action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
SuperCellAction | d4fcb489-662a-4035-9186-218be4797ba8 | mp-1177049 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O24Li6Co3NiP6O24Li6Co3NiP6O24Li6Co3NiP6O24Li6Co3NiP6O24Li6Co3NiP6O24
_chemical_formula_sum "Li36 Co18 Ni6 P36 O144"
_cell_length_a 8.412915
_cell_length_b 25.431087540000004
_cell_length_c 17.01077228
_cell_angle_alpha 62.4531916... |
SuperCellAction | 89824914-e8c1-4c44-a2f5-d37e19a956c6 | mp-2715503 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na48 Sc16 Si16 Ge16 P32 O192"
_cell_length_a 30.70161338
_cell_length_b 17.8508598
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 6d2c1bc5-6c93-4242-b5e2-8adacc6d8434 | mp-12885 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7BaAl2Sb2O7BaAl2Sb2O7
_chemical_formula_sum "Ba3 Al6 Sb6 O21"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 26.30733093
_cell_angle_alpha 36.630989770000006
_cell_angle_beta 36.63098977
_cell_angle_gamma ... |
SuperCellAction | 5eb4de16-f4a1-4f8d-954d-7cb6c9faedfe | mp-540706 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8O22Na4Nb8O22Na4Nb8O22
_chemical_formula_sum "Na12 Nb24 O66"
_cell_length_a 38.82747777
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.209280090000004
_cell_angle_gam... |
SuperCellAction | fad33c57-d1f3-4fd8-ba4a-2688a62a81c5 | mp-1588 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural C22F14
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group_name... | data_image0
_chemical_formula_structural C22F14C22F14C22F14C22F14C22F14C22F14
_chemical_formula_sum "C132 F84"
_cell_length_a 18.40253535
_cell_length_b 6.134178450000001
_cell_length_c 27.5890317
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma ... |
SuperCellAction | 3611da70-49fd-493e-a50e-e858abf396fa | mp-1219046 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Sn4Sb2S4I6
_chemical_formula_sum "Sn4 Sb2 S4 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sn4Sb2S4I6Sn4Sb2S4I6Sn4Sb2S4I6Sn4Sb2S4I6
_chemical_formula_sum "Sn16 Sb8 S16 I24"
_cell_length_a 15.5523536
_cell_length_b 7.7761768
_cell_length_c 34.922606
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.6884597... |
SuperCellAction | 81d54627-b9b2-4159-b052-3a79d6ee7e0d | mp-1177331 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li4MnCrO6
_chemical_formula_sum "Li4 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_gr... | data_image0
_chemical_formula_structural Li4MnCrO6Li4MnCrO6Li4MnCrO6Li4MnCrO6
_chemical_formula_sum "Li16 Mn4 Cr4 O24"
_cell_length_a 5.00452286
_cell_length_b 10.00903886
_cell_length_c 10.22821554
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma ... |
SuperCellAction | eb17d5f1-7555-4055-a35f-419e7553465f | mp-1028157 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCu
_chemical_formula_sum "Mg84 Mn6 Cu6"
_cell_length_a 12.51838616
_cell_length_b 18.77579064
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | d88b0c7f-da2a-4b97-9791-2d702b34d6b3 | mp-556659 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural La12Ti4Cl20O16
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La12Ti4Cl20O16La12Ti4Cl20O16La12Ti4Cl20O16
_chemical_formula_sum "La36 Ti12 Cl60 O48"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 50.863419
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 9b4713a3-896f-4c26-b023-0dd4e086b6af | mp-1245478 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12
_chemical_formula_sum "Cr24 Fe48 N72"
_cell_length_a 5.03270613
_cell_length_b 17.3512151
_cell_length_c 29.764263029999995
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.195644... |
SuperCellAction | 55a241fc-1891-4418-a3a1-b11b81ee8b93 | mp-1177387 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58
_chemical_formula_sum "Li32 V24 P64 O232"
_cell_length_a 38.97261652
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle... |
SuperCellAction | 3bbb24b0-a13c-4846-a705-19cbb25849bf | mp-753678 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural BaW6O18
_chemical_formula_sum "Ba1 W6 O18"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaW6O18BaW6O18BaW6O18BaW6O18BaW6O18BaW6O18
_chemical_formula_sum "Ba6 W36 O108"
_cell_length_a 14.814977
_cell_length_b 22.222465500000002
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.... |
