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