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 | e1d1518c-acd6-4fbc-bf4c-96ff3f539af9 | mp-504105 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 Li4P4W4O16Li4P4W4O16Li4P4W4O16Li4P4W4O16
_chemical_formula_sum "Li16 P16 W16 O64"
_cell_length_a 4.689516
_cell_length_b 24.496136
_cell_length_c 11.217227
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 79b2ce2c-c13f-4e45-8e3e-92d84d70e6c3 | mp-1239200 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32Na8Cr16S32Na8Cr16S32Na8Cr16S32
_chemical_formula_sum "Na32 Cr64 S128"
_cell_length_a 46.355928
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 9f96fbfb-7716-4ce0-80d7-4d33f95131b8 | mp-571622 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... | data_image0
_chemical_formula_structural Be12PtBe12PtBe12PtBe12PtBe12PtBe12PtBe12PtBe12Pt
_chemical_formula_sum "Be96 Pt8"
_cell_length_a 22.1495058
_cell_length_b 5.53737645
_cell_length_c 11.074752900000002
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angl... |
SuperCellAction | a63598db-f8cf-4316-98ee-31ec21eb5bf1 | mp-690490 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ti4V4O16Ti4V4O16Ti4V4O16Ti4V4O16
_chemical_formula_sum "Ti16 V16 O64"
_cell_length_a 3.003347
_cell_length_b 12.92659926
_cell_length_c 25.9991878
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 3d6b1b7d-3ffd-411f-a5a6-871d37723aef | mp-757606 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16
_chemical_formula_sum "Li16 Ni16 P16 O64"
_cell_length_a 5.49464502
_cell_length_b 24.958444320000005
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396... |
SuperCellAction | d87aabe2-30e2-43b4-a51e-54c70a398809 | mp-3188 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 Zn2Sb4O12Zn2Sb4O12Zn2Sb4O12Zn2Sb4O12
_chemical_formula_sum "Zn8 Sb16 O48"
_cell_length_a 9.3568592
_cell_length_b 4.6784296
_cell_length_c 18.60342208
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | cecd1252-ede8-4aee-ac89-2ad816dd7dd9 | mp-1096957 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48Cr24N48Cr24N48Cr24N48Cr24N48Cr24N48Cr24N48Cr24N48
_chemical_formula_sum "Cr192 N384"
_cell_length_a 22.22932
_cell_length_b 9.009159
_cell_length_c 58.302556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 4b9d114d-86a4-4f8f-820f-269b1779341a | mp-30533 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... | data_image0
_chemical_formula_structural K2Pt4S6K2Pt4S6K2Pt4S6K2Pt4S6K2Pt4S6K2Pt4S6K2Pt4S6K2Pt4S6
_chemical_formula_sum "K16 Pt32 S48"
_cell_length_a 30.4358124
_cell_length_b 15.21790954
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.514660... |
SuperCellAction | f0147a87-07d7-4b9c-b64d-b9034b54e193 | mp-1229042 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Al9Fe2Si4O24Al9Fe2Si4O24Al9Fe2Si4O24Al9Fe2Si4O24Al9Fe2Si4O24
_chemical_formula_sum "Al54 Fe12 Si24 O144"
_cell_length_a 9.27066262
_cell_length_b 27.81198786
_cell_length_c 11.42072986
_cell_angle_alpha 89.69804354
_cell_angle_... |
SuperCellAction | a0c632b7-0b5f-46c3-bea8-46fc96c7d05a | mp-1016342 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2
_chemical_formula_sum "Sr8 Mg48 Sb8"
_cell_length_a 10.38038
_cell_length_b 13.909202
_cell_length_c 11.657676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 78cd4d06-bb62-4e6c-ac5f-804c93206749 | mp-1213157 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8CsScW2O8CsScW2O8CsScW2O8CsScW2O8CsScW2O8
_chemical_formula_sum "Cs6 Sc6 W12 O48"
_cell_length_a 17.7817632
_cell_length_b 11.8545088
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.... |
SuperCellAction | 851bfc43-fa1d-40f6-9acf-1fe8255f9d39 | mp-1349418 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Mg4Mo12O28Mg4Mo12O28Mg4Mo12O28
_chemical_formula_sum "Mg16 Mo48 O112"
_cell_length_a 11.530224
_cell_length_b 19.905418
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 23109f5b-0333-4faa-9d37-51d32e3e718e | mp-19873 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_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 Dy4Si4Ru4Dy4Si4Ru4Dy4Si4Ru4Dy4Si4Ru4