SuperCellAction | 9eb76612-a778-42f8-9491-db3cbce95e7a | mp-1522146 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Ba4Na4Ce4Nb4O24
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O24"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Na4Ce4Nb4O24Ba4Na4Ce4Nb4O24Ba4Na4Ce4Nb4O24Ba4Na4Ce4Nb4O24
_chemical_formula_sum "Ba16 Na16 Ce16 Nb16 O96"
_cell_length_a 17.01855372
_cell_length_b 17.04448676
_cell_length_c 8.47541748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 1c4295eb-4728-46b3-bd5e-234f91f1b465 | mp-1111777 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural CsRb2SbCl6
_chemical_formula_sum "Cs1 Rb2 Sb1 Cl6"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural CsRb2SbCl6CsRb2SbCl6
_chemical_formula_sum "Cs2 Rb4 Sb2 Cl12"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 16.73047172
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
SuperCellAction | e84e9666-2146-45f5-8a22-d480186bb961 | mp-760791 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li8Cu10F34
_chemical_formula_sum "Li8 Cu10 F34"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_space_grou... | data_image0
_chemical_formula_structural Li8Cu10F34Li8Cu10F34Li8Cu10F34Li8Cu10F34Li8Cu10F34Li8Cu10F34Li8Cu10F34Li8Cu10F34
_chemical_formula_sum "Li64 Cu80 F272"
_cell_length_a 6.453074
_cell_length_b 37.98983608
_cell_length_c 22.75552426
_cell_angle_alpha 103.388009
_cell_angle_... |
SuperCellAction | 0a61d963-607c-40bf-b66f-a49c0e514137 | mp-1236434 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr16 Li4 Mn8 Cu12 S16 O16"
_cell_length_a 5.91148118
_cell_length_b 23.60023372
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_b... |
SuperCellAction | ecc8c977-e12c-4952-b405-14f342d32b81 | mp-766011 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10
_chemical_formula_sum "Li12 V4 Cr4 P8 H8 O40"
_cell_length_a 10.45648684
_cell_length_b 11.152443519999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta... |
SuperCellAction | 43aa5752-ac26-4efe-be20-f4d8321c2a6e | mp-1193261 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8
_chemical_formula_sum "Cs16 H16 C16 N32 O32"
_cell_length_a 9.751364
_cell_length_b 27.434684
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle... |
SuperCellAction | 4a5e2a23-c05d-48e7-97b3-1d654a5688bd | mp-600154 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24K4Cu2H16C8O24K4Cu2H16C8O24K4Cu2H16C8O24
_chemical_formula_sum "K16 Cu8 H64 C32 O96"
_cell_length_a 14.876185
_cell_length_b 7.78468
_cell_length_c 22.82627784
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 8bb9089d-1c32-4e56-97da-d9e176bb4bc3 | mp-1173945 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10Li6Mn4O10Li6Mn4O10Li6Mn4O10
_chemical_formula_sum "Li24 Mn16 O40"
_cell_length_a 2.88677384
_cell_length_b 39.50110536
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_ga... |
SuperCellAction | 8f200b14-999b-4976-a631-734dae7c361c | mp-1110982 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Cs2NaCeF6
_chemical_formula_sum "Cs2 Na1 Ce1 F6"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2NaCeF6Cs2NaCeF6Cs2NaCeF6Cs2NaCeF6
_chemical_formula_sum "Cs8 Na4 Ce4 F24"
_cell_length_a 6.63440109
_cell_length_b 13.26880218
_cell_length_c 13.26880218
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_a... |
SuperCellAction | 0ce921f0-00b1-407b-b24f-f1662676b025 | mp-1034441 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16
_chemical_formula_sum "Mg112 Cr8 Sn8 O128"
_cell_length_a 17.5394508
_cell_length_b 8.66107133
_cell_length_c 17.44861768
_cell_angle_alpha 90.0
_cell... |
SuperCellAction | c88fc001-a674-46e4-9278-06e281906273 | mp-18288 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Ti4Sn8O16
_chemical_formula_sum "Ti4 Sn8 O16"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ti4Sn8O16Ti4Sn8O16Ti4Sn8O16Ti4Sn8O16Ti4Sn8O16Ti4Sn8O16
_chemical_formula_sum "Ti24 Sn48 O96"
_cell_length_a 25.59986385
_cell_length_b 8.53328795
_cell_length_c 11.86031944
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 26852381-9709-4747-9bd5-acdca9e9f2d9 | mp-1520090 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O12LiLaFe4O12LiLaFe4O12LiLaFe4O12LiLaFe4O12LiLaFe4O12LiLaFe4O12LiLaFe4O12
_chemical_formula_sum "Li8 La8 Fe32 O96"
_cell_length_a 10.51731672
_cell_length_b 10.51731672
_cell_length_c 15.48015858
