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 | ac21e00a-e92c-4a50-bca8-0ab68bfc5de6 | mp-1193190 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18K4Cr6O18K4Cr6O18K4Cr6O18
_chemical_formula_sum "K16 Cr24 O72"
_cell_length_a 24.013804
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | d4db35c2-cc5b-481b-91c6-eca7a473a1b7 | mp-1037796 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 CaMg30TiO32CaMg30TiO32CaMg30TiO32CaMg30TiO32CaMg30TiO32CaMg30TiO32CaMg30TiO32CaMg30TiO32
_chemical_formula_sum "Ca8 Mg240 Ti8 O256"
_cell_length_a 17.166366
_cell_length_b 34.332732
_cell_length_c 8.578049
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 2c24ff7c-ff16-41fc-a48a-a33254048baf | mp-1213522 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68Cs4Rb4Mo12P12O68Cs4Rb4Mo12P12O68Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs16 Rb16 Mo48 P48 O272"
_cell_length_a 19.42317
_cell_length_b 21.997856
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta ... |
SuperCellAction | 08c361a9-b8d8-4a81-ad69-a1ab95e9e615 | mp-25954 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24Co6P6O24Co6P6O24
_chemical_formula_sum "Co18 P18 O72"
_cell_length_a 7.44144799
_cell_length_b 22.32434397
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_nam... |
SuperCellAction | 796c1f10-2bb8-40e7-8821-43e6f70de352 | mp-15203 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6
_chemical_formula_sum "Li96 Ca192 W64 N256 O48"
_cell_length_a 11.40762068
_cell_length_b 45.63048156000001
_cell_length_c ... |
SuperCellAction | 51eef2f0-754e-4e95-a763-eac0e2e7ef2d | mp-1238897 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Ti4Cr4Ag4S16Ti4Cr4Ag4S16
_chemical_formula_sum "Ti12 Cr12 Ag12 S48"
_cell_length_a 6.475615
_cell_length_b 23.073278849999998
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle... |
SuperCellAction | 542380d6-e692-406d-8d46-420b5cfdcae3 | mp-1182197 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12Nd4Mn4O12Nd4Mn4O12Nd4Mn4O12Nd4Mn4O12Nd4Mn4O12
_chemical_formula_sum "Nd24 Mn24 O72"
_cell_length_a 43.178829
_cell_length_b 28.156454
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | e919baab-2f24-4f4c-8e63-ae899db5cf42 | mp-2240397 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6
_chemical_formula_sum "Mg4 Cd8 Bi8 O24"
_cell_length_a 11.12917902
_cell_length_b 7.0200275
_cell_length_c 11.542151099999998
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_c... |
SuperCellAction | d3d2402a-0b11-4363-940b-d81b3000766d | mp-38090 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24Fe12Cu6O24Fe12Cu6O24Fe12Cu6O24
_chemical_formula_sum "Fe48 Cu24 O96"
_cell_length_a 6.05186412
_cell_length_b 12.10372824
_cell_length_c 29.418774980000002
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angl... |
SuperCellAction | 95648fa8-068d-4754-9e40-76ed5581eee4 | mp-758717 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24
_chemical_formula_sum "Li8 Co16 C32 O96"
_cell_length_a 9.550868
_cell_length_b 14.911678
_cell_length_c 16.86672986
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 8b68919b-d27f-40c6-a75d-76ceb727ffb1 | mp-1227255 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... | data_image0
_chemical_formula_structural CaCeV2O8CaCeV2O8CaCeV2O8CaCeV2O8
_chemical_formula_sum "Ca4 Ce4 V8 O32"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 24.31766868
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 11... |
SuperCellAction | b596baaa-e8a2-4dc0-8ca4-8de4aa68b8da | mp-8597 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_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... | data_image0
_chemical_formula_structural Sc8B16C8Sc8B16C8Sc8B16C8Sc8B16C8Sc8B16C8Sc8B16C8
_chemical_formula_sum "Sc48 B96 C48"
_cell_length_a 13.29111
_cell_length_b 19.936664999999998
_cell_length_c 6.792191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 9fafdeae-e6a3-4a2c-8a79-46bcf79334ae | mp-975336 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4
