0.24), 317.3cm-1(0.77), 408.0cm-1(0.62), 451.0cm-1(1.0), 494.0cm-1(0.34), 546.5cm-1(0.52), 599.0cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4582 | 260.1cm-1(0.13), 298.2cm-1(0.24), 317.3cm-1(0.77), 408.0cm-1(0.62), 451.0cm-1(1.0), 494.0cm-1(0.34), 546.5cm-1(0.52), 599.0cm-1(0.04) | 5.83 7.73 5.29
90 90 90
O 0.196 0.448 0.818
O 0.304 0.552 0.318
O 0.696 0.052 0.682
O 0.804 0.948 0.182
O 0.804 0.552 0.182
O 0.696 0.448 0.682
O 0.304 0.948 0.318
O 0.196 0.052 0.818
O 0.034 0.250 0.389
O 0.466 0.750 0.889
O 0.534 0.250 0.111
O 0.966 0.750 0.611
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.000
Rh 0.500 0.000... |
Below is a description of a material. | The chemical formula is: Lu2SO2.
The Raman spectrum shows main peaks at: 107.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-12673 | 107.3cm-1(1.0) | 3.65 3.65 6.39
90 90 120
O 0.667 0.333 0.629
O 0.333 0.667 0.371
S 0.000 0.000 0.000
Lu 0.667 0.333 0.284
Lu 0.333 0.667 0.716 |
Below is a description of a material. | The chemical formula is: BaSnHgS4.
The Raman spectrum shows main peaks at: 159.8cm-1(0.1), 212.3cm-1(0.05), 279.1cm-1(0.42), 326.9cm-1(1.0), 369.8cm-1(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-555954 | 159.8cm-1(0.1), 212.3cm-1(0.05), 279.1cm-1(0.42), 326.9cm-1(1.0), 369.8cm-1(0.24) | 10.85 6.32 6.32
117 90 90
Ba 0.500 0.949 0.949
Ba 0.000 0.949 0.949
Sn 0.750 0.676 0.250
Sn 0.250 0.250 0.676
Hg 0.750 0.335 0.671
Hg 0.250 0.671 0.335
S 0.579 0.467 0.996
S 0.421 0.996 0.467
S 0.750 0.760 0.653
S 0.250 0.653 0.760
S 0.921 0.467 0.996
S 0.079 0.996 0.467
S 0.750 0.062 0.249
S 0.250 0.249 0.062 |
Below is a description of a material. | The chemical formula is: K2SiP2.
The Raman spectrum shows main peaks at: 97.7cm-1(0.18), 126.4cm-1(0.29), 150.3cm-1(0.59), 193.2cm-1(0.13), 283.9cm-1(0.09), 360.3cm-1(1.0), 484.4cm-1(0.65).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-8235 | 97.7cm-1(0.18), 126.4cm-1(0.29), 150.3cm-1(0.59), 193.2cm-1(0.13), 283.9cm-1(0.09), 360.3cm-1(1.0), 484.4cm-1(0.65) | 7.91 7.91 7.91
128 70 134
Si 0.250 0.750 0.500
Si 0.750 0.250 0.500
P 0.598 0.836 0.433
P 0.902 0.336 0.238
P 0.098 0.664 0.762
P 0.402 0.164 0.567
K 0.146 0.161 0.306
K 0.854 0.839 0.694
K 0.354 0.661 0.015
K 0.646 0.339 0.985 |
Below is a description of a material. | The chemical formula is: Na2TiF6.
The Raman spectrum shows main peaks at: 126.4cm-1(0.16), 188.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-18075 | 126.4cm-1(0.16), 188.4cm-1(1.0) | 9.57 9.57 4.61
90 90 120
F 0.573 0.427 0.730
F 0.573 0.146 0.730
F 0.854 0.427 0.730
F 0.146 0.573 0.270
F 0.427 0.854 0.270
F 0.427 0.573 0.270
F 0.760 0.240 0.265
F 0.760 0.520 0.265
F 0.480 0.240 0.265
F 0.096 0.904 0.219
F 0.096 0.191 0.219
F 0.809 0.904 0.219
F 0.191 0.096 0.781
F 0.904 0.809 0.781
F 0.904 0.096 0... |
Below is a description of a material. | The chemical formula is: K4Be3O5.
The Raman spectrum shows main peaks at: 116.8cm-1(0.12), 150.3cm-1(0.07), 178.9cm-1(0.16), 193.2cm-1(0.18), 250.5cm-1(0.15), 293.5cm-1(0.04), 431.9cm-1(0.46), 451.0cm-1(0.26), 479.6cm-1(0.4), 541.7cm-1(0.31), 608.5cm-1(1.0), 637.2cm-1(0.73), 651.5cm-1(0.89), 727.9cm-1(0.32), 766.1cm-1(... | mp-28158 | 116.8cm-1(0.12), 150.3cm-1(0.07), 178.9cm-1(0.16), 193.2cm-1(0.18), 250.5cm-1(0.15), 293.5cm-1(0.04), 431.9cm-1(0.46), 451.0cm-1(0.26), 479.6cm-1(0.4), 541.7cm-1(0.31), 608.5cm-1(1.0), 637.2cm-1(0.73), 651.5cm-1(0.89), 727.9cm-1(0.32), 766.1cm-1(0.94), 909.3cm-1(0.13) | 6.32 6.32 10.82
112 112 69
Be 0.310 0.690 0.750
Be 0.690 0.310 0.250
Be 0.269 0.731 0.250
Be 0.731 0.269 0.750
Be 0.981 0.019 0.250
Be 0.019 0.981 0.750
O 0.479 0.521 0.250
O 0.521 0.479 0.750
O 0.772 0.123 0.122
O 0.877 0.228 0.378
O 0.228 0.877 0.878
O 0.123 0.772 0.622
O 0.012 0.733 0.233
O 0.267 0.988 0.267
O 0.988... |
Below is a description of a material. | The chemical formula is: HgPSe3.