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 780674cb-4862-4a03-a4e1-180243ce7388 | mp-1100809 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Zr3Cu6Cl18
_chemical_formula_sum "Zr3 Cu6 Cl18"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
_space_... | data_image0
_chemical_formula_structural Zr3Cu6Cl18Zr3Cu6Cl18Zr3Cu6Cl18Zr3Cu6Cl18
_chemical_formula_sum "Zr12 Cu24 Cl72"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 24.23141684
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gam... |
SuperCellAction | d4d6fce0-012d-4926-927c-0d5d4a8f6bd7 | mp-1030723 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Te2Mo3WSe2S4
_chemical_formula_sum "Te2 Mo3 W1 Se2 S4"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Te2Mo3WSe2S4Te2Mo3WSe2S4Te2Mo3WSe2S4Te2Mo3WSe2S4
_chemical_formula_sum "Te8 Mo12 W4 Se8 S16"
_cell_length_a 6.6144552
_cell_length_b 3.3072276
_cell_length_c 75.149326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 1... |
SuperCellAction | a54219f9-1713-4ee3-95cf-4c9945f3a415 | mp-1195679 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Cs4Th2Si12O30Cs4Th2Si12O30
_chemical_formula_sum "Cs12 Th6 Si36 O90"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 41.02974132
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.8954... |
SuperCellAction | 8374eb0f-a618-41c7-befd-ca0fefc7e56b | mp-3855 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16
_chemical_formula_sum "Na32 Be16 F64"
_cell_length_a 15.82802712
_cell_length_b 11.0090633
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 6435fb44-039a-4451-8e1b-799f10357706 | mp-1224658 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2
_chemical_formula_sum "Ho24 Fe204 C12"
_cell_length_a 16.49973
_cell_length_b 8.5140411
_cell_length_c 25.61631327
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | c74ed4bc-778a-4398-a06b-ec26f618730d | mp-765689 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12
_chemical_formula_sum "Li64 Co48 O32 F96"
_cell_length_a 5.26384155
_cell_length_b 23.7730118
_cell_length_c 20.89802022
_cell_angle_alpha 89.02161268... |
SuperCellAction | 7f88dc20-f7cc-42e3-8366-10c772a7d7d6 | mp-628715 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural K4Eu4P4Se16
_chemical_formula_sum "K4 Eu4 P4 Se16"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K4Eu4P4Se16K4Eu4P4Se16K4Eu4P4Se16K4Eu4P4Se16K4Eu4P4Se16K4Eu4P4Se16
_chemical_formula_sum "K24 Eu24 P24 Se96"
_cell_length_a 6.82166288
_cell_length_b 13.8809096
_cell_length_c 52.263435869999995
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 8ee5482a-8c74-424c-8563-4f2e6935b70a | mp-510604 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mn32O48
_chemical_formula_sum "Mn32 O48"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mn32O48Mn32O48Mn32O48Mn32O48
_chemical_formula_sum "Mn128 O192"
_cell_length_a 9.41886143
_cell_length_b 18.8414265
_cell_length_c 18.83855942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 5e858fb4-f7da-409b-be7f-65b1a6bd1c46 | mp-1209619 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Rb3BiF6Rb3BiF6
_chemical_formula_sum "Rb9 Bi3 F18"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 21.93875745
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302
_cell_angle_gamma 128.61156764
_sp... |
SuperCellAction | da3aefed-bf27-4f40-8dcb-3fafcd4674e0 | mp-1176176 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_space_gr... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li54 Mn12 Co30 O96"
_cell_length_a 9.06816
_cell_length_b 9.76787124
_cell_length_c 19.9798985
_cell_angle_alpha 87.31177365
_cell_angle_beta ... |
SuperCellAction | 8175b5d4-7c9c-4b1b-824d-37b42e6c743d | mp-1193514 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Sr2V6O22
_chemical_formula_sum "Sr2 V6 O22"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Sr2V6O22Sr2V6O22Sr2V6O22Sr2V6O22Sr2V6O22Sr2V6O22Sr2V6O22Sr2V6O22
_chemical_formula_sum "Sr16 V48 O176"
_cell_length_a 22.456524
_cell_length_b 10.578704
_cell_length_c 18.14600906
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 6ab11d7c-c1ea-4b57-acc1-86b3992a5ed0 | mp-735491 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12CaMg2H24Cl6O12CaMg2H24Cl6O12CaMg2H24Cl6O12
_chemical_formula_sum "Ca4 Mg8 H96 Cl24 O48"
_cell_length_a 33.111296
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_be... |
