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 | 82364ac5-9375-44ca-9edf-7a157b852f10 | mp-1205559 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6Yb2In2Br6Yb2In2Br6
_chemical_formula_sum "Yb6 In6 Br18"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 32.20595163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_grou... |
SuperCellAction | 5215cf0f-fdf5-4a55-9950-4e472dca1b13 | mp-1227411 | Create a supercell with the size 3x2x1. | 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 Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba12 Sr12 Ni12 W12 O72"
_cell_length_a 17.203197330000002
_cell_length_b 11.4687063
_cell_length_c 9.9321412
_cell_angle_alpha 73.2... |
SuperCellAction | f7a0f939-b11e-4b65-a949-88d6a23e74d5 | mp-1233510 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398
_spa... | data_image0
_chemical_formula_structural MgAg20Bi4O16MgAg20Bi4O16MgAg20Bi4O16MgAg20Bi4O16
_chemical_formula_sum "Mg4 Ag80 Bi16 O64"
_cell_length_a 23.90459176
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
... |
SuperCellAction | 318c4cbb-c424-4f59-80d9-06586b2deea1 | mp-1190647 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16
_chemical_formula_sum "Ge48 F128"
_cell_length_a 9.91876778
_cell_length_b 20.31878584
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 9... |
SuperCellAction | 15879971-ce34-46e7-bf0e-48c80f5edeef | mp-777888 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12Li4Fe4F12
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 6.105144
_cell_length_b 12.22346164
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_spa... |
SuperCellAction | 12e4a71b-3eed-4e6b-b439-24e1279dc270 | mp-12241 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Ca22Sb20
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316000002... | data_image0
_chemical_formula_structural Ca22Sb20Ca22Sb20
_chemical_formula_sum "Ca44 Sb40"
_cell_length_a 24.0351564
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.000003... |
SuperCellAction | 79e4c8dd-c3c2-422d-8bd2-804d76f72f17 | mp-1247135 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Si14Ge2N20
_chemical_formula_sum "Si14 Ge2 N20"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Si14Ge2N20Si14Ge2N20Si14Ge2N20Si14Ge2N20
_chemical_formula_sum "Si56 Ge8 N80"
_cell_length_a 6.9613158
_cell_length_b 27.000484
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gam... |
SuperCellAction | bdaf9014-6f81-409b-9497-af7addcf5759 | mp-1179664 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural V8Hg8O28
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_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 V8Hg8O28V8Hg8O28V8Hg8O28V8Hg8O28V8Hg8O28V8Hg8O28
_chemical_formula_sum "V48 Hg48 O168"
_cell_length_a 3.457299
_cell_length_b 38.532104
_cell_length_c 36.006612000000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 5545631f-a3b1-4f8f-b74e-403daefc1dac | mp-1095216 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8
_chemical_formula_sum "Nd12 As12 O48"
_cell_length_a 13.69285118
_cell_length_b 6.84641035
_cell_length_c 20.539262970000003
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.033... |
SuperCellAction | a41136e1-0739-4f49-8a0c-833682c41399 | mp-1225453 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51Er14Ag51Er14Ag51Er14Ag51Er14Ag51Er14Ag51
_chemical_formula_sum "Er84 Ag306"
_cell_length_a 38.174323199999996
_cell_length_b 12.7247744
_cell_length_c 18.69988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 1... |
SuperCellAction | 6159e189-1d21-49f8-85cd-e243fe8edf89 | mp-1217519 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16
_chemical_formula_sum "Th16 V32 Pb16 O128"
_cell_length_a 6.80264855
_cell_length_b 28.03113824
_cell_length_c 14.62871042
_cell_angle_alpha 88.923285... |
SuperCellAction | 6b5355ed-d835-4eff-be3e-927d359f5574 | mp-1039565 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ce2Mg10
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_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 Ce2Mg10Ce2Mg10Ce2Mg10
_chemical_formula_sum "Ce6 Mg30"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 53.87519505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | e5b301ce-5b89-4b06-ab16-4f18a3858aed | mp-627601 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8Ag4Sb4S8Ag4Sb4S8Ag4Sb4S8
_chemical_formula_sum "Ag16 Sb16 S32"
_cell_length_a 14.89158128
_cell_length_b 14.89158128
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.... |
SuperCellAction | 65ba749d-0d42-4bad-bf9f-4f0f770ba29a | mp-559593 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6
_chemical_formula_sum "P18 S54 N90 F36"
_cell_length_a 11.52852389
_cell_length_b 23.05704778
_cell_length_c 34.585572000000006
_cell_angle_alpha 117.55470366999998
_cell_angle_beta ... |
SuperCellAction | 67fb6cf3-aee9-44d2-98d5-a29bfb111c35 | mp-1576333 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Mn2Al2W4O16
_chemical_formula_sum "Mn2 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422000000... | data_image0
_chemical_formula_structural Mn2Al2W4O16Mn2Al2W4O16Mn2Al2W4O16Mn2Al2W4O16Mn2Al2W4O16Mn2Al2W4O16Mn2Al2W4O16Mn2Al2W4O16
_chemical_formula_sum "Mn16 Al16 W32 O128"
_cell_length_a 20.49114264
_cell_length_b 11.348556
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642... |
SuperCellAction | 77ab945f-eb37-4d79-af87-442f92b82bfe | mp-1190028 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6
_chemical_formula_sum "Tm24 Al72 Ni48"
_cell_length_a 17.79427282
_cell_length_b 35.58854564
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 9f6812b3-269b-4a15-832b-09df51523adc | mp-1198979 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18K6Na14MgTl18K6Na14MgTl18K6Na14MgTl18K6Na14MgTl18K6Na14MgTl18K6Na14MgTl18K6Na14MgTl18
_chemical_formula_sum "K48 Na112 Mg8 Tl144"
_cell_length_a 21.20287126
_cell_length_b 10.60143563
_cell_length_c 42.40574252
_cell_angle_alpha ... |
SuperCellAction | 647193be-4e2a-4457-a29f-b94ac057e973 | mp-1272968 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8
_chemical_formula_sum "Na16 V32 O64"
_cell_length_a 10.38420138
_cell_length_b 23.77666804
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43... |
SuperCellAction | 89da9f10-ec3f-43de-8a4e-3d24cdfa53aa | mp-1191019 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7Er2Mn12P7Er2Mn12P7Er2Mn12P7Er2Mn12P7Er2Mn12P7
_chemical_formula_sum "Er12 Mn72 P42"
_cell_length_a 27.85053132
_cell_length_b 9.28351044
_cell_length_c 7.166234
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | e8ae60f1-539f-4df2-a3e1-ece9bd4a365d | mp-1216954 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6
_chemical_formula_sum "Tm24 Sc24 Ge24"
_cell_length_a 24.47000804
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_ga... |
SuperCellAction | 1061aeb0-213f-41c2-b1aa-2b4215c7a960 | mp-1359492 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma 40.4... | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28Ba4