_chemical_formula_sum "K32 C32 S32 N32"
_cell_length_a 6.479805
_cell_length_b 26.062324
_cell_length_c 22.278032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 887df004-f743-45ca-8934-d87db02e4716 | mp-1200515 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16
_chemical_formula_sum "Tb160 Si128"
_cell_length_a 14.97798018
_cell_length_b 30.83365616
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta ... |
SuperCellAction | e0fecfae-2f7e-4699-a1fe-3488f5330e41 | mp-25278 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V4S6O24V4S6O24V4S6O24V4S6O24
_chemical_formula_sum "V16 S24 O96"
_cell_length_a 7.71633737
_cell_length_b 15.43267474
_cell_length_c 17.33815688
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.8398192... |
SuperCellAction | d563332f-4436-413f-a3d7-28ec653ff5c5 | mp-1193266 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4
_chemical_formula_sum "Al12 H96 C36 N12 Cl24"
_cell_length_a 23.179915740000002
_cell_length_b 16.28014854
_cell_length_c 8.848356060000002
_cell_angle_alpha 90... |
SuperCellAction | 51c91838-35ae-4f04-ae6d-c05e37ad2ccd | mp-755587 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V4O6F2V4O6F2V4O6F2V4O6F2V4O6F2V4O6F2
_chemical_formula_sum "V24 O36 F12"
_cell_length_a 9.25358016
_cell_length_b 13.880370240000001
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma... |
SuperCellAction | 4a3c3487-8bfd-4098-ad2c-43b4dec7a595 | mp-1103272 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 Zr4Si4Ni4Zr4Si4Ni4
_chemical_formula_sum "Zr8 Si8 Ni8"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 14.50697422
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 9ae7022f-6765-404a-bf4d-308c65723104 | mp-563041 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... | data_image0
_chemical_formula_structural K2V6Cu10O26K2V6Cu10O26K2V6Cu10O26
_chemical_formula_sum "K6 V18 Cu30 O78"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 32.706735689999995
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma ... |
SuperCellAction | 564c61f9-c2cb-4f05-8645-51f32c3ec839 | mp-866709 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K4Cr2H4F16K4Cr2H4F16K4Cr2H4F16K4Cr2H4F16K4Cr2H4F16K4Cr2H4F16
_chemical_formula_sum "K24 Cr12 H24 F96"
_cell_length_a 16.202328
_cell_length_b 5.348595
_cell_length_c 25.279710809999997
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.... |
SuperCellAction | c7a9a26b-3921-4b13-8586-c763db7f45ca | mp-756511 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 Li4V4B4O16Li4V4B4O16Li4V4B4O16Li4V4B4O16Li4V4B4O16Li4V4B4O16Li4V4B4O16Li4V4B4O16
_chemical_formula_sum "Li32 V32 B32 O128"
_cell_length_a 6.227906
_cell_length_b 18.175834
_cell_length_c 18.830088
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 2309faa5-795f-4edb-b6d8-a5d39a094c7f | mp-1195233 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20Al2Zn2B10H40C10N10O20Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al6 Zn6 B30 H120 C30 N30 O60"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 41.91954999
_cell_angle_alpha 77.59534267
_cell_angle_beta... |
SuperCellAction | d76d2e1b-38c9-40e0-9456-cba8e900f62d | mp-3855 | Create a supercell with the size 3×1×2. | 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 Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16
_chemical_formula_sum "Na48 Be24 F96"
_cell_length_a 23.74204068
_cell_length_b 5.50453165
_cell_length_c 17.46178296
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | b3134bd2-c617-49b3-b6a1-ca27d899040c | mp-771123 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18Sc6Fe6O18Sc6Fe6O18Sc6Fe6O18
_chemical_formula_sum "Sc24 Fe24 O72"
_cell_length_a 11.69435928
_cell_length_b 5.84717964
_cell_length_c 23.162972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999995880000... |
SuperCellAction | 57a0b821-7e44-4a14-a6f5-c9866cfff93d | mp-673347 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12Nb4H4O12Nb4H4O12Nb4H4O12Nb4H4O12Nb4H4O12