SuperCellAction | aeaacb14-46dc-4c32-823b-aa3d5f840600 | mp-28118 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Al2Sb2I12
_chemical_formula_sum "Al2 Sb2 I12"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_group_nam... | data_image0
_chemical_formula_structural Al2Sb2I12Al2Sb2I12Al2Sb2I12
_chemical_formula_sum "Al6 Sb6 I36"
_cell_length_a 22.54540407
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.4978427... |
SuperCellAction | 2b2e0187-9dd3-4bea-9d4b-73ca8aa0e432 | mp-1201107 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16
_chemical_formula_sum "Zn12 B120 H312 O96"
_cell_length_a 6.908729
_cell_length_b 14.87898956
_cell_length_c 55.436611019999994
_cell_angle_alpha 80.44130898999998
_c... |
SuperCellAction | 2e8f64ae-cfc6-4b51-bb12-9c669840f1de | mp-2232505 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8
_chemical_formula_sum "Ba8 Y4 Mg4 Fe12 O32"
_cell_length_a 15.95892504
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | dcfd7dab-a09f-422f-b404-56e495ff5750 | mp-1205853 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4
_chemical_formula_sum "Nd24 In12 Au24"
_cell_length_a 24.128550930000003
_cell_length_b 16.08570062
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | fa8d18c1-534b-462a-8f34-cd783019a90e | mp-636519 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8
_chemical_formula_sum "Ni12 Rh24 O48"
_cell_length_a 17.90361366
_cell_length_b 12.29673014
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_an... |
SuperCellAction | fdea3bfb-6d40-489d-a374-b0a6ac23442a | mp-20268 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4Ti4Ge4Pd4
_chemical_formula_sum "Ti8 Ge8 Pd8"
_cell_length_a 3.84471038
_cell_length_b 12.8044962
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.999999... |
SuperCellAction | 7b256ee3-e82a-4d14-b93b-aee67df70b34 | mp-2235569 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5
_chemical_formula_sum "Sr3 Co2 Cu2 S2 O5"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.06672837
_sp... | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5Sr3Co2Cu2S2O5Sr3Co2Cu2S2O5Sr3Co2Cu2S2O5
_chemical_formula_sum "Sr12 Co8 Cu8 S8 O20"
_cell_length_a 15.6531232
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.1919895199... |
SuperCellAction | 5811f59f-1135-452e-8497-8609f246b252 | mp-1028272 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSnMg14TiSnMg14TiSnMg14TiSnMg14TiSnMg14TiSnMg14TiSnMg14TiSn
_chemical_formula_sum "Mg112 Ti8 Sn8"
_cell_length_a 12.6284294
_cell_length_b 12.628428399999999
_cell_length_c 20.7756296
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | ede8f2b5-5ba8-4dc6-a25b-c30eca7497d4 | mp-1238117 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Hg2H8C24O6F16
_chemical_formula_sum "Hg2 H8 C24 O6 F16"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99.99777... | data_image0
_chemical_formula_structural Hg2H8C24O6F16Hg2H8C24O6F16Hg2H8C24O6F16Hg2H8C24O6F16Hg2H8C24O6F16Hg2H8C24O6F16Hg2H8C24O6F16Hg2H8C24O6F16
_chemical_formula_sum "Hg16 H64 C192 O48 F128"
_cell_length_a 14.78859
_cell_length_b 8.291968700000002
_cell_length_c 46.911330279999994... |
SuperCellAction | 42b812cf-05c7-4e32-a8e1-d62e143f7de6 | mp-608551 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ti2Al4Br16Ti2Al4Br16
_chemical_formula_sum "Ti4 Al8 Br32"
_cell_length_a 6.402735
_cell_length_b 20.93878
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 39ea1ee9-5433-4ffb-90de-d7e13314a35b | mp-1219192 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6
_chemical_formula_sum "Sm8 Er8 Ti16 Fe128 Co48"
_cell_length_a 9.422716
_cell_length_b 25.7075644
_cell_length_c 11.94269413
_cel... |
SuperCellAction | e92872e3-c360-46dd-b757-ef08fb7500d4 | mp-1517276 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6KPrYSbO6KPrYSbO6
_chemical_formula_sum "K3 Pr3 Y3 Sb3 O18"
_cell_length_a 17.73651636
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma... |
SuperCellAction | c7d59340-7c00-427b-96dc-c1998af54b86 | mp-1246768 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Sn10Ge4N12
_chemical_formula_sum "Sn10 Ge4 N12"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_space_g... | data_image0
_chemical_formula_structural Sn10Ge4N12Sn10Ge4N12Sn10Ge4N12
_chemical_formula_sum "Sn30 Ge12 N36"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 44.31554976
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 1... |