_chemical_formula_sum "Dy16 Si16 Ru16"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 28.03918808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | abe9fb9b-e2a1-491b-ad3e-a52c547fa0b5 | mp-1352636 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36Y4Cr12O36Y4Cr12O36Y4Cr12O36Y4Cr12O36Y4Cr12O36
_chemical_formula_sum "Y24 Cr72 O216"
_cell_length_a 5.574485
_cell_length_b 24.149712420000004
_cell_length_c 32.11349116
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.0733363... |
SuperCellAction | 81d3ddb5-3eab-4e27-bdd9-28ce6ac9b510 | mp-1003545 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8MgMn4O8MgMn4O8MgMn4O8MgMn4O8MgMn4O8MgMn4O8MgMn4O8
_chemical_formula_sum "Mg8 Mn32 O64"
_cell_length_a 21.118672
_cell_length_b 11.63916284
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.561446... |
SuperCellAction | d34f1cf0-6ede-41a2-bce5-ace7b2afc1c4 | mp-1245618 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ge4Te2N4Ge4Te2N4Ge4Te2N4Ge4Te2N4Ge4Te2N4Ge4Te2N4
_chemical_formula_sum "Ge24 Te12 N24"
_cell_length_a 6.99902437
_cell_length_b 11.8049609
_cell_length_c 15.916050600000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 5a7e31a6-fef3-4aa1-bf69-b0895cb388d9 | mp-28092 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2B40H52O2
_chemical_formula_sum "B80 H104 O4"
_cell_length_a 13.41078563
_cell_length_b 26.82157126
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_g... |
SuperCellAction | c09e1a30-650b-48d6-9f8b-fcf9a7935b9b | mp-6858 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Rb2C2S2O6F6Rb2C2S2O6F6Rb2C2S2O6F6Rb2C2S2O6F6Rb2C2S2O6F6Rb2C2S2O6F6Rb2C2S2O6F6Rb2C2S2O6F6
_chemical_formula_sum "Rb16 C16 S16 O48 F48"
_cell_length_a 11.72048
_cell_length_b 10.571516
_cell_length_c 21.16478368
_cell_angle_alpha 76.40932463... |
SuperCellAction | 96901e2b-1131-4010-84bc-256f17f9070a | mp-561525 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K6Ga6B6O21K6Ga6B6O21K6Ga6B6O21
_chemical_formula_sum "K18 Ga18 B18 O63"
_cell_length_a 8.67961741
_cell_length_b 26.03885223
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
... |
SuperCellAction | 1c3732e0-12ac-4c1a-bf28-f8b4981da766 | mp-1028157 | Create a supercell with the size 1×2×4. | 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 Mg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCu
_chemical_formula_sum "Mg112 Mn8 Cu8"
_cell_length_a 6.25919308
_cell_length_b 12.51719376
_cell_length_c 39.67804972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | bb5b7b30-64ed-4e5a-9e94-4a16fee6df36 | mp-27209 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... | data_image0
_chemical_formula_structural K6Tl6F24K6Tl6F24
_chemical_formula_sum "K12 Tl12 F48"
_cell_length_a 16.14452518
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999... |
SuperCellAction | d3eb710b-1eb8-4465-9c72-23973ed13e89 | mp-24674 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20Be6P4H8O20
_chemical_formula_sum "Be12 P8 H16 O40"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 19.2926399
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.9125421200000... |
SuperCellAction | 02cd4c13-9b76-46f1-8d99-afcd1621c13e | mp-1216939 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti8Te8O24F16Ti8Te8O24F16Ti8Te8O24F16Ti8Te8O24F16
_chemical_formula_sum "Ti32 Te32 O96 F64"
_cell_length_a 30.090664
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 4c427c20-b9cb-4109-abb4-b1c766eecc9d | mp-1196290 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36Ge4P8O36Ge4P8O36Ge4P8O36Ge4P8O36Ge4P8O36
_chemical_formula_sum "Ge24 P48 O216"
_cell_length_a 14.629515
_cell_length_b 16.83515802
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 5c82d52f-eaa5-4c1a-9def-8342bb4adf04 | mp-1233619 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr6 Mg3 Zn6 Sn6 P12 O48"
_cell_length_a 5.56800446
_cell_length_b 23.264079299999995
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta ... |
SuperCellAction | d55052b1-6503-49ff-9fbc-69d1d3273155 | mp-1210057 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... | data_image0