_chemical_formula_sum "Nb24 H24 O72"
_cell_length_a 13.490164
_cell_length_b 6.77872734
_cell_length_c 20.34110268
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angl... |
SuperCellAction | cea57489-f8de-46da-ab42-996e594ae291 | mp-1214900 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40
_chemical_formula_sum "B32 C384 Cl32 F320"
_cell_length_a 12.992224
_cell_length_b 14.75944
_cell_length_c 67.92736379999998
_cell_angle_alpha 57.4597... |
SuperCellAction | ebed5062-acc9-4d45-97be-bca318b4e539 | mp-1247313 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12
_chemical_formula_sum "Zn48 Ag12 N36"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 33.903729420000005
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma ... |
SuperCellAction | 75f3d156-9c4c-4366-9d79-339e5c0628af | mp-584637 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... | data_image0
_chemical_formula_structural Cr2P6O18Cr2P6O18Cr2P6O18Cr2P6O18Cr2P6O18Cr2P6O18
_chemical_formula_sum "Cr12 P36 O108"
_cell_length_a 6.61072228
_cell_length_b 19.832071620000004
_cell_length_c 19.344227779999997
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.1621... |
SuperCellAction | 47c5badb-87f0-46b8-b63b-aa58a9deb183 | mp-1224658 | Create a supercell with the size 3 by 1 by 1. | 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 Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2
_chemical_formula_sum "Ho12 Fe102 C6"
_cell_length_a 24.749595
_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_... |
SuperCellAction | dd608865-638b-462c-b884-b41b2c17d70a | mp-1102237 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Lu2Ga8FeLu2Ga8FeLu2Ga8FeLu2Ga8FeLu2Ga8FeLu2Ga8FeLu2Ga8FeLu2Ga8Fe
_chemical_formula_sum "Lu16 Ga64 Fe8"
_cell_length_a 8.493534
_cell_length_b 16.987068
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 41221cc6-03ee-46e4-ab38-2363a5f60b7b | mp-769018 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48
_chemical_formula_sum "Li16 Fe32 S48 O192"
_cell_length_a 17.63486
_cell_length_b 8.529569
_cell_length_c 29.38323118
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 7bd0e45b-8248-485f-995d-cbe556000c6a | mp-1193362 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_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 Ce12Se12N4Ce12Se12N4Ce12Se12N4Ce12Se12N4Ce12Se12N4Ce12Se12N4Ce12Se12N4Ce12Se12N4
_chemical_formula_sum "Ce96 Se96 N32"
_cell_length_a 16.73172608
_cell_length_b 12.8179042
_cell_length_c 26.92317616
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | e4a6eb27-5064-4cb1-94ed-c3bb612ff649 | mp-1227612 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42La18In10Se42
_chemical_formula_sum "La36 In20 Se84"
_cell_length_a 12.60651707
_cell_length_b 25.213034140000005
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0... |
SuperCellAction | 0890be82-91f4-4df6-b4ce-f42f2bbba18c | mp-757196 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14Hg4W4O14Hg4W4O14Hg4W4O14
_chemical_formula_sum "Hg16 W16 O56"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 36.3760168
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 9... |
SuperCellAction | b2e94bde-a5c1-42f9-82e4-224de76aa9a5 | mp-1191504 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16Fe2S4N2O16
_chemical_formula_sum "Fe4 S8 N4 O32"
_cell_length_a 4.89555972
_cell_length_b 9.79111944
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-... |
SuperCellAction | 21ea65cc-9d68-4618-a4e3-11965165d4da | mp-771953 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16
_chemical_formula_sum "Li32 Nb16 Ni48 O128"
_cell_length_a 5.87620765
_cell_length_b 11.7524153
_cell_length_c 38.545556
_cell_angle_alpha 90.... |
SuperCellAction | 7f2663ba-c284-4714-8f55-a58259b5685c | mp-603241 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40
_chemical_formula_sum "Ba16 Fe16 Si64 O160"
_cell_length_a 21.77577194
_cell_length_b 10.88786546