SuperCellAction | 3661e68a-7b08-41dd-a427-f02ff833b14c | mp-755923 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.79104959
_... | data_image0
_chemical_formula_structural Fe6O7F5Fe6O7F5Fe6O7F5Fe6O7F5Fe6O7F5Fe6O7F5Fe6O7F5Fe6O7F5
_chemical_formula_sum "Fe48 O56 F40"
_cell_length_a 22.68840528
_cell_length_b 5.6721013199999994
_cell_length_c 15.354247619999999
_cell_angle_alpha 68.84161360999998
_cell_angle_be... |
SuperCellAction | 70237fa4-7aa2-4768-9047-a0c21605ee3d | mp-1195679 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Cs4Th2Si12O30Cs4Th2Si12O30Cs4Th2Si12O30
_chemical_formula_sum "Cs16 Th8 Si48 O120"
_cell_length_a 7.31475292
_cell_length_b 36.11615196
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 5384e599-97db-4833-95bc-83ef39a1e2ab | mp-1035335 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mg14TiCuO16
_chemical_formula_sum "Mg14 Ti1 Cu1 O16"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg14TiCuO16Mg14TiCuO16Mg14TiCuO16Mg14TiCuO16
_chemical_formula_sum "Mg56 Ti4 Cu4 O64"
_cell_length_a 17.14418744
_cell_length_b 17.23785444
_cell_length_c 4.23942272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 4f3eaa8b-5164-4cdb-bbae-4a665281e9ec | mp-569221 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18
_chemical_formula_sum "Sm16 C96 N144"
_cell_length_a 14.20145198
_cell_length_b 7.10072599
_cell_length_c 42.370868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 65d02df5-baf3-40e3-aa44-4ff7958a50d1 | mp-1522640 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeO6CaCeEuGeO6
_chemical_formula_sum "Ca2 Ce2 Eu2 Ge2 O12"
_cell_length_a 5.86875998
_cell_length_b 11.73751996
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | 3e67bab8-1aee-482c-859c-871eca3f470d | mp-1239174 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16Ti4Cr4Cu4S16Ti4Cr4Cu4S16Ti4Cr4Cu4S16
_chemical_formula_sum "Ti16 Cr16 Cu16 S64"
_cell_length_a 5.730751
_cell_length_b 28.144872
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | a6d1563e-64ea-4c30-a9b4-a29a4af3a0da | mp-29429 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Te8C8F24
_chemical_formula_sum "Te8 C8 F24"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Te8C8F24Te8C8F24Te8C8F24Te8C8F24
_chemical_formula_sum "Te32 C32 F96"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 41.79331012
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | b9efccd3-9090-4997-bc2a-69487ae61fa5 | mp-1022061 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2
_chemical_formula_sum "La16 Mg96 Ni16"
_cell_length_a 19.339212
_cell_length_b 6.266038
_cell_length_c 24.413712
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 5d56c2e2-e06b-45fa-8306-c292c4aa1505 | mp-866339 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24Cd4P8O24Cd4P8O24Cd4P8O24Cd4P8O24Cd4P8O24
_chemical_formula_sum "Cd24 P48 O144"
_cell_length_a 7.57599934
_cell_length_b 22.727998020000005
_cell_length_c 20.89913688
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_c... |
SuperCellAction | 41de198d-c64a-4936-a623-2690e4678863 | mp-849652 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu3O10Li3Ti2Cu3O10Li3Ti2Cu3O10Li3Ti2Cu3O10
_chemical_formula_sum "Li12 Ti8 Cu12 O40"
_cell_length_a 5.13238304
_cell_length_b 21.26556628
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001... |
SuperCellAction | eb3655f8-0b50-4c8c-8273-76c83242a5bc | mp-2228508 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural MgMn4FeO8
_chemical_formula_sum "Mg1 Mn4 Fe1 O8"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491367000... | data_image0
_chemical_formula_structural MgMn4FeO8MgMn4FeO8MgMn4FeO8MgMn4FeO8MgMn4FeO8MgMn4FeO8
_chemical_formula_sum "Mg6 Mn24 Fe6 O48"
_cell_length_a 12.34647832
_cell_length_b 18.50682708
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389... |
SuperCellAction | f8523529-45bc-44a2-a526-aa8bc789b651 | mp-731924 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24
_chemical_formula_sum "V24 P24 H120 N24 O144"
_cell_length_a 6.879497
_cell_length_b 18.326866
_cell_length_c 28.991202
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | 74ce983d-4931-45c4-baae-73b217386090 | mp-532384 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Dy16Ti16O56
_chemical_formula_sum "Dy16 Ti16 O56"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.605854029999996