The Raman spectrum shows main peaks at: 78.6cm-1(0.05), 116.8cm-1(0.27), 140.7cm-1(0.55), 159.8cm-1(0.29), 178.9cm-1(0.48), 198.0cm-1(1.0), 417.6cm-1(0.73), 436.7cm-1(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7293 | 78.6cm-1(0.05), 116.8cm-1(0.27), 140.7cm-1(0.55), 159.8cm-1(0.29), 178.9cm-1(0.48), 198.0cm-1(1.0), 417.6cm-1(0.73), 436.7cm-1(0.31) | 6.54 6.54 13.68
94 94 120
P 0.065 0.529 0.083
P 0.471 0.935 0.417
P 0.935 0.471 0.917
P 0.529 0.065 0.583
Se 0.827 0.445 0.610
Se 0.555 0.173 0.890
Se 0.173 0.555 0.390
Se 0.445 0.827 0.110
Se 0.190 0.030 0.622
Se 0.970 0.810 0.878
Se 0.810 0.970 0.378
Se 0.030 0.190 0.122
Se 0.165 0.380 0.840
Se 0.620 0.835 0.660
Se 0... |
Below is a description of a material. | The chemical formula is: SiO2.
The Raman spectrum shows main peaks at: 341.2cm-1(0.21), 398.5cm-1(0.03), 560.8cm-1(1.0), 813.8cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-546546 | 341.2cm-1(0.21), 398.5cm-1(0.03), 560.8cm-1(1.0), 813.8cm-1(0.04) | 5.31 5.31 5.31
97 97 97
O 0.500 0.309 0.691
O 0.309 0.691 0.500
O 0.691 0.500 0.309
O 0.334 0.666 0.000
O 0.666 -0.000 0.334
O -0.000 0.334 0.666
Si 0.500 0.715 0.285
Si 0.715 0.285 0.500
Si 0.285 0.500 0.715 |
Below is a description of a material. | The chemical formula is: LuPS4.
The Raman spectrum shows main peaks at: 131.2cm-1(0.04), 260.1cm-1(0.12), 274.4cm-1(0.15), 303.0cm-1(0.08), 412.8cm-1(1.0), 517.8cm-1(0.06), 536.9cm-1(0.07), 599.0cm-1(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-30287 | 131.2cm-1(0.04), 260.1cm-1(0.12), 274.4cm-1(0.15), 303.0cm-1(0.08), 412.8cm-1(1.0), 517.8cm-1(0.06), 536.9cm-1(0.07), 599.0cm-1(0.13) | 8.24 6.37 12.32
90 121 90
P 0.304 0.770 0.036
P 0.696 0.270 0.464
P 0.696 0.230 0.964
P 0.304 0.730 0.536
S 0.586 0.768 0.590
S 0.414 0.268 0.910
S 0.414 0.232 0.410
S 0.586 0.732 0.090
S 0.136 0.748 0.346
S 0.864 0.248 0.154
S 0.864 0.252 0.654
S 0.136 0.752 0.846
S 0.270 0.456 0.611
S 0.730 0.956 0.889
S 0.730 0.544 ... |
Below is a description of a material. | The chemical formula is: RbSmP4O12.
The Raman spectrum shows main peaks at: 174.1cm-1(0.14), 250.5cm-1(0.42), 331.7cm-1(1.0), 365.1cm-1(0.42).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-18255 | 174.1cm-1(0.14), 250.5cm-1(0.42), 331.7cm-1(1.0), 365.1cm-1(0.42) | 7.52 7.52 10.61
101 101 116
O 0.311 0.806 0.611
O 0.194 0.689 0.889
O 0.689 0.194 0.389
O 0.806 0.311 0.111
O 0.484 0.095 0.894
O 0.905 0.516 0.606
O 0.516 0.905 0.106
O 0.095 0.484 0.394
O 0.137 0.154 0.916
O 0.846 0.863 0.584
O 0.863 0.846 0.084
O 0.154 0.137 0.416
O 0.273 0.526 0.057
O 0.474 0.727 0.443
O 0.727 0.47... |
Below is a description of a material. | The chemical formula is: Ba2H6Ru.
The Raman spectrum shows main peaks at: 102.5cm-1(0.03), 747.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-697038 | 102.5cm-1(0.03), 747.0cm-1(1.0) | 5.60 5.60 5.60
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
H 0.218 0.782 0.782
H 0.782 0.218 0.782
H 0.218 0.218 0.782
H 0.782 0.218 0.218
H 0.218 0.782 0.218
H 0.782 0.782 0.218
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2LaNbO6.
The Raman spectrum shows main peaks at: 112.1cm-1(0.15), 212.3cm-1(0.05), 346.0cm-1(0.36), 369.8cm-1(0.4), 494.0cm-1(0.32), 751.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-553281 | 112.1cm-1(0.15), 212.3cm-1(0.05), 346.0cm-1(0.36), 369.8cm-1(0.4), 494.0cm-1(0.32), 751.8cm-1(1.0) | 6.06 6.06 6.16
119 119 60
Ba 0.248 0.248 0.739
Ba 0.752 0.752 0.261
O 0.225 0.692 0.685
O 0.272 0.272 0.197
O 0.692 0.225 0.685
O 0.728 0.728 0.803
O 0.308 0.775 0.315
O 0.775 0.308 0.315
La 0.000 -0.000 -0.000
Nb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCaGaN2.
The Raman spectrum shows main peaks at: 121.6cm-1(0.04), 159.8cm-1(0.03), 231.4cm-1(0.07), 283.9cm-1(0.2), 331.7cm-1(0.16), 365.1cm-1(0.06), 436.7cm-1(0.49), 460.6cm-1(0.41), 479.6cm-1(0.72), 494.0cm-1(1.0), 527.4cm-1(0.6), 584.7cm-1(0.65), 613.3cm-1(0.1).
Generate atomic structure de... | mp-570948 | 121.6cm-1(0.04), 159.8cm-1(0.03), 231.4cm-1(0.07), 283.9cm-1(0.2), 331.7cm-1(0.16), 365.1cm-1(0.06), 436.7cm-1(0.49), 460.6cm-1(0.41), 479.6cm-1(0.72), 494.0cm-1(1.0), 527.4cm-1(0.6), 584.7cm-1(0.65), 613.3cm-1(0.1) | 5.74 6.88 5.86
90 90 90
Li 0.367 0.894 0.411
Li 0.633 0.106 0.589
Li 0.367 0.606 0.911
Li 0.633 0.394 0.089
Ca 0.978 0.373 0.757
Ca 0.022 0.627 0.243
Ca 0.978 0.127 0.257
Ca 0.022 0.873 0.743
Ga 0.625 0.640 0.579
Ga 0.625 0.860 0.079
Ga 0.375 0.360 0.421
Ga 0.375 0.140 0.921
N 0.741 0.863 0.403
N 0.259 0.363 0.097
N 0.... |
Below is a description of a material. | The chemical formula is: GeTe7As4.