_cell_length_c 22.2743046
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.2619049... |
SuperCellAction | 7b1e56e2-d753-45f7-a712-8d4215338491 | mp-755663 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14
_chemical_formula_sum "Ta24 Pb24 O84"
_cell_length_a 27.26900808
_cell_length_b 40.903512119999995
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | e50c35da-7dbe-457b-ae67-f06cf29068d5 | mp-1644899 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24
_chemical_formula_sum "Li36 V24 C48 O144"
_cell_length_a 22.98112416
_cell_length_b 7.65804484
_cell_length_c 17.86091812
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.3... |
SuperCellAction | 642375c2-7fcd-4642-bb6a-fe2745b23c58 | mp-731799 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36
_chemical_formula_sum "Mg72 C36 Cl36 O216"
_cell_length_a 7.518464
_cell_length_b 40.10232261
_cell_length_c 26.88451316
_cell_angle_alpha 116.23411858999998
_cell_an... |
SuperCellAction | 5f3bb7dc-6f60-4214-be34-b66119d95f07 | mp-1233509 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12CaSm4Tm4O12CaSm4Tm4O12
_chemical_formula_sum "Ca3 Sm12 Tm12 O36"
_cell_length_a 18.471575910000002
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma... |
SuperCellAction | 857d0e53-1d6f-4f1f-97ed-be79290757ff | mp-2230445 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... | data_image0
_chemical_formula_structural MgMn6O7F5MgMn6O7F5
_chemical_formula_sum "Mg2 Mn12 O14 F10"
_cell_length_a 5.1158998
_cell_length_b 15.212155479999998
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.0516857... |
SuperCellAction | 2d096d65-6851-4326-853f-99d83a9ebe43 | mp-1033378 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8Mg6CrBiO8Mg6CrBiO8
_chemical_formula_sum "Mg18 Cr3 Bi3 O24"
_cell_length_a 27.444096539999997
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | a9c97b7d-6a06-4314-84b4-ecbfa61eda61 | mp-555231 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... | data_image0
_chemical_formula_structural Ba6Bi4P8O32Ba6Bi4P8O32
_chemical_formula_sum "Ba12 Bi8 P16 O64"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 17.718218920000005
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.... |
SuperCellAction | a480e020-d7f9-4bb9-a560-9523fe4e7ee8 | mp-1175381 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16Li9Co7O16Li9Co7O16Li9Co7O16Li9Co7O16Li9Co7O16Li9Co7O16Li9Co7O16
_chemical_formula_sum "Li72 Co56 O128"
_cell_length_a 19.42392668
_cell_length_b 5.654774270000001
_cell_length_c 19.47859552
_cell_angle_alpha 89.33676523
_cell_angl... |
SuperCellAction | 9193c609-48d0-45fa-9dd9-031cc2e7ba7d | mp-1523289 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12BaCaSn4O12BaCaSn4O12
_chemical_formula_sum "Ba3 Ca3 Sn12 O36"
_cell_length_a 17.425261560000003
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9... |
SuperCellAction | 454c01a5-3fd7-4bf7-8cb6-1709c369edd3 | mp-607917 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12La21Fe8Sn7C12La21Fe8Sn7C12
_chemical_formula_sum "La63 Fe24 Sn21 C36"
_cell_length_a 34.9306875
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999... |
SuperCellAction | fb659bae-9588-4c30-b7e0-265f4b15bfba | mp-759596 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Li4Bi4P8O28Li4Bi4P8O28
_chemical_formula_sum "Li8 Bi8 P16 O56"
_cell_length_a 5.614483
_cell_length_b 17.818832
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | d137bfb6-a630-49bd-9ff6-d3662cf525eb | mp-1207656 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28Y4Pt4F28Y4Pt4F28Y4Pt4F28
_chemical_formula_sum "Y16 Pt16 F112"
_cell_length_a 10.83939606
_cell_length_b 8.78192589
_cell_length_c 23.76009732
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 6312ccb1-bb20-42eb-bc94-0e27211bd172 | mp-1227411 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba6 Sr6 Ni6 W6 O36"
_cell_length_a 5.73439911
_cell_length_b 17.20305945
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_... |