... | data_image0
_chemical_formula_structural Dy16Ti16O56Dy16Ti16O56Dy16Ti16O56
_chemical_formula_sum "Dy48 Ti48 O168"
_cell_length_a 7.24247993
_cell_length_b 21.727439790000002
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamm... |
SuperCellAction | 36f09887-f018-4700-b41d-8b71897f945b | mp-558603 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18K4Si8O18K4Si8O18K4Si8O18
_chemical_formula_sum "K16 Si32 O72"
_cell_length_a 9.87780962
_cell_length_b 16.69284132
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.076... |
SuperCellAction | e3b65ef0-d7d4-4623-9721-b67c7ffc298d | mp-568053 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12Pt
_chemical_formula_sum "Tb32 Ga96 Pt8"
_cell_length_a 14.8410897
_cell_length_b 29.682179519999995
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell... |
SuperCellAction | 8016e407-afb4-4500-898d-50437a8e0c71 | mp-1220625 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural Nd4Si7Nd4Si7Nd4Si7Nd4Si7Nd4Si7Nd4Si7
_chemical_formula_sum "Nd24 Si42"
_cell_length_a 9.802491
_cell_length_b 11.178658
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 75047904-b287-4f41-86b0-a99d9e9bc97a | mp-1035395 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16
_chemical_formula_sum "Mg56 V4 Cu4 O64"
_cell_length_a 34.227272
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 1a0833a5-0121-4882-89a1-6a89c26fb496 | mp-771159 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16
_chemical_formula_sum "Li16 V24 W8 O64"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 24.144313679999996
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.618276039... |
SuperCellAction | ae4070aa-c5b8-4b3f-be16-2e4411124420 | mp-1198355 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44
_chemical_formula_sum "Sr24 B132 O264"
_cell_length_a 41.906216
_cell_length_b 20.146230000000003
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.... |
SuperCellAction | fb2241ed-9ce3-4829-82eb-43ac3ec3f7cc | mp-1199595 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2
_chemical_formula_sum "Mn4 Sn16 H96 C32 Se40 N8"
_cell_length_a 43.66663852
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_a... |
SuperCellAction | f5c4b400-ffea-462b-a034-521b44d9ab5e | mp-28355 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10
_chemical_formula_sum "Na24 Ge12 Se30"
_cell_length_a 21.20429712
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.694... |
SuperCellAction | 71f0c5a9-41bf-4148-9a1d-78958f51f816 | mp-1217055 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Ti2Al2Fe2O10
_chemical_formula_sum "Ti2 Al2 Fe2 O10"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ti2Al2Fe2O10Ti2Al2Fe2O10Ti2Al2Fe2O10Ti2Al2Fe2O10Ti2Al2Fe2O10Ti2Al2Fe2O10Ti2Al2Fe2O10Ti2Al2Fe2O10
_chemical_formula_sum "Ti16 Al16 Fe16 O80"
_cell_length_a 5.22937343
_cell_length_b 10.45874686
_cell_length_c 38.981304
_cell_angle_alpha 90.... |
SuperCellAction | ca5744bb-8119-49df-9f68-053d6aa05c59 | mp-753639 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Li2Ti2P2C2O14
_chemical_formula_sum "Li2 Ti2 P2 C2 O14"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Ti2P2C2O14Li2Ti2P2C2O14Li2Ti2P2C2O14
_chemical_formula_sum "Li6 Ti6 P6 C6 O42"
_cell_length_a 19.343085000000002
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 4eaaf2d1-998f-4117-bb20-429581896f7b | mp-861612 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16
_chemical_formula_sum "Cr6 Fe6 P12 O48"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 29.896210500000002
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | cc2ac0ec-45e8-4e08-ba6e-de8e3e308960 | mp-1078353 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12
_chemical_formula_sum "Mn12 Pb24 W12 O72"
_cell_length_a 5.80682125
_cell_length_b 17.42803581
_cell_length_c 20.10931348
_cell_angle_alpha 73.28351843
_cell_angle_beta ... |
SuperCellAction | 16799ea3-d32c-440f-8fa1-75c41d8eb811 | mp-740718 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24
_chemical_formula_sum "Al48 H288 N96 Cl144"
_cell_length_a 19.760514
_cell_length_b 23.010072
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | c50cf6b7-9cdb-4faa-8405-35bbb2918487 | mp-1206019 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Ce4SiI5
_chemical_formula_sum "Ce4 Si1 I5"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_group_n... | data_image0