_chemical_formula_structural P6Pb10Br2O24P6Pb10Br2O24P6Pb10Br2O24P6Pb10Br2O24
_chemical_formula_sum "P24 Pb40 Br8 O96"
_cell_length_a 20.4962073
_cell_length_b 20.496207299999995
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 533af737-7b4e-4e1c-96d9-1a030496d9cd | mp-1214717 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba24 Sr16 Re24 Cl8 O120"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 31.281384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 467d3ffc-b265-447e-b6d2-616fc9bdee53 | mp-18411 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12
_chemical_formula_sum "Na96 Ge32 Se96"
_cell_length_a 23.80071322
_cell_length_b 32.9504348
_cell_length_c 8.37020124
_cell_angle_alpha 60.72083367000... |
SuperCellAction | 5d97b35f-acb3-4d8c-b35f-f49ff4e7897d | mp-684504 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48
_chemical_formula_sum "Li72 Bi48 P72 O288"
_cell_length_a 18.466852
_cell_length_b 27.672549
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angl... |
SuperCellAction | 93bd55ad-18fd-4092-b04e-f363d9cb1988 | mp-989647 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12Y4Re4N12Y4Re4N12Y4Re4N12Y4Re4N12Y4Re4N12
_chemical_formula_sum "Y24 Re24 N72"
_cell_length_a 10.7658898
_cell_length_b 5.59557393
_cell_length_c 23.05653633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 5147a8bb-34c3-4dad-8e02-6559540e1e42 | mp-1219159 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... | data_image0
_chemical_formula_structural Sm6Ge3S14Sm6Ge3S14
_chemical_formula_sum "Sm12 Ge6 S28"
_cell_length_a 10.12390165
_cell_length_b 20.247782059999995
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.... |
SuperCellAction | 8059e417-f947-4615-a19d-5ef8772d4b72 | mp-542176 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... | data_image0
_chemical_formula_structural Cu4H32C16O20Cu4H32C16O20Cu4H32C16O20Cu4H32C16O20Cu4H32C16O20Cu4H32C16O20Cu4H32C16O20Cu4H32C16O20
_chemical_formula_sum "Cu32 H256 C128 O160"
_cell_length_a 15.95693592
_cell_length_b 15.95693592
_cell_length_c 27.88924838
_cell_angle_alpha ... |
SuperCellAction | 92b25469-20c0-4424-b644-cf42b28397a4 | mp-759549 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24Mn2P8O24Mn2P8O24Mn2P8O24
_chemical_formula_sum "Mn8 P32 O96"
_cell_length_a 8.773979
_cell_length_b 14.264594
_cell_length_c 16.90329282
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 9aab8d98-48b5-4332-996f-559349f17554 | mp-7596 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Nb4N4O4Nb4N4O4Nb4N4O4Nb4N4O4
_chemical_formula_sum "Nb16 N16 O16"
_cell_length_a 10.05074434
_cell_length_b 10.16825376
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 3a9d82e9-aece-475e-8e95-ca1ef60e07e8 | mp-1221993 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... | data_image0
_chemical_formula_structural Mg2Zr2Si4O14Mg2Zr2Si4O14Mg2Zr2Si4O14Mg2Zr2Si4O14Mg2Zr2Si4O14Mg2Zr2Si4O14Mg2Zr2Si4O14Mg2Zr2Si4O14
_chemical_formula_sum "Mg16 Zr16 Si32 O112"
_cell_length_a 26.50797748
_cell_length_b 13.25398874
_cell_length_c 6.62699437
_cell_angle_alpha ... |
SuperCellAction | 75c5231b-a671-4168-91c0-d9eceedcd7b8 | mp-26845 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24
_chemical_formula_sum "Li24 Mn16 P24 O96"
_cell_length_a 8.81995309
_cell_length_b 17.63990618
_cell_length_c 23.031391760000005
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620... |
SuperCellAction | 1f16517b-6d1d-4eb3-8f9e-60d0148d8945 | mp-1208346 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16Tb4Fe4B16Tb4Fe4B16Tb4Fe4B16Tb4Fe4B16Tb4Fe4B16
_chemical_formula_sum "Tb24 Fe24 B96"
_cell_length_a 10.286310630000001
_cell_length_b 5.90351878
_cell_length_c 22.8670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 8b7ba587-de9f-42ee-b107-f63de5f2892b | mp-800259 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8Li5Cr3FeO8Li5Cr3FeO8Li5Cr3FeO8Li5Cr3FeO8Li5Cr3FeO8Li5Cr3FeO8Li5Cr3FeO8
_chemical_formula_sum "Li40 Cr24 Fe8 O64"
_cell_length_a 5.994255
_cell_length_b 11.9945052
_cell_length_c 24.20207876
_cell_angle_alpha 119.50204335000001
_c... |