The Raman spectrum shows main peaks at: 73.9cm-1(0.21), 107.3cm-1(0.21), 121.6cm-1(0.39), 135.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-8645 | 73.9cm-1(0.21), 107.3cm-1(0.21), 121.6cm-1(0.39), 135.9cm-1(1.0) | 4.07 4.07 22.28
90 90 120
Ge 0.000 0.000 0.500
As 0.667 0.333 0.081
As 0.333 0.667 0.919
As 0.333 0.667 0.660
As 0.667 0.333 0.340
Te 0.000 0.000 0.270
Te 0.000 0.000 0.730
Te 0.667 0.333 0.848
Te 0.333 0.667 0.152
Te 0.333 0.667 0.422
Te 0.667 0.333 0.578
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K3PS4.
The Raman spectrum shows main peaks at: 121.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-17989 | 121.6cm-1(1.0) | 8.97 10.48 9.15
90 90 90
P 0.724 0.250 0.980
P 0.776 0.750 0.480
P 0.224 0.250 0.520
P 0.276 0.750 0.020
S 0.696 0.250 0.758
S 0.804 0.750 0.258
S 0.196 0.250 0.742
S 0.304 0.750 0.242
S 0.518 0.250 0.081
S 0.982 0.750 0.581
S 0.018 0.250 0.419
S 0.482 0.750 0.919
S 0.837 0.088 0.038
S 0.663 0.912 0.538
S 0.337 0.412 0... |
Below is a description of a material. | The chemical formula is: AlCuSe2.
The Raman spectrum shows main peaks at: 188.4cm-1(1.0), 331.7cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-8016 | 188.4cm-1(1.0), 331.7cm-1(0.04) | 6.77 6.77 6.77
131 131 70
Al 0.500 0.500 -0.000
Al 0.250 0.750 0.500
Cu 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Se 0.122 0.125 0.497
Se 0.875 0.372 0.997
Se 0.375 0.878 0.003
Se 0.628 0.625 0.503 |
Below is a description of a material. | The chemical formula is: AlH3.
The Raman spectrum shows main peaks at: 579.9cm-1(0.06), 899.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-23933 | 579.9cm-1(0.06), 899.7cm-1(1.0) | 4.60 4.60 4.60
55 55 55
H 0.750 0.084 0.416
H 0.084 0.416 0.750
H 0.584 0.250 0.916
H 0.916 0.584 0.250
H 0.250 0.916 0.584
H 0.416 0.750 0.084
Al 0.500 0.500 0.500
Al 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaAlBO3F2.
The Raman spectrum shows main peaks at: 126.4cm-1(0.11), 264.8cm-1(0.14), 331.7cm-1(0.2), 465.3cm-1(1.0), 961.8cm-1(0.4).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-558491 | 126.4cm-1(0.11), 264.8cm-1(0.14), 331.7cm-1(0.2), 465.3cm-1(1.0), 961.8cm-1(0.4) | 4.89 4.89 9.33
90 90 120
Ba 0.000 0.000 0.500
Ba 0.000 0.000 0.000
Al 0.667 0.333 0.750
Al 0.333 0.667 0.250
B 0.333 0.667 0.750
B 0.667 0.333 0.250
O 0.944 0.324 0.250
O 0.056 0.380 0.750
O 0.380 0.056 0.250
O 0.324 0.944 0.750
O 0.620 0.676 0.750
O 0.676 0.620 0.250
F 0.667 0.333 0.552
F 0.333 0.667 0.448
F 0.333 0.6... |
Below is a description of a material. | The chemical formula is: Na2Pd3O4.
The Raman spectrum shows main peaks at: 178.9cm-1(0.08), 198.0cm-1(0.11), 303.0cm-1(0.12), 431.9cm-1(0.55), 451.0cm-1(0.69), 517.8cm-1(0.07), 560.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-27562 | 178.9cm-1(0.08), 198.0cm-1(0.11), 303.0cm-1(0.12), 431.9cm-1(0.55), 451.0cm-1(0.69), 517.8cm-1(0.07), 560.8cm-1(1.0) | 7.30 7.30 7.30
155 136 50
O 0.869 0.114 0.754
O 0.131 0.886 0.246
O 0.640 0.886 0.754
O 0.360 0.114 0.246
Na 0.298 0.298 0.000
Na 0.702 0.702 0.000
Pd 0.105 0.605 0.500
Pd 0.895 0.395 0.500
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ba2Ga2S5.
The Raman spectrum shows main peaks at: 102.5cm-1(0.32), 121.6cm-1(0.93), 145.5cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-18421 | 102.5cm-1(0.32), 121.6cm-1(0.93), 145.5cm-1(1.0) | 10.62 10.62 8.49
101 101 86
S 0.972 0.028 0.250
S 0.028 0.972 0.750
S 0.390 0.965 0.775
S 0.035 0.610 0.725
S 0.610 0.035 0.225
S 0.965 0.390 0.275
S 0.519 0.765 0.458
S 0.235 0.481 0.042
S 0.481 0.235 0.542
S 0.765 0.519 0.958
S 0.251 0.165 0.098
S 0.835 0.749 0.402
S 0.749 0.835 0.902
S 0.165 0.251 0.598
S 0.185 0.73... |
Below is a description of a material. | The chemical formula is: LiSb3O8.
The Raman spectrum shows main peaks at: 264.8cm-1(0.09), 322.1cm-1(0.04), 427.1cm-1(0.06), 484.4cm-1(0.79), 546.5cm-1(0.83), 637.2cm-1(1.0), 804.3cm-1(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-29892 | 264.8cm-1(0.09), 322.1cm-1(0.04), 427.1cm-1(0.06), 484.4cm-1(0.79), 546.5cm-1(0.83), 637.2cm-1(1.0), 804.3cm-1(0.07) | 5.64 4.73 10.35
90 96 90
Li 1.000 0.500 0.500
Li 0.000 0.000 0.000
O 0.235 0.672 0.081
O 0.765 0.172 0.419
O 0.765 0.328 0.919
O 0.235 0.828 0.581
O 0.479 0.782 0.326
O 0.521 0.282 0.174
O 0.521 0.218 0.674
O 0.479 0.718 0.826
O 0.279 0.294 0.421
O 0.721 0.794 0.079
O 0.721 0.706 0.579
O 0.279 0.206 0.921
O 0.987 0.809... |
Below is a description of a material. | The chemical formula is: SiO2.