SuperCellAction | 54dd1e57-5348-4ac2-8b1e-7af71ca100d9 | mp-1111394 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6CsRb2IrF6CsRb2IrF6
_chemical_formula_sum "Cs3 Rb6 Ir3 F18"
_cell_length_a 20.35285107
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamm... |
SuperCellAction | 2f83f0e8-3035-42ed-88e0-9b740c53795b | mp-30902 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Er4Ru4O14Er4Ru4O14Er4Ru4O14Er4Ru4O14
_chemical_formula_sum "Er16 Ru16 O56"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 28.749275999999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_... |
SuperCellAction | 69309e4c-f732-48a9-9875-d04489e022b6 | mp-772438 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li8Co8P8O32Li8Co8P8O32Li8Co8P8O32
_chemical_formula_sum "Li24 Co24 P24 O96"
_cell_length_a 32.10168
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 2dd3d88f-cdbc-4290-a8fe-d796e40bf128 | mp-1209996 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... | data_image0
_chemical_formula_structural Nd4Mo4O8Nd4Mo4O8Nd4Mo4O8Nd4Mo4O8Nd4Mo4O8Nd4Mo4O8
_chemical_formula_sum "Nd24 Mo24 O48"
_cell_length_a 7.63330738
_cell_length_b 22.899922139999997
_cell_length_c 15.26661476
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
... |
SuperCellAction | 71e8bb8b-f4ff-4d44-9166-2b150083914b | mp-1239200 | Create a supercell with the size 3*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 Na8Cr16S32Na8Cr16S32Na8Cr16S32
_chemical_formula_sum "Na24 Cr48 S96"
_cell_length_a 34.766946
_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-... |
SuperCellAction | 1670fb3e-e95d-4384-a20f-721021d443be | mp-1110899 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6K2LiSbBr6K2LiSbBr6K2LiSbBr6
_chemical_formula_sum "K8 Li4 Sb4 Br24"
_cell_length_a 31.29368944
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_... |
SuperCellAction | 90104e30-09d7-4b8e-8386-cfee7096acc1 | mp-760242 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... | data_image0
_chemical_formula_structural Li2V2O2F8Li2V2O2F8Li2V2O2F8Li2V2O2F8
_chemical_formula_sum "Li8 V8 O8 F32"
_cell_length_a 10.803738
_cell_length_b 5.69685013
_cell_length_c 14.06886798
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamm... |
SuperCellAction | 5f05d356-36af-4403-83bc-83b4e5d6acd0 | mp-767720 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... | data_image0
_chemical_formula_structural Li4V8Si8O26Li4V8Si8O26Li4V8Si8O26
_chemical_formula_sum "Li12 V24 Si24 O78"
_cell_length_a 6.939269
_cell_length_b 24.03237258
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamm... |
SuperCellAction | cd8065a1-0ec7-43eb-a8aa-5413c3865c2c | mp-560925 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na10Fe6F28Na10Fe6F28Na10Fe6F28Na10Fe6F28
_chemical_formula_sum "Na40 Fe24 F112"
_cell_length_a 14.857616
_cell_length_b 7.528727
_cell_length_c 25.75729252
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | dab35a43-91b5-41d6-9768-d68249eea70c | mp-1221912 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8
_chemical_formula_sum "Mn12 Cr6 Ga18 S48"
_cell_length_a 37.774881
_cell_length_b 25.183254
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85... |
SuperCellAction | 06d55c7c-7b44-47dd-adf4-c172cce72777 | mp-1223870 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Hf4Al6Pd2Hf4Al6Pd2Hf4Al6Pd2Hf4Al6Pd2Hf4Al6Pd2Hf4Al6Pd2Hf4Al6Pd2Hf4Al6Pd2
_chemical_formula_sum "Hf32 Al48 Pd16"
_cell_length_a 5.29472706
_cell_length_b 21.17890824
_cell_length_c 16.63105532
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 00149ccf-54e0-45b2-b598-bc335c666017 | mp-8876 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12
_chemical_formula_sum "Ca24 Al36 S6 O72"
_cell_length_a 23.63378478
_cell_length_b 15.75585652
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.4... |
SuperCellAction | 8991c615-0f51-4b5e-845a-12942c20e68d | mp-1180875 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32Mn2N12O32