SuperCellAction | 888d2145-d988-4bc6-b286-5b0ecfb5ce1c | mp-1211033 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3
_chemical_formula_sum "Lu36 In6 Fe9"
_cell_length_a 8.15749244
_cell_length_b 24.472463910000002
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma ... |
SuperCellAction | a5c6021d-cbed-40db-986a-106d8f7fab5d | mp-704406 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U9Mo18O72U9Mo18O72U9Mo18O72U9Mo18O72U9Mo18O72U9Mo18O72U9Mo18O72U9Mo18O72
_chemical_formula_sum "U72 Mo144 O576"
_cell_length_a 70.95904956
_cell_length_b 17.73976239
_cell_length_c 12.438
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 69821ca6-6417-4092-b412-d37ea9ffbec7 | mp-1045114 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16Al2V6Se4Cl2O16
_chemical_formula_sum "Al4 V12 Se8 Cl4 O32"
_cell_length_a 13.2999
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.332... |
SuperCellAction | fde4d36f-247a-42e3-8fd4-0d361b8354e0 | mp-1111627 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6K2NaPdF6K2NaPdF6K2NaPdF6
_chemical_formula_sum "K8 Na4 Pd4 F24"
_cell_length_a 24.34124584
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle... |
SuperCellAction | 7d691508-737a-4f22-9864-b76713bd2cd7 | mp-1195295 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Fe20O28Ca4Fe20O28
_chemical_formula_sum "Ca8 Fe40 O56"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 36.047882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-... |
SuperCellAction | e2539e8d-4e94-4b79-b2e5-0480542e45e2 | mp-1196284 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10U6Al38Ni10U6Al38Ni10
_chemical_formula_sum "U18 Al114 Ni30"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 80.58596700000001
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
... |
SuperCellAction | c0250c3c-17da-46dc-98cc-79e608c888e4 | mp-28263 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8K4H12O8K4H12O8K4H12O8K4H12O8K4H12O8
_chemical_formula_sum "K24 H72 O48"
_cell_length_a 11.38368014
_cell_length_b 5.7809945
_cell_length_c 23.62593042
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 9ccccc80-8294-4f5b-845d-bb7357ab197e | mp-1224446 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8
_chemical_formula_sum "Hf18 Ta6 Fe48"
_cell_length_a 9.88703348
_cell_length_b 4.94351723
_cell_length_c 24.18770985
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angl... |
SuperCellAction | e6935d4d-68ba-478c-80e6-6af9c9f7d21e | mp-766284 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48Sr16Ru12O48
_chemical_formula_sum "Sr32 Ru24 O96"
_cell_length_a 5.576479
_cell_length_b 19.587008
_cell_length_c 18.332635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 0fa0840a-9705-43c9-a97c-024e6ce435e6 | mp-1205906 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12
_chemical_formula_sum "K16 Mn16 I16 O96"
_cell_length_a 20.51218364
_cell_length_b 10.25609182
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 03faeaca-01da-47ae-ad37-35fe068981e5 | mp-1043615 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O28Mn6Zn2P8O28Mn6Zn2P8O28Mn6Zn2P8O28Mn6Zn2P8O28Mn6Zn2P8O28Mn6Zn2P8O28Mn6Zn2P8O28
_chemical_formula_sum "Mn48 Zn16 P64 O224"
_cell_length_a 7.541915
_cell_length_b 15.059158
_cell_length_c 39.60872908000001
_cell_angle_alpha 66.5660... |
SuperCellAction | f5fa4a2a-dfc0-4d1b-b43b-39df8e806694 | mp-1233729 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... | data_image0
_chemical_formula_structural MgZn4Co6O16MgZn4Co6O16MgZn4Co6O16MgZn4Co6O16MgZn4Co6O16MgZn4Co6O16MgZn4Co6O16MgZn4Co6O16
_chemical_formula_sum "Mg8 Zn32 Co48 O128"
_cell_length_a 11.55260766
_cell_length_b 11.78303296
_cell_length_c 19.96481718
_cell_angle_alpha 87.77596... |
SuperCellAction | 0ec89e53-168e-47d3-92ab-54d9d2116e6f | mp-26956 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P16O48V4P16O48V4P16O48V4P16O48V4P16O48V4P16O48
_chemical_formula_sum "V24 P96 O288"
_cell_length_a 16.821164
_cell_length_b 27.584063999999998
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 5cb05448-ed3a-46ea-8ddf-87be97ba5893 | mp-627591 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16