The Raman spectrum shows main peaks at: 121.6cm-1(0.04), 202.8cm-1(0.36), 355.5cm-1(0.03), 474.9cm-1(1.0), 670.6cm-1(0.06), 770.9cm-1(0.04), 813.8cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-12787 | 121.6cm-1(0.04), 202.8cm-1(0.36), 355.5cm-1(0.03), 474.9cm-1(1.0), 670.6cm-1(0.06), 770.9cm-1(0.04), 813.8cm-1(0.04) | 7.38 7.38 8.80
126 126 39
O 0.714 0.154 0.811
O 0.846 0.286 0.689
O 0.286 0.846 0.189
O 0.154 0.714 0.311
O 0.267 0.941 0.932
O 0.059 0.733 0.568
O 0.229 0.345 0.810
O 0.655 0.771 0.690
O 0.771 0.655 0.190
O 0.345 0.229 0.310
O 0.941 0.267 0.432
O 0.733 0.059 0.068
Si 0.413 0.921 0.155
Si 0.079 0.587 0.345
Si 0.587 0.0... |
Below is a description of a material. | The chemical formula is: ZnCN2.
The Raman spectrum shows main peaks at: 88.2cm-1(0.04), 126.4cm-1(0.09), 174.1cm-1(0.26), 193.2cm-1(0.46), 217.1cm-1(0.58), 250.5cm-1(0.1), 307.8cm-1(0.08), 331.7cm-1(0.07), 398.5cm-1(1.0), 455.8cm-1(0.36), 661.1cm-1(0.81).
Generate atomic structure description with lattice lengths, angl... | mp-29826 | 88.2cm-1(0.04), 126.4cm-1(0.09), 174.1cm-1(0.26), 193.2cm-1(0.46), 217.1cm-1(0.58), 250.5cm-1(0.1), 307.8cm-1(0.08), 331.7cm-1(0.07), 398.5cm-1(1.0), 455.8cm-1(0.36), 661.1cm-1(0.81) | 6.77 6.77 6.77
99 99 132
C 0.875 0.055 0.680
C 0.805 0.125 0.180
C 0.375 0.195 0.320
C 0.945 0.625 0.820
N 0.742 0.477 0.883
N 0.523 0.405 0.265
N 0.595 0.860 0.117
N 0.140 0.258 0.735
N 0.155 0.773 0.765
N 0.610 0.845 0.617
N 0.227 0.992 0.383
N 0.008 0.390 0.235
Zn 0.875 0.580 0.205
Zn 0.330 0.125 0.705
Zn 0.420 0.62... |
Below is a description of a material. | The chemical formula is: AlBPbO4.
The Raman spectrum shows main peaks at: 73.9cm-1(0.46), 116.8cm-1(0.07), 174.1cm-1(0.1), 202.8cm-1(0.22), 293.5cm-1(0.58), 312.6cm-1(0.66), 326.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-559276 | 73.9cm-1(0.46), 116.8cm-1(0.07), 174.1cm-1(0.1), 202.8cm-1(0.22), 293.5cm-1(0.58), 312.6cm-1(0.66), 326.9cm-1(1.0) | 6.94 5.76 8.07
90 90 90
Al 0.500 0.000 0.500
Al 0.000 0.000 0.000
Al 0.000 0.500 0.000
Al 0.500 0.500 0.500
B 0.728 0.750 0.758
B 0.228 0.750 0.742
B 0.772 0.250 0.258
B 0.272 0.250 0.242
Pb 0.062 0.250 0.638
Pb 0.562 0.250 0.862
Pb 0.938 0.750 0.362
Pb 0.438 0.750 0.138
O 0.172 0.957 0.815
O 0.672 0.957 0.685
O 0.328 ... |
Below is a description of a material. | The chemical formula is: LiGaI3.
The Raman spectrum shows main peaks at: 78.6cm-1(0.19), 116.8cm-1(1.0), 202.8cm-1(0.08), 274.4cm-1(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-29345 | 78.6cm-1(0.19), 116.8cm-1(1.0), 202.8cm-1(0.08), 274.4cm-1(0.2) | 7.08 11.15 8.37
90 91 90
Li 1.000 0.500 0.500
Li 0.500 0.500 -0.000
Li 1.000 0.000 0.500
Li 0.500 0.000 -0.000
Ga 0.974 0.750 0.968
Ga 0.132 0.250 0.759
Ga 0.026 0.250 0.032
Ga 0.868 0.750 0.241
I 0.662 0.250 0.068
I 0.342 0.433 0.682
I 0.658 0.933 0.318
I 0.658 0.567 0.318
I 0.828 0.935 0.813
I 0.172 0.435 0.187
I 0.1... |
Below is a description of a material. | The chemical formula is: BaErCuS3.
The Raman spectrum shows main peaks at: 69.1cm-1(0.21), 116.8cm-1(0.29), 217.1cm-1(0.37), 236.2cm-1(1.0), 264.8cm-1(0.74), 288.7cm-1(0.28), 326.9cm-1(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-14969 | 69.1cm-1(0.21), 116.8cm-1(0.29), 217.1cm-1(0.37), 236.2cm-1(1.0), 264.8cm-1(0.74), 288.7cm-1(0.28), 326.9cm-1(0.11) | 6.96 6.96 10.02
90 90 147
S 0.065 0.935 0.250
S 0.935 0.065 0.750
S 0.368 0.632 0.062
S 0.368 0.632 0.438
S 0.632 0.368 0.562
S 0.632 0.368 0.938
Cu 0.468 0.532 0.250
Cu 0.532 0.468 0.750
Ba 0.256 0.744 0.750
Ba 0.744 0.256 0.250
Er 0.000 0.000 0.000
Er 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: RbSn2Br5.
The Raman spectrum shows main peaks at: 78.6cm-1(0.54), 135.9cm-1(1.0), 164.6cm-1(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-567780 | 78.6cm-1(0.54), 135.9cm-1(1.0), 164.6cm-1(0.27) | 9.42 9.42 9.42
128 128 76
Rb 0.250 0.250 1.000
Rb 0.750 0.750 1.000
Sn 0.168 0.332 0.500
Sn 0.332 0.832 0.164
Sn 0.832 0.668 0.500
Sn 0.668 0.168 0.836
Br 0.474 0.290 0.500
Br 0.290 0.790 0.817
Br 0.526 0.710 0.500
Br 0.790 0.974 0.500
Br 0.974 0.474 0.183
Br 0.710 0.210 0.183
Br 0.210 0.026 0.500
Br 0.000 0.000 0.000
... |
Below is a description of a material. | The chemical formula is: KHoO2.