_chemical_formula_structural Ce4SiI5Ce4SiI5Ce4SiI5Ce4SiI5Ce4SiI5Ce4SiI5
_chemical_formula_sum "Ce24 Si6 I30"
_cell_length_a 20.22322512
_cell_length_b 30.33483768
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma... |
SuperCellAction | f599cf43-4a10-4801-93b5-4726266acd09 | mp-1099219 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural CsMg14SiO16
_chemical_formula_sum "Cs1 Mg14 Si1 O16"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural CsMg14SiO16CsMg14SiO16CsMg14SiO16CsMg14SiO16
_chemical_formula_sum "Cs4 Mg56 Si4 O64"
_cell_length_a 35.161292
_cell_length_b 8.790323
_cell_length_c 4.468321
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | f5d326bf-3086-4708-8785-9362c5225cbd | mp-1218673 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51Sr4Zn51Sr4Zn51
_chemical_formula_sum "Sr12 Zn153"
_cell_length_a 44.88290265
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.904678679999996
_cell_angle... |
SuperCellAction | 03a4a8df-6b5a-4d06-9df8-a91d7cbb7604 | mp-1176271 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.20262448... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 20.156268
_cell_length_b 10.210532059999998
_cell_length_c 11.79768582
_cell_angle_alp... |
SuperCellAction | d4de0dd3-1b6d-45dc-9bbd-129300c9b1ae | mp-777649 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li8Mn7FeB8O24
_chemical_formula_sum "Li8 Mn7 Fe1 B8 O24"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7361999
_... | data_image0
_chemical_formula_structural Li8Mn7FeB8O24Li8Mn7FeB8O24Li8Mn7FeB8O24Li8Mn7FeB8O24Li8Mn7FeB8O24Li8Mn7FeB8O24Li8Mn7FeB8O24Li8Mn7FeB8O24
_chemical_formula_sum "Li64 Mn56 Fe8 B64 O192"
_cell_length_a 21.019016
_cell_length_b 8.29364163
_cell_length_c 24.252551559999997
_cell... |
SuperCellAction | a1611f94-f874-4a84-b695-b8cf60eba038 | mp-1522988 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Na2BiWO6
_chemical_formula_sum "Na2 Bi1 W1 O6"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na2BiWO6Na2BiWO6Na2BiWO6
_chemical_formula_sum "Na6 Bi3 W3 O18"
_cell_length_a 17.61422358
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_g... |
SuperCellAction | edf072d6-943e-45b1-87d8-cced79bf5e2f | mp-608551 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ti2Al4Br16Ti2Al4Br16
_chemical_formula_sum "Ti4 Al8 Br32"
_cell_length_a 6.402735
_cell_length_b 20.93878
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 0daf3250-f838-4d83-b7c6-f57a1c0e5d3c | mp-995217 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12H8C12H8C12H8C12
_chemical_formula_sum "H32 C48"
_cell_length_a 7.1561848
_cell_length_b 14.3123696
_cell_length_c 7.68709888
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_spac... |
SuperCellAction | 67ee817f-e85a-4ff2-a566-23b8dc4183d8 | mp-757370 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24
_chemical_formula_sum "Ti20 Fe44 O96"
_cell_length_a 5.539158
_cell_length_b 36.59400232
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_ga... |
SuperCellAction | 46f844fc-13cd-4ad1-807d-95a0e0416c6d | mp-556670 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Mn4H24S4O24
_chemical_formula_sum "Mn4 H24 S4 O24"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mn4H24S4O24Mn4H24S4O24Mn4H24S4O24Mn4H24S4O24Mn4H24S4O24Mn4H24S4O24Mn4H24S4O24Mn4H24S4O24
_chemical_formula_sum "Mn32 H192 S32 O192"
_cell_length_a 5.674621
_cell_length_b 38.427452
_cell_length_c 19.848092
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | a88f50f3-e4e4-44bb-8859-95930f16a32e | mp-1210531 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36Pr14Br6O36Pr14Br6O36Pr14Br6O36
_chemical_formula_sum "Pr56 Br24 O144"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 17.514988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000001... |
SuperCellAction | 53bdc74f-c912-4e02-8065-414b44a62997 | mp-1177033 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48
_chemical_formula_sum "Li96 Mn48 V16 P96 O384"
_cell_length_a 17.224798
_cell_length_b 17.446605
_cell_length_c 24.741765... |
SuperCellAction | 0223543d-b7bb-46cc-bb13-e943d5a368cc | mp-1224634 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24In9Ga3Bi4S24In9Ga3Bi4S24In9Ga3Bi4S24
_chemical_formula_sum "In36 Ga12 Bi16 S96"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 50.39607012