_chemical_formula_sum "Mn4 N24 O64"
_cell_length_a 6.834622
_cell_length_b 18.312438
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | e2f4aeed-16cd-4abb-83fc-8ba91e6308d0 | mp-1204905 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y4Al6Co28Y4Al6Co28
_chemical_formula_sum "Y8 Al12 Co56"
_cell_length_a 16.7317768
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt... |
SuperCellAction | 268df892-5bd4-4744-9108-2bea128a90a6 | mp-1305320 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... | data_image0
_chemical_formula_structural Li16Co2O10F2Li16Co2O10F2Li16Co2O10F2Li16Co2O10F2Li16Co2O10F2Li16Co2O10F2
_chemical_formula_sum "Li96 Co12 O60 F12"
_cell_length_a 10.59696412
_cell_length_b 10.55721191
_cell_length_c 16.317611040000003
_cell_angle_alpha 104.69546631
_cell... |
SuperCellAction | abe95322-d2e1-4791-936e-21e97f66560f | mp-1113545 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2HgAsI6Rb2HgAsI6Rb2HgAsI6Rb2HgAsI6Rb2HgAsI6Rb2HgAsI6Rb2HgAsI6Rb2HgAsI6
_chemical_formula_sum "Rb16 Hg8 As8 I48"
_cell_length_a 16.98618698
_cell_length_b 16.98618698
_cell_length_c 16.98618698
_cell_angle_alpha 59.99999999999999
_cell_an... |
SuperCellAction | 40845b48-9cff-49cb-92c2-3991b1669bbc | mp-776358 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32Li8Mn4C8S2O32Li8Mn4C8S2O32Li8Mn4C8S2O32Li8Mn4C8S2O32Li8Mn4C8S2O32
_chemical_formula_sum "Li48 Mn24 C48 S12 O192"
_cell_length_a 9.68366697
_cell_length_b 28.483692209999997
_cell_length_c 18.73173744
_cell_angle_alpha 61.78178... |
SuperCellAction | a50add72-cf2b-4211-92d2-0fb40854fff5 | mp-26721 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Nb2P4O16Li4Nb2P4O16Li4Nb2P4O16Li4Nb2P4O16
_chemical_formula_sum "Li16 Nb8 P16 O64"
_cell_length_a 5.147372
_cell_length_b 30.931769000000003
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 843cec3f-b2d5-421d-ae77-b7d63ecc8bdb | mp-1197552 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20
_chemical_formula_sum "U64 Pb32 Se160"
_cell_length_a 31.290772
_cell_length_b 16.217
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | e503dd20-a3d5-4758-afed-5318d3563543 | mp-861986 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6Pr10Al4Ru6Pr10Al4Ru6
_chemical_formula_sum "Pr30 Al12 Ru18"
_cell_length_a 8.57985719
_cell_length_b 25.739571570000003
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma ... |
SuperCellAction | 8ea4cfdf-4c23-4b09-8f5f-3f6659d96f87 | mp-1355331 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... | data_image0
_chemical_formula_structural Sr6H10Os4O16Sr6H10Os4O16Sr6H10Os4O16Sr6H10Os4O16Sr6H10Os4O16Sr6H10Os4O16
_chemical_formula_sum "Sr36 H60 Os24 O96"
_cell_length_a 11.755922
_cell_length_b 9.943458519999998
_cell_length_c 32.39372535
_cell_angle_alpha 116.61953445
_cell_an... |
SuperCellAction | 2db4a87e-80f1-4004-9dc8-e941f3c05b2f | mp-756284 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12
_chemical_formula_sum "Li24 Co24 B24 O72"
_cell_length_a 3.11646909
_cell_length_b 27.47125752
_cell_length_c 18.76979994
_cell_angle_alpha 89.99324704
_cell_angle_beta ... |
SuperCellAction | 66eef358-91e5-4a3d-8ee7-0b281f1f3820 | mp-1202862 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8Co4S12N12O8
_chemical_formula_sum "Co8 S24 N24 O16"
_cell_length_a 15.606677
_cell_length_b 12.735894
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 73fb5484-6449-4e0f-9b7d-d5b7138656c4 | mp-1209468 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Pr8Rh2Pr8Rh2Pr8Rh2Pr8Rh2
_chemical_formula_sum "Pr32 Rh8"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 31.81705592
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
SuperCellAction | ba55a1ed-9446-4e58-bc51-893ec6d6c683 | mp-1207687 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12Zr8In12Zr8In12Zr8In12Zr8In12Zr8In12Zr8In12Zr8In12
_chemical_formula_sum "Zr64 In96"
_cell_length_a 13.735838
_cell_length_b 6.867919
_cell_length_c 45.79166284000001