_chemical_formula_sum "Fe64 Si32 S128"
_cell_length_a 23.232628
_cell_length_b 7.026927
_cell_length_c 24.333054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 4004bb97-e6b3-4c13-bc83-b733ee6b78de | mp-1190970 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14Dy6Re2B14Dy6Re2B14Dy6Re2B14Dy6Re2B14Dy6Re2B14
_chemical_formula_sum "Dy36 Re12 B84"
_cell_length_a 24.29377815
_cell_length_b 8.09792605
_cell_length_c 18.72729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 15d0754e-0f51-4259-9c56-a329b7b57fb7 | mp-2196 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12Ba6Sb12Ba6Sb12Ba6Sb12
_chemical_formula_sum "Ba24 Sb48"
_cell_length_a 8.857325
_cell_length_b 23.84313422
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | ae791a96-50a4-47f8-ab33-a10aa336ac00 | mp-1247503 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Mn4Cu2N4Mn4Cu2N4Mn4Cu2N4
_chemical_formula_sum "Mn12 Cu6 N12"
_cell_length_a 2.852414
_cell_length_b 8.551638
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 36473000-b625-474a-9b44-438e1cd89646 | mp-759335 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58
_chemical_formula_sum "Li40 V24 P64 O232"
_cell_length_a 19.581484
_cell_length_b 9.80038608
_cell_length_c 28.20743414
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_a... |
SuperCellAction | 3a9c632c-7233-44d5-a2f3-69dc9494d2ff | mp-1207697 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6Zr3CuF6
_chemical_formula_sum "Zr6 Cu2 F12"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 29.98271956
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_grou... |
SuperCellAction | 6608fe02-b853-4aa1-b5e5-9ee6d64b8f5d | mp-754739 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8
_chemical_formula_sum "Ca16 Be48 O64"
_cell_length_a 9.15312234
_cell_length_b 9.15312234
_cell_length_c 17.573772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 360f3cd1-8dbf-4df5-a8c0-47d83918a026 | mp-13413 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_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 Th4Cu20Sn4Th4Cu20Sn4Th4Cu20Sn4Th4Cu20Sn4Th4Cu20Sn4Th4Cu20Sn4Th4Cu20Sn4Th4Cu20Sn4
_chemical_formula_sum "Th32 Cu160 Sn32"
_cell_length_a 20.21627104
_cell_length_b 8.30553472
_cell_length_c 21.13038886
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 7450f7f5-81ed-4949-8117-e9bd913f74cc | mp-1099629 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Na6V5Mo3O24K2Na6V5Mo3O24K2Na6V5Mo3O24K2Na6V5Mo3O24K2Na6V5Mo3O24K2Na6V5Mo3O24
_chemical_formula_sum "K12 Na36 V30 Mo18 O144"
_cell_length_a 7.746854
_cell_length_b 15.49292
_cell_length_c 23.248687859999997
_cell_angle_alpha 89.96294417
_... |
SuperCellAction | 340c74a9-6e2c-45db-aadd-cce8bc0a1a7c | mp-1214497 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2Ba10P6O24F2Ba10P6O24F2Ba10P6O24F2
_chemical_formula_sum "Ba40 P24 O96 F8"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 31.170576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9... |
SuperCellAction | 6094927a-7e85-40b6-895b-68b3afa1bad1 | mp-560602 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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_nu... | data_image0
_chemical_formula_structural O144
_chemical_formula_sum "O144"
_cell_length_a 19.95779346
_cell_length_b 6.76810209
_cell_length_c 14.90087382
_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_I... |
SuperCellAction | be07e363-b4c9-43b0-a0ce-4135f7c0e301 | mp-1103985 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6
_chemical_formula_sum "Nd72 Pt48"
_cell_length_a 7.70172695
_cell_length_b 30.807660120000005
_cell_length_c 15.403693360000002
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960... |
SuperCellAction | fb8fa287-c83d-40a8-8c56-97d718579135 | mp-1215754 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6
_chemical_formula_sum "Zr32 Ti48 Si48"
_cell_length_a 21.86758
_cell_length_b 7.71310896
_cell_length_c 15.431476460000003
_cell_angle_alpha 119.98872028999999
_cell_... |