The Raman spectrum shows main peaks at: 369.8cm-1(1.0), 479.6cm-1(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-754883 | 369.8cm-1(1.0), 479.6cm-1(0.08) | 6.50 6.50 6.50
30 30 30
K 0.000 0.000 0.000
Ho 0.500 0.500 0.500
O 0.772 0.772 0.772
O 0.228 0.228 0.228 |
Below is a description of a material. | The chemical formula is: BaPr2ZnS5.
The Raman spectrum shows main peaks at: 116.8cm-1(0.3), 131.2cm-1(0.43), 150.3cm-1(0.22), 169.3cm-1(0.25), 217.1cm-1(0.43), 326.9cm-1(1.0), 379.4cm-1(0.38).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-16454 | 116.8cm-1(0.3), 131.2cm-1(0.43), 150.3cm-1(0.22), 169.3cm-1(0.25), 217.1cm-1(0.43), 326.9cm-1(1.0), 379.4cm-1(0.38) | 8.75 8.75 8.75
126 126 78
S 0.515 0.015 0.800
S 0.785 0.285 0.800
S 0.485 0.985 0.200
S 0.285 0.485 0.500
S 0.985 0.785 0.500
S 0.715 0.515 0.500
S 0.015 0.215 0.500
S 0.215 0.715 0.200
S -0.000 -0.000 1.000
S 0.500 0.500 1.000
Zn 0.250 0.750 0.500
Zn 0.750 0.250 0.500
Ba 0.250 0.250 1.000
Ba 0.750 0.750 1.000
Pr 0.339... |
Below is a description of a material. | The chemical formula is: Na2BeGeO4.
The Raman spectrum shows main peaks at: 202.8cm-1(0.13), 231.4cm-1(0.13), 269.6cm-1(1.0), 283.9cm-1(0.9).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-18197 | 202.8cm-1(0.13), 231.4cm-1(0.13), 269.6cm-1(1.0), 283.9cm-1(0.9) | 7.24 5.02 10.13
90 90 90
Be 0.999 0.343 0.087
Be 0.001 0.657 0.913
Be 0.999 0.157 0.587
Be 0.001 0.843 0.413
O 0.954 0.830 0.574
O 0.046 0.330 0.926
O 0.046 0.170 0.426
O 0.954 0.670 0.074
O 0.188 0.688 0.374
O 0.188 0.812 0.874
O 0.812 0.188 0.126
O 0.812 0.312 0.626
O 0.814 0.718 0.830
O 0.186 0.218 0.670
O 0.186 0.2... |
Below is a description of a material. | The chemical formula is: KYP4O12.
The Raman spectrum shows main peaks at: 188.4cm-1(0.12), 255.3cm-1(0.46), 336.4cm-1(1.0), 369.8cm-1(0.43).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-541495 | 188.4cm-1(0.12), 255.3cm-1(0.46), 336.4cm-1(1.0), 369.8cm-1(0.43) | 7.33 7.33 10.45
101 101 115
Y 0.881 0.119 0.750
Y 0.119 0.881 0.250
K 0.814 0.186 0.250
K 0.186 0.814 0.750
P 0.254 0.304 0.558
P 0.696 0.746 0.942
P 0.746 0.696 0.442
P 0.304 0.254 0.058
P 0.285 0.627 0.005
P 0.373 0.715 0.495
P 0.715 0.373 0.995
P 0.627 0.285 0.505
O 0.184 0.248 0.676
O 0.752 0.816 0.824
O 0.816 0.75... |
Below is a description of a material. | The chemical formula is: SnPb2O4.
The Raman spectrum shows main peaks at: 64.3cm-1(0.91), 83.4cm-1(0.61), 116.8cm-1(1.0), 131.2cm-1(0.92), 155.0cm-1(0.39).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-22467 | 64.3cm-1(0.91), 83.4cm-1(0.61), 116.8cm-1(1.0), 131.2cm-1(0.92), 155.0cm-1(0.39) | 8.75 8.75 6.39
90 90 90
O 0.095 0.374 0.500
O 0.905 0.626 0.500
O 0.595 0.126 0.500
O 0.405 0.874 0.500
O 0.126 0.405 0.000
O 0.874 0.595 0.000
O 0.626 0.095 0.000
O 0.374 0.905 0.000
O 0.334 0.166 0.750
O 0.666 0.834 0.750
O 0.834 0.334 0.250
O 0.166 0.666 0.250
O 0.834 0.334 0.750
O 0.166 0.666 0.750
O 0.334 0.166 0.... |
Below is a description of a material. | The chemical formula is: Th2TeN2.
The Raman spectrum shows main peaks at: 183.7cm-1(0.28), 374.6cm-1(0.36), 541.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7523 | 183.7cm-1(0.28), 374.6cm-1(0.36), 541.7cm-1(1.0) | 7.06 7.06 7.06
146 146 48
N 0.250 0.750 0.500
N 0.750 0.250 0.500
Te 0.000 0.000 0.000
Th 0.338 0.338 1.000
Th 0.662 0.662 0.000 |
Below is a description of a material. | The chemical formula is: Ba2ZnN2.
The Raman spectrum shows main peaks at: 126.4cm-1(0.16), 646.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9307 | 126.4cm-1(0.16), 646.7cm-1(1.0) | 7.08 7.08 7.08
145 145 48
N 0.141 0.141 0.000
N 0.859 0.859 0.000
Zn 0.000 0.000 0.000
Ba 0.345 0.345 0.000
Ba 0.655 0.655 0.000 |
Below is a description of a material. | The chemical formula is: BaMgTe2O7.
The Raman spectrum shows main peaks at: 178.9cm-1(0.03), 274.4cm-1(0.18), 312.6cm-1(0.06), 379.4cm-1(0.22), 412.8cm-1(0.21), 470.1cm-1(0.3), 532.2cm-1(0.25), 594.2cm-1(0.14), 632.4cm-1(0.28), 713.6cm-1(0.11), 737.4cm-1(0.53), 785.2cm-1(1.0).