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 0a429965-8af3-430f-8161-82894b7c8ee9 | mp-781014 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Li4V4P8H4O32
_chemical_formula_sum "Li4 V4 P8 H4 O32"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... | data_image0
_chemical_formula_structural Li4V4P8H4O32Li4V4P8H4O32Li4V4P8H4O32Li4V4P8H4O32
_chemical_formula_sum "Li16 V16 P32 H16 O128"
_cell_length_a 29.922828
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97... |
SuperCellAction | b121c445-e43d-47ca-bf1a-fcbd30a4ad6c | mp-1199930 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Y4Co28Cu6
_chemical_formula_sum "Y4 Co28 Cu6"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Co28Cu6Y4Co28Cu6Y4Co28Cu6Y4Co28Cu6
_chemical_formula_sum "Y16 Co112 Cu24"
_cell_length_a 16.63644922
_cell_length_b 8.31822461
_cell_length_c 16.294396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_... |
SuperCellAction | f1f4cd7b-5e1a-4a16-901f-9930ce655414 | mp-1999 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Sb8O12
_chemical_formula_sum "Sb8 O12"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... | data_image0
_chemical_formula_structural Sb8O12Sb8O12Sb8O12Sb8O12Sb8O12Sb8O12Sb8O12Sb8O12
_chemical_formula_sum "Sb64 O96"
_cell_length_a 15.86860456
_cell_length_b 7.93430258
_cell_length_c 31.73720836
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_... |
SuperCellAction | ff436c44-b8a1-438b-8128-2b220f5fc129 | mp-753290 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10
_chemical_formula_sum "Fe48 O16 F80"
_cell_length_a 9.565248
_cell_length_b 5.7936
_cell_length_c 32.34764316
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 6c9111c0-2547-4845-b587-864cb4b8601a | mp-1201334 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12NiH20PdC4N4O12
_chemical_formula_sum "Ni2 H40 Pd2 C8 N8 O24"
_cell_length_a 14.381354
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
... |
SuperCellAction | 5516a2ee-a540-4331-8c1b-8b0e3897227e | mp-753829 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6Cr4O6Cr4O6Cr4O6
_chemical_formula_sum "Cr16 O24"
_cell_length_a 10.11484754
_cell_length_b 5.52757376
_cell_length_c 10.11485744
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.224... |
SuperCellAction | 725d5d7c-e04d-44ea-8a11-e5706dfc0f8b | mp-1182237 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Ba2Cl2O6
_chemical_formula_sum "Ba2 Cl2 O6"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba2Cl2O6Ba2Cl2O6
_chemical_formula_sum "Ba4 Cl4 O12"
_cell_length_a 8.160324
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | c1dc0328-2683-44f4-b963-056409a9649f | mp-1178874 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural V6H6O18
_chemical_formula_sum "V6 H6 O18"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6H6O18V6H6O18V6H6O18V6H6O18V6H6O18V6H6O18V6H6O18V6H6O18
_chemical_formula_sum "V48 H48 O144"
_cell_length_a 20.1826856
_cell_length_b 8.772322
_cell_length_c 15.99658942
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle... |
SuperCellAction | 7ad36f75-fa31-4b23-bd25-776bf8a32a01 | mp-1191760 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15Na5V2P3O15
_chemical_formula_sum "Na10 V4 P6 O30"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 21.30666746
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
... |
SuperCellAction | 8bea7132-b048-459e-ac7f-2cd3a6a8369f | mp-771159 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16
_chemical_formula_sum "Li24 V36 W12 O96"
_cell_length_a 12.23763284
_cell_length_b 31.67660097
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta ... |
SuperCellAction | 91b8f228-42cf-4d8f-9121-4a8c9aa715ed | mp-531238 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Cd12Ga24O48
_chemical_formula_sum "Cd12 Ga24 O48"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cd12Ga24O48Cd12Ga24O48Cd12Ga24O48
_chemical_formula_sum "Cd36 Ga72 O144"
_cell_length_a 6.17552206
_cell_length_b 18.526566179999996
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000006... |
SuperCellAction | a2abe5a3-0b8b-4f90-8def-97b463764469 | mp-6215 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6Ag2Hg2As2S6
_chemical_formula_sum "Ag4 Hg4 As4 S12"
_cell_length_a 6.59009171
_cell_length_b 13.18018342
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
... |
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