SuperCellAction | 02dbceab-638c-483a-9e8c-941081165dd5 | mp-1096432 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48Ce24Se48Ce24Se48Ce24Se48Ce24Se48Ce24Se48Ce24Se48Ce24Se48
_chemical_formula_sum "Ce192 Se384"
_cell_length_a 16.69883571
_cell_length_b 66.79534284
_cell_length_c 33.39767142
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.4... |
SuperCellAction | 7dd35571-5943-49a3-aae8-4dfa3e2e7e29 | mp-1098369 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32Mg30TiCrO32Mg30TiCrO32Mg30TiCrO32
_chemical_formula_sum "Mg120 Ti4 Cr4 O128"
_cell_length_a 17.192608
_cell_length_b 17.029666
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 8f257163-99d7-4ddc-b703-63e33ea5aab0 | mp-2229629 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8Na2MgNb2Cu4S8Na2MgNb2Cu4S8Na2MgNb2Cu4S8
_chemical_formula_sum "Na8 Mg4 Nb8 Cu16 S32"
_cell_length_a 11.37803718
_cell_length_b 15.43537308
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.963248... |
SuperCellAction | 32e68ed9-6b67-416a-8c05-fe6016cfb60d | mp-652326 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... | data_image0
_chemical_formula_structural Fe6C18S4O18Fe6C18S4O18
_chemical_formula_sum "Fe12 C36 S8 O36"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 26.3624513
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.177479... |
SuperCellAction | a1da3765-9a90-4c72-9876-96d810909b2b | mp-1520090 | Create a supercell with the size 1×4×2. | 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 5.25865836
_cell_length_b 21.03463344
_cell_length_c 15.48015858
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | 510632a6-4ebb-4a69-a353-ee6a034b4fb3 | mp-760196 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cr8O8F32Cr8O8F32Cr8O8F32
_chemical_formula_sum "Cr24 O24 F96"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 24.189158159999998
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 4d464c73-bfc9-4ff1-b8fc-cc19dc07c805 | mp-768946 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16
_chemical_formula_sum "Li48 Cr36 Co12 O96"
_cell_length_a 15.252675149999998
_cell_length_b 10.24775626
_cell_length_c 11.74476628
_cell_angle_alpha 73.37294484
_cell... |
SuperCellAction | 64ceeb84-f62a-4b1a-bd1c-7b97103deec5 | mp-558325 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K2YNb5O15K2YNb5O15K2YNb5O15K2YNb5O15
_chemical_formula_sum "K8 Y4 Nb20 O60"
_cell_length_a 18.70371318
_cell_length_b 18.703713180000005
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.8870... |
SuperCellAction | c8a7770a-d8ab-4120-9921-744107021f4a | mp-1029063 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4
_chemical_formula_sum "Te16 Mo16 W16 Se16 S32"
_cell_length_a 3.30870784
_cell_length_b 13.234831360000001
_cell_length_c 75.290826
_cell... |
SuperCellAction | 68822db7-be24-4777-af54-941243a5c9ba | mp-22850 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12
_chemical_formula_sum "Ru16 Cl48"
_cell_length_a 11.35230022
_cell_length_b 12.47326256
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma ... |
SuperCellAction | 98d6cdf0-21dc-4f3f-9a57-9a21baec6f5f | mp-674343 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20
_chemical_formula_sum "Ti30 Cu21 S60"
_cell_length_a 19.99656315
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_an... |
SuperCellAction | 764a3adc-5f9e-4435-9088-c91db2e8d388 | mp-1112428 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6K2EuAuCl6
_chemical_formula_sum "K4 Eu2 Au2 Cl12"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 15.263062419999999
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.999... |
SuperCellAction | b645442a-2df7-47d4-8b42-a11dabaa66b0 | mp-752482 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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_I... | data_image0
_chemical_formula_structural Li2V6F20Li2V6F20Li2V6F20Li2V6F20Li2V6F20Li2V6F20
_chemical_formula_sum "Li12 V36 F120"
_cell_length_a 13.128322
_cell_length_b 7.45816
_cell_length_c 23.65095
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | d81a1e5e-fc11-478f-afd7-2749655910f6 | mp-1227253 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24