Generate atomic structure description with... | mp-865532 | 178.9cm-1(0.03), 274.4cm-1(0.18), 312.6cm-1(0.06), 379.4cm-1(0.22), 412.8cm-1(0.21), 470.1cm-1(0.3), 532.2cm-1(0.25), 594.2cm-1(0.14), 632.4cm-1(0.28), 713.6cm-1(0.11), 737.4cm-1(0.53), 785.2cm-1(1.0) | 5.59 8.46 8.46
128 90 90
Ba 0.750 0.920 0.337
Ba 0.250 0.337 0.920
Mg 0.750 0.524 0.760
Mg 0.250 0.760 0.524
Te 0.250 0.302 0.447
Te 0.250 0.812 0.969
Te 0.750 0.969 0.812
Te 0.750 0.447 0.302
O 0.500 0.006 0.006
O 0.000 0.006 0.006
O 0.250 0.646 0.676
O 0.250 0.994 0.268
O 0.993 0.295 0.583
O 0.507 0.295 0.583
O 0.495... |
Below is a description of a material. | The chemical formula is: Si3N4.
The Raman spectrum shows main peaks at: 217.1cm-1(0.77), 255.3cm-1(0.12), 288.7cm-1(0.08), 331.7cm-1(0.53), 441.5cm-1(0.45), 494.0cm-1(0.07), 527.4cm-1(0.07), 551.3cm-1(0.11), 584.7cm-1(1.0), 661.1cm-1(0.26), 694.5cm-1(0.38), 837.7cm-1(0.91), 852.0cm-1(0.6), 871.1cm-1(0.5), 895.0cm-1(0.8... | mp-2245 | 217.1cm-1(0.77), 255.3cm-1(0.12), 288.7cm-1(0.08), 331.7cm-1(0.53), 441.5cm-1(0.45), 494.0cm-1(0.07), 527.4cm-1(0.07), 551.3cm-1(0.11), 584.7cm-1(1.0), 661.1cm-1(0.26), 694.5cm-1(0.38), 837.7cm-1(0.91), 852.0cm-1(0.6), 871.1cm-1(0.5), 895.0cm-1(0.89), 914.1cm-1(0.9), 933.2cm-1(0.53), 957.0cm-1(0.19), 971.4cm-1(0.16) | 7.77 7.77 5.63
90 90 120
N 0.611 0.955 0.433
N 0.045 0.656 0.433
N 0.344 0.389 0.433
N 0.955 0.611 0.933
N 0.656 0.045 0.933
N 0.389 0.344 0.933
N 0.319 0.004 0.699
N 0.996 0.315 0.699
N 0.685 0.681 0.699
N 0.004 0.319 0.199
N 0.315 0.996 0.199
N 0.681 0.685 0.199
N 0.667 0.333 0.604
N 0.333 0.667 0.104
N 0.000 0.000 0... |
Below is a description of a material. | The chemical formula is: ZrNCl.
The Raman spectrum shows main peaks at: 178.9cm-1(0.21), 317.3cm-1(0.07), 599.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-542791 | 178.9cm-1(0.21), 317.3cm-1(0.07), 599.0cm-1(1.0) | 9.81 9.81 9.81
21 21 21
Zr 0.121 0.121 0.121
Zr 0.879 0.879 0.879
N 0.196 0.196 0.196
N 0.804 0.804 0.804
Cl 0.393 0.393 0.393
Cl 0.607 0.607 0.607 |
Below is a description of a material. | The chemical formula is: Sr2UO5.
The Raman spectrum shows main peaks at: 135.9cm-1(0.12), 193.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-18471 | 135.9cm-1(0.12), 193.2cm-1(1.0) | 8.04 5.65 11.87
90 108 90
O 0.750 0.347 0.002
O 0.250 0.847 0.498
O 0.250 0.653 0.998
O 0.750 0.153 0.502
O 0.980 0.239 0.878
O 0.020 0.739 0.622
O 0.020 0.761 0.122
O 0.980 0.261 0.378
O 0.394 0.198 0.926
O 0.606 0.698 0.574
O 0.606 0.802 0.074
O 0.394 0.302 0.426
O 0.554 0.331 0.165
O 0.446 0.831 0.335
O 0.446 0.669 ... |
Below is a description of a material. | The chemical formula is: Ba2SbAu.
The Raman spectrum shows main peaks at: 88.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-862631 | 88.2cm-1(1.0) | 5.77 5.77 5.77
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Sb 0.000 0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Na3ScF6.
The Raman spectrum shows main peaks at: 255.3cm-1(0.13), 264.8cm-1(0.15), 393.7cm-1(0.03), 498.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4185 | 255.3cm-1(0.13), 264.8cm-1(0.15), 393.7cm-1(0.03), 498.7cm-1(1.0) | 5.57 5.81 9.75
90 123 90
F 0.751 0.785 0.080
F 0.249 0.285 0.420
F 0.249 0.215 0.920
F 0.751 0.715 0.580
F 0.150 0.679 0.946
F 0.850 0.179 0.554
F 0.850 0.321 0.054
F 0.150 0.821 0.446
F 0.396 0.931 0.270
F 0.604 0.431 0.230
F 0.604 0.069 0.730
F 0.396 0.569 0.770
Na 0.777 0.443 0.760
Na 0.223 0.943 0.740
Na 0.223 0.55... |
Below is a description of a material. | The chemical formula is: CdI2.
The Raman spectrum shows main peaks at: 107.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-570472 | 107.3cm-1(1.0) | 4.22 4.22 34.24
90 90 120
Cd 0.000 0.000 0.450
Cd 0.333 0.667 0.650
Cd 0.000 0.000 0.050
Cd 0.333 0.667 0.850
Cd 0.333 0.667 0.250
I 0.000 0.000 0.200
I 0.667 0.333 0.300
I 0.000 0.000 0.800
I 0.667 0.333 0.700
I 0.667 0.333 0.100
I 0.000 0.000 0.600
I 0.333 0.667 0.000
I 0.667 0.333 0.900
I 0.333 0.667 0.400
I 0.667 0... |
Below is a description of a material. | The chemical formula is: Ho3CuSiSe7.
The Raman spectrum shows main peaks at: 97.7cm-1(0.06), 140.7cm-1(0.14), 217.1cm-1(1.0), 403.3cm-1(0.06), 436.7cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-571468 | 97.7cm-1(0.06), 140.7cm-1(0.14), 217.1cm-1(1.0), 403.3cm-1(0.06), 436.7cm-1(0.04) | 10.15 10.15 5.88
90 90 120
Ho 0.776 0.644 0.773
Ho 0.644 0.868 0.273
Ho 0.132 0.776 0.273
Ho 0.868 0.224 0.773
Ho 0.356 0.132 0.773
Ho 0.224 0.356 0.273
Cu 0.000 0.000 0.813
Cu 0.000 0.000 0.313
Si 0.667 0.333 0.185
Si 0.333 0.667 0.685
Se 0.422 0.903 0.528
Se 0.481 0.578 0.528
Se 0.097 0.519 0.528
Se 0.901 0.164 0.297... |
Below is a description of a material. | The chemical formula is: K3BP2.