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_... |
SuperCellAction | c42b45c1-4534-447e-a770-8623da43863a | mp-1213028 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2
_chemical_formula_sum "Er4 Mn24 Sn16 Ge8"
_cell_length_a 5.3464204
_cell_length_b 10.6928408
_cell_length_c 17.329248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00... |
SuperCellAction | 3d58243e-ea37-407c-9936-41e68d209ccc | mp-771449 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... | data_image0
_chemical_formula_structural Mn8P4O20Mn8P4O20Mn8P4O20Mn8P4O20
_chemical_formula_sum "Mn32 P16 O80"
_cell_length_a 12.13181094
_cell_length_b 7.30265316
_cell_length_c 16.86319576
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.337... |
SuperCellAction | f15a9d4b-df9b-43dd-8a6c-4410be4d179d | mp-28507 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44
_chemical_formula_sum "La128 Nb112 S352"
_cell_length_a 16.39108437
_cell_length_b 32.78216874
_cell_length_c 23.375298
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 0f2a653b-73cc-4da2-9755-6b174d1e6a85 | mp-31486 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_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 K8Sn4Bi4K8Sn4Bi4K8Sn4Bi4K8Sn4Bi4K8Sn4Bi4K8Sn4Bi4
_chemical_formula_sum "K48 Sn24 Bi24"
_cell_length_a 13.17581632
_cell_length_b 6.81610235
_cell_length_c 40.33839225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | f9e29213-27e0-4f82-a8ea-ba03153e69de | mp-557123 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32
_chemical_formula_sum "Na48 Cu24 Si72 O192"
_cell_length_a 31.231671000000002
_cell_length_b 16.025624
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_... |
SuperCellAction | d29fbd10-4f52-45fa-b077-ca4bbf580890 | mp-554002 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6Al2H6O6Al2H6O6Al2H6O6Al2H6O6Al2H6O6Al2H6O6Al2H6O6
_chemical_formula_sum "Al16 H48 O48"
_cell_length_a 4.959562
_cell_length_b 10.29615976
_cell_length_c 20.78233928
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_ce... |
SuperCellAction | 31547fc6-208d-487f-90f2-bd888090b394 | mp-1214900 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40B4C48Cl4F40
_chemical_formula_sum "B32 C384 Cl32 F320"
_cell_length_a 6.496112
_cell_length_b 29.51888
_cell_length_c 67.92736379999998
_cell_angle_alpha 57.45976... |
SuperCellAction | 5df88754-df2f-4913-ad9e-310c96acb0ed | mp-1227442 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5
_chemical_formula_sum "Be16 B8 H24 O40"
_cell_length_a 4.41713532
_cell_length_b 17.74296668
_cell_length_c 10.55111292
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.... |
SuperCellAction | c43aafab-8097-4476-a5f1-9213de8ac8c8 | mp-1191389 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16Pr4V4O16Pr4V4O16Pr4V4O16Pr4V4O16Pr4V4O16Pr4V4O16Pr4V4O16
_chemical_formula_sum "Pr32 V32 O128"
_cell_length_a 13.33797434
_cell_length_b 6.9885765200000005
_cell_length_c 28.881856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | a7c623fa-f210-4c61-b2dc-2ccd73d7f509 | mp-1220625 | Create a supercell with the size 2X2X1. | 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 Nd4Si7Nd4Si7Nd4Si7Nd4Si7
_chemical_formula_sum "Nd16 Si28"
_cell_length_a 6.534994
_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_H-M_alt "... |
SuperCellAction | 1f6bd477-7afe-414f-8565-fb4db73b968f | mp-2452 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10P4O10P4O10P4O10P4O10P4O10P4O10P4O10
_chemical_formula_sum "P32 O80"
_cell_length_a 4.83501677
_cell_length_b 9.67003068
_cell_length_c 34.24747184
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma ... |
SuperCellAction | 09114626-e580-4457-8744-e941f1b8d9c3 | mp-6564 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 Sr4Mg2Si4O14Sr4Mg2Si4O14Sr4Mg2Si4O14Sr4Mg2Si4O14
_chemical_formula_sum "Sr16 Mg8 Si16 O56"
_cell_length_a 16.19436
_cell_length_b 8.09718
_cell_length_c 10.45308