_chemical_formula_sum "Ca8 U24 Ti64 O192"
_cell_length_a 30.01896
_cell_length_b 7.85782394
_cell_length_c 16.91500614
_cell_angle_alpha 98.93237861
_cell_ang... |
SuperCellAction | f12c1779-006e-4068-8b91-75e5741e7692 | mp-1523147 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6SrNdMgWO6SrNdMgWO6SrNdMgWO6SrNdMgWO6SrNdMgWO6SrNdMgWO6SrNdMgWO6
_chemical_formula_sum "Sr8 Nd8 Mg8 W8 O48"
_cell_length_a 5.64963695
_cell_length_b 22.5985478
_cell_length_c 11.2992739
_cell_angle_alpha 59.99999999999999
_cell_ang... |
SuperCellAction | fe0b1ecb-0435-4f45-927c-a7daec806e60 | mp-755164 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn6O11FMn6O11FMn6O11F
_chemical_formula_sum "Mn18 O33 F3"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 26.923755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M... |
SuperCellAction | 7c1853f5-cc3b-416f-ba7e-d9c8b3fb2dd8 | mp-754147 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... | data_image0
_chemical_formula_structural Li4Ti2Co4O10Li4Ti2Co4O10Li4Ti2Co4O10Li4Ti2Co4O10Li4Ti2Co4O10Li4Ti2Co4O10
_chemical_formula_sum "Li24 Ti12 Co24 O60"
_cell_length_a 10.468748
_cell_length_b 15.770607690000004
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_c... |
SuperCellAction | 2f5b49a8-8155-4d6a-8734-a7cd0726e0e4 | mp-1324601 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48Zn12Si12Ag8O48Zn12Si12Ag8O48Zn12Si12Ag8O48
_chemical_formula_sum "Zn48 Si48 Ag32 O192"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 41.7537798
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47... |
SuperCellAction | 61a1ef9c-22a1-4e69-941f-609a5d71a082 | mp-1174913 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... | data_image0
_chemical_formula_structural Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12
_chemical_formula_sum "Li56 Mn16 Co24 O96"
_cell_length_a 12.011524
_cell_length_b 5.00158641
_cell_length_c 28.99813156
_cell_angle_alpha 87.... |
SuperCellAction | 59763dad-42f3-423d-9c74-f6a0aae08bff | mp-18753 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3Na3MoO3F3
_chemical_formula_sum "Na6 Mo2 O6 F6"
_cell_length_a 5.80614613
_cell_length_b 11.6122919
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.29251... |
SuperCellAction | e1f088f4-27ee-47c4-b570-d9acd050a1cb | mp-2217709 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6
_chemical_formula_sum "Mg6 Ti6 Zn6 Bi12 O36"
_cell_length_a 11.16135832
_cell_length_b 5.58067916
_cell_length_c 20.18554065
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 6af41741-2805-437b-93e9-14533b37ea7b | mp-1233110 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... | data_image0
_chemical_formula_structural MgMn9CdO10MgMn9CdO10MgMn9CdO10MgMn9CdO10MgMn9CdO10MgMn9CdO10MgMn9CdO10MgMn9CdO10
_chemical_formula_sum "Mg8 Mn72 Cd8 O80"
_cell_length_a 23.23492172
_cell_length_b 17.937515240000003
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53... |
SuperCellAction | c4b23841-63a2-4772-88ed-99721a3d6ffe | mp-757037 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... | data_image0
_chemical_formula_structural Li2Fe2Si6O16Li2Fe2Si6O16Li2Fe2Si6O16Li2Fe2Si6O16
_chemical_formula_sum "Li8 Fe8 Si24 O64"
_cell_length_a 7.69853798
_cell_length_b 30.7997396
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_... |
SuperCellAction | 4e1d1184-70f8-4015-bd79-a6682afee091 | mp-768442 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20Li4Mn4B8O20Li4Mn4B8O20Li4Mn4B8O20
_chemical_formula_sum "Li16 Mn16 B32 O80"
_cell_length_a 9.305121
_cell_length_b 24.212172
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 2d6ca2fc-ba65-4915-9e5d-5f1f54dbd2ac | mp-1310084 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6Co4O2F6Co4O2F6Co4O2F6
_chemical_formula_sum "Co16 O8 F24"
_cell_length_a 9.42528262
_cell_length_b 4.71287246
_cell_length_c 12.40717778
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22... |
SuperCellAction | a5e6965b-7775-467e-aa08-d8919c09cf2e | mp-1208575 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... | data_image0