The Raman spectrum shows main peaks at: 93.0cm-1(0.24), 126.4cm-1(0.24), 369.8cm-1(0.04), 489.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9664 | 93.0cm-1(0.24), 126.4cm-1(0.24), 369.8cm-1(0.04), 489.2cm-1(1.0) | 6.43 6.43 8.89
104 104 86
B 0.717 0.283 0.750
B 0.283 0.717 0.250
P 0.590 0.147 0.854
P 0.853 0.410 0.646
P 0.147 0.590 0.354
P 0.410 0.853 0.146
K 0.350 0.650 0.750
K 0.650 0.350 0.250
K 0.747 0.849 0.518
K 0.151 0.253 0.982
K 0.253 0.151 0.482
K 0.849 0.747 0.018 |
Below is a description of a material. | The chemical formula is: Rb2CuBr3.
The Raman spectrum shows main peaks at: 69.1cm-1(0.11), 116.8cm-1(1.0), 155.0cm-1(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-569531 | 69.1cm-1(0.11), 116.8cm-1(1.0), 155.0cm-1(0.24) | 13.05 4.34 13.52
90 90 90
Rb 0.487 0.750 0.825
Rb 0.513 0.250 0.175
Rb 0.325 0.750 0.474
Rb 0.675 0.250 0.526
Rb 0.987 0.750 0.675
Rb 0.175 0.250 0.974
Rb 0.825 0.750 0.026
Rb 0.013 0.250 0.325
Cu 0.257 0.250 0.689
Cu 0.757 0.250 0.811
Cu 0.743 0.750 0.311
Cu 0.243 0.750 0.189
Br 0.728 0.750 0.723
Br 0.772 0.250 0.223
... |
Below is a description of a material. | The chemical formula is: MgH2SO5.
The Raman spectrum shows main peaks at: 231.4cm-1(0.03), 408.0cm-1(0.05), 498.7cm-1(0.06), 603.8cm-1(0.1), 966.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-24041 | 231.4cm-1(0.03), 408.0cm-1(0.05), 498.7cm-1(0.06), 603.8cm-1(0.1), 966.6cm-1(1.0) | 5.16 5.16 7.52
106 106 99
H 0.140 0.049 0.207
H 0.951 0.860 0.293
H 0.860 0.951 0.793
H 0.049 0.140 0.707
O 0.330 0.712 0.598
O 0.288 0.670 0.902
O 0.670 0.288 0.402
O 0.712 0.330 0.098
O 0.728 0.676 0.842
O 0.324 0.272 0.658
O 0.272 0.324 0.158
O 0.676 0.728 0.342
O 0.880 0.120 0.750
O 0.120 0.880 0.250
Mg -0.000 0.50... |
Below is a description of a material. | The chemical formula is: K2Al2Sb2O7.
The Raman spectrum shows main peaks at: 131.2cm-1(0.04), 217.1cm-1(0.13), 331.7cm-1(0.04), 417.6cm-1(1.0), 517.8cm-1(0.56), 651.5cm-1(0.7), 732.7cm-1(0.12), 818.6cm-1(0.86).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-554959 | 131.2cm-1(0.04), 217.1cm-1(0.13), 331.7cm-1(0.04), 417.6cm-1(1.0), 517.8cm-1(0.56), 651.5cm-1(0.7), 732.7cm-1(0.12), 818.6cm-1(0.86) | 5.66 5.66 8.12
90 90 120
K 0.333 0.667 0.409
K 0.667 0.333 0.591
Al 0.000 0.000 0.212
Al 0.000 0.000 0.788
Sb 0.333 0.667 0.846
Sb 0.667 0.333 0.154
O 0.337 0.169 0.291
O 0.663 0.831 0.709
O 0.169 0.337 0.709
O 0.831 0.169 0.291
O 0.000 0.000 0.000
O 0.831 0.663 0.291
O 0.169 0.831 0.709 |
Below is a description of a material. | The chemical formula is: HPbClO.
The Raman spectrum shows main peaks at: 78.6cm-1(0.18), 97.7cm-1(0.43), 135.9cm-1(0.56), 283.9cm-1(0.52), 326.9cm-1(0.56), 541.7cm-1(0.58), 742.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-643364 | 78.6cm-1(0.18), 97.7cm-1(0.43), 135.9cm-1(0.56), 283.9cm-1(0.52), 326.9cm-1(0.56), 541.7cm-1(0.58), 742.2cm-1(1.0) | 5.73 5.73 7.18
114 114 40
H 0.881 0.881 0.380
H 0.119 0.119 0.620
Pb 0.831 0.831 0.762
Pb 0.169 0.169 0.238
Cl 0.571 0.571 0.816
Cl 0.429 0.429 0.184
O 0.800 0.800 0.410
O 0.200 0.200 0.590 |
Below is a description of a material. | The chemical formula is: Ba3BiN.
The Raman spectrum shows main peaks at: 73.9cm-1(0.26), 150.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-567666 | 73.9cm-1(0.26), 150.3cm-1(1.0) | 7.61 7.61 6.68
90 90 120
Ba 0.159 0.318 0.250
Ba 0.318 0.159 0.750
Ba 0.841 0.159 0.750
Ba 0.841 0.682 0.750
Ba 0.159 0.841 0.250
Ba 0.682 0.841 0.250
Bi 0.333 0.667 0.750
Bi 0.667 0.333 0.250
N 0.000 0.000 0.000
N 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TbTaO4.