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 8ab9847f-d711-4a2f-914e-d48d0e729876 | mp-19984 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_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_n... | data_image0
_chemical_formula_structural Tb4B16Tb4B16Tb4B16Tb4B16Tb4B16Tb4B16Tb4B16Tb4B16
_chemical_formula_sum "Tb32 B128"
_cell_length_a 34.084908
_cell_length_b 17.042454
_cell_length_c 4.201706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 6ad86998-27e4-4cc4-8cf9-53cc76091af6 | mp-2223123 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2MgTe2Mo3Se2S2
_chemical_formula_sum "Mg2 Te4 Mo6 Se4 S4"
_cell_length_a 6.684852
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.9987935... |
SuperCellAction | 312592f8-7676-4c23-9c06-ca1ea448d6fd | mp-1202068 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16
_chemical_formula_sum "Pd8 C32 S32 I16 N64"
_cell_length_a 9.834666
_cell_length_b 17.21410744
_cell_length_c 30.429036759999995
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.... |
SuperCellAction | e82538d1-f85b-427f-bce9-8a9994660737 | mp-1189241 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4Gd4As8Au4Gd4As8Au4Gd4As8Au4Gd4As8Au4Gd4As8Au4
_chemical_formula_sum "Gd24 As48 Au24"
_cell_length_a 8.09311318
_cell_length_b 12.13966977
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | a8d9bc01-0183-4dc0-9a0d-a62c6b0df71e | mp-559738 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40Sb8S8N8Cl40Sb8S8N8Cl40
_chemical_formula_sum "Sb24 S24 N24 Cl120"
_cell_length_a 13.73769578
_cell_length_b 41.213087339999994
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_ang... |
SuperCellAction | e0c189e4-d3a8-4f7e-a7ca-e0817c766db6 | mp-1247837 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32
_chemical_formula_sum "Al96 Zn48 S192"
_cell_length_a 6.159869
_cell_length_b 14.799908
_cell_length_c 79.162719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 060db2c4-66e3-4e48-a95f-f4570c9588d2 | mp-1217186 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12
_chemical_formula_sum "Ti9 Sn15 S36"
_cell_length_a 10.85808153
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 0285cb8f-6260-434b-a473-a5358b4ff554 | mp-561216 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Cu8Ge8O24Cu8Ge8O24Cu8Ge8O24Cu8Ge8O24Cu8Ge8O24Cu8Ge8O24Cu8Ge8O24Cu8Ge8O24
_chemical_formula_sum "Cu64 Ge64 O192"
_cell_length_a 30.95288416
_cell_length_b 7.73822104
_cell_length_c 17.42894
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 6436c003-d391-49c8-af11-4790f2ab438c | mp-1029153 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2
_chemical_formula_sum "Te16 Mo16 W16 Se32 S16"
_cell_length_a 6.68334154
_cell_length_b 6.68334154
_cell_length_c 76.075816
_cell_angle_a... |
SuperCellAction | a12e56e6-1c48-4e14-8c33-995a91ed0b4a | mp-1245133 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40
_chemical_formula_sum "Sn320 O320"
_cell_length_a 46.98549532
_cell_length_b 12.838853849999998
_cell_length_c 23.434857799999996
_cell_angle_alpha 89.04503959
_cell_angle_beta 9... |
SuperCellAction | 08c63202-6db2-4c37-9433-896262455c57 | mp-1522961 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural NaSrNbSbO6NaSrNbSbO6
_chemical_formula_sum "Na2 Sr2 Nb2 Sb2 O12"
_cell_length_a 11.64376306
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma ... |
SuperCellAction | 5eb2fdf5-19d2-40bf-81ef-0b54a84fe61d | mp-1181899 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cd2Br4O8Cd2Br4O8Cd2Br4O8Cd2Br4O8Cd2Br4O8Cd2Br4O8
_chemical_formula_sum "Cd12 Br24 O48"
_cell_length_a 9.518223
_cell_length_b 11.110623
_cell_length_c 15.19028874
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 07d04511-9e35-477c-b2f6-4a2144f1e08c | mp-1214420 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12
_chemical_formula_sum "Ba8 Hf8 F48"
_cell_length_a 6.86460262
_cell_length_b 27.458410479999998
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.328934... |
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