_chemical_formula_structural Tb2Cl6O24Tb2Cl6O24Tb2Cl6O24Tb2Cl6O24
_chemical_formula_sum "Tb8 Cl24 O96"
_cell_length_a 18.81684854
_cell_length_b 9.40841325
_cell_length_c 11.1568764
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma... |
SuperCellAction | 8188b77e-1d13-41bd-aec7-010a7e3d24cc | mp-554501 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30Ba10Os6Cl2O30
_chemical_formula_sum "Ba20 Os12 Cl4 O60"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 15.94967
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_g... |
SuperCellAction | 32343d65-9088-4048-bf83-107d07ced880 | mp-647450 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4Na4Ca8Ti4Si8O32F4Na4Ca8Ti4Si8O32F4Na4Ca8Ti4Si8O32F4Na4Ca8Ti4Si8O32F4Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na24 Ca48 Ti24 Si48 O192 F24"
_cell_length_a 17.412882
_cell_length_b 15.21429182
_cell_length_c 19.27502629
_cell_a... |
SuperCellAction | fe71bad3-9f3a-4423-8379-9d56d2f6c6a1 | mp-1078304 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... | data_image0
_chemical_formula_structural Ca4Al2Pd4Ca4Al2Pd4Ca4Al2Pd4Ca4Al2Pd4Ca4Al2Pd4Ca4Al2Pd4Ca4Al2Pd4Ca4Al2Pd4
_chemical_formula_sum "Ca32 Al16 Pd32"
_cell_length_a 23.0210896
_cell_length_b 11.5105448
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_... |
SuperCellAction | faa53eab-c2a6-4ae3-9199-146f148c40c1 | mp-1101787 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10La2Si10La2Si10La2Si10La2Si10La2Si10La2Si10La2Si10
_chemical_formula_sum "La16 Si80"
_cell_length_a 15.605711
_cell_length_b 31.211422
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401... |
SuperCellAction | 30999f8e-5116-40c8-bdca-488027cf386b | mp-1220847 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Na6Sm4Ge4Se17
_chemical_formula_sum "Na6 Sm4 Ge4 Se17"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954000001
_... | data_image0
_chemical_formula_structural Na6Sm4Ge4Se17Na6Sm4Ge4Se17Na6Sm4Ge4Se17Na6Sm4Ge4Se17Na6Sm4Ge4Se17Na6Sm4Ge4Se17
_chemical_formula_sum "Na36 Sm24 Ge24 Se102"
_cell_length_a 38.43741162
_cell_length_b 12.81247054
_cell_length_c 13.98337922
_cell_angle_alpha 78.20347702
_cel... |
SuperCellAction | c1f3c095-7abd-42ec-8912-c7712e466245 | mp-1214585 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6
_chemical_formula_sum "Ba12 Pr6 Cu18 O36"
_cell_length_a 7.855786
_cell_length_b 3.927893
_cell_length_c 36.71736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 0d8a9812-9617-456c-88c4-3fbe83625f95 | mp-756100 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F8Li2Fe2F8Li2Fe2F8Li2Fe2F8
_chemical_formula_sum "Li8 Fe8 F32"
_cell_length_a 24.2087418
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma... |
SuperCellAction | 31950815-0129-4579-a071-5d682768dd4d | mp-22420 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Cu4Te4O16
_chemical_formula_sum "Cu4 Te4 O16"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Cu4Te4O16Cu4Te4O16Cu4Te4O16Cu4Te4O16Cu4Te4O16Cu4Te4O16
_chemical_formula_sum "Cu24 Te24 O96"
_cell_length_a 4.70645473
_cell_length_b 11.03141056
_cell_length_c 30.993389880000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 53aeed70-5efa-4192-b584-9b65abd240c8 | mp-1445089 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Mo4O12
_chemical_formula_sum "Mo4 O12"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo4O12Mo4O12
_chemical_formula_sum "Mo8 O24"
_cell_length_a 5.400018
_cell_length_b 10.88068048
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M... |
SuperCellAction | 1ffe71ac-5967-43a9-b4e9-b9baa1ef97ea | mp-1037834 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural CaMg30SnO32
_chemical_formula_sum "Ca1 Mg30 Sn1 O32"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_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 CaMg30SnO32CaMg30SnO32CaMg30SnO32CaMg30SnO32CaMg30SnO32CaMg30SnO32
_chemical_formula_sum "Ca6 Mg180 Sn6 O192"
_cell_length_a 17.275304
_cell_length_b 8.637652
_cell_length_c 25.899057000000003
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
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