The Raman spectrum shows main peaks at: 236.2cm-1(0.04), 317.3cm-1(0.16), 341.2cm-1(0.25), 441.5cm-1(0.05), 474.9cm-1(0.06), 656.3cm-1(0.11), 699.2cm-1(0.05), 809.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-554593 | 236.2cm-1(0.04), 317.3cm-1(0.16), 341.2cm-1(0.25), 441.5cm-1(0.05), 474.9cm-1(0.06), 656.3cm-1(0.11), 699.2cm-1(0.05), 809.0cm-1(1.0) | 6.48 6.48 5.05
110 110 115
Tb 0.632 0.368 0.250
Tb 0.368 0.632 0.750
Ta 0.900 0.100 0.750
Ta 0.100 0.900 0.250
O 0.788 0.728 0.785
O 0.946 0.367 0.659
O 0.212 0.272 0.215
O 0.367 0.946 0.159
O 0.272 0.212 0.715
O 0.633 0.054 0.841
O 0.054 0.633 0.341
O 0.728 0.788 0.285 |
Below is a description of a material. | The chemical formula is: SrCl2.
The Raman spectrum shows main peaks at: 178.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-23209 | 178.9cm-1(1.0) | 4.89 4.89 4.89
60 60 60
Cl 0.750 0.750 0.750
Cl 0.250 0.250 0.250
Sr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg2BO3F.
The Raman spectrum shows main peaks at: 131.2cm-1(0.02), 298.2cm-1(0.09), 346.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7995 | 131.2cm-1(0.02), 298.2cm-1(0.09), 346.0cm-1(1.0) | 9.37 3.10 9.42
90 90 90
B 0.326 0.750 0.630
B 0.826 0.750 0.870
B 0.174 0.250 0.130
B 0.674 0.250 0.370
O 0.758 0.250 0.249
O 0.258 0.250 0.251
O 0.242 0.750 0.751
O 0.971 0.750 0.857
O 0.529 0.250 0.357
O 0.742 0.750 0.749
O 0.471 0.750 0.643
O 0.029 0.250 0.143
O 0.739 0.250 0.504
O 0.261 0.750 0.496
O 0.239 0.250 0.... |
Below is a description of a material. | The chemical formula is: RbBaPO4.
The Raman spectrum shows main peaks at: 93.0cm-1(0.05), 164.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-17832 | 93.0cm-1(0.05), 164.6cm-1(1.0) | 7.82 5.73 10.07
90 90 90
O 0.295 0.973 0.658
O 0.705 0.473 0.342
O 0.795 0.527 0.842
O 0.205 0.027 0.158
O 0.705 0.027 0.342
O 0.295 0.527 0.658
O 0.205 0.473 0.158
O 0.795 0.973 0.842
O 0.968 0.250 0.417
O 0.032 0.750 0.583
O 0.468 0.250 0.083
O 0.532 0.750 0.917
O 0.800 0.750 0.061
O 0.200 0.250 0.939
O 0.300 0.750 0... |
Below is a description of a material. | The chemical formula is: HgSeO3.
The Raman spectrum shows main peaks at: 88.2cm-1(0.09), 140.7cm-1(0.1), 221.9cm-1(0.47), 269.6cm-1(0.08), 298.2cm-1(0.04), 427.1cm-1(0.48), 646.7cm-1(0.06), 780.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9228 | 88.2cm-1(0.09), 140.7cm-1(0.1), 221.9cm-1(0.47), 269.6cm-1(0.08), 298.2cm-1(0.04), 427.1cm-1(0.48), 646.7cm-1(0.06), 780.4cm-1(1.0) | 6.16 8.28 5.91
90 90 90
O 0.198 0.913 0.120
O 0.302 0.087 0.620
O 0.698 0.587 0.380
O 0.802 0.413 0.880
O 0.802 0.087 0.880
O 0.698 0.913 0.380
O 0.302 0.413 0.620
O 0.198 0.587 0.120
O 0.140 0.750 0.729
O 0.360 0.250 0.229
O 0.640 0.750 0.771
O 0.860 0.250 0.271
Se 0.943 0.250 1.000
Se 0.557 0.750 0.500
Se 0.443 0.250... |
Below is a description of a material. | The chemical formula is: Ta2Pt3S8.
The Raman spectrum shows main peaks at: 64.3cm-1(0.34), 93.0cm-1(0.72), 164.6cm-1(0.54), 245.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-560046 | 64.3cm-1(0.34), 93.0cm-1(0.72), 164.6cm-1(0.54), 245.7cm-1(1.0) | 10.45 14.39 3.43
90 90 90
Ta 0.199 0.122 0.500
Ta 0.301 0.622 0.500
Ta 0.801 0.878 0.500
Ta 0.699 0.378 0.500
Pt 0.861 0.275 0.000
Pt 0.139 0.725 0.000
Pt 0.361 0.225 0.000
Pt 0.639 0.775 0.000
Pt 0.500 0.500 0.000
Pt 0.000 0.000 0.000
S 0.067 0.627 0.500
S 0.223 0.999 0.000
S 0.433 0.127 0.500
S 0.468 0.659 0.000
S 0.... |
Below is a description of a material. | The chemical formula is: Na2H6PtO6.
The Raman spectrum shows main peaks at: 241.0cm-1(0.03), 326.9cm-1(0.06), 346.0cm-1(0.15), 536.9cm-1(1.0), 804.3cm-1(0.09), 837.7cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-632760 | 241.0cm-1(0.03), 326.9cm-1(0.06), 346.0cm-1(0.15), 536.9cm-1(1.0), 804.3cm-1(0.09), 837.7cm-1(0.04) | 5.86 5.86 4.39
90 90 120
Na 0.667 0.333 0.046
Na 0.333 0.667 0.954
H 0.675 0.816 0.426
H 0.184 0.859 0.426
H 0.141 0.325 0.426
H 0.325 0.184 0.574
H 0.816 0.141 0.574
H 0.859 0.675 0.574
Pt 0.000 0.000 0.000
O 0.705 0.720 0.256
O 0.280 0.986 0.256
O 0.014 0.295 0.256
O 0.295 0.280 0.744
O 0.720 0.014 0.744
O 0.986 0.70... |
Below is a description of a material. | The chemical formula is: PNO.
The Raman spectrum shows main peaks at: 212.3cm-1(0.04), 436.7cm-1(1.0), 503.5cm-1(0.05), 813.8cm-1(0.11), 875.9cm-1(0.05), 895.0cm-1(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-36066 | 212.3cm-1(0.04), 436.7cm-1(1.0), 503.5cm-1(0.05), 813.8cm-1(0.11), 875.9cm-1(0.05), 895.0cm-1(0.06) | 4.67 4.67 4.64
117 117 90
N 0.743 0.383 0.252
N 0.383 0.743 0.752
O 0.881 0.002 0.748
O 0.002 0.881 0.248
P 0.730 0.010 0.000
P 0.010 0.730 0.500 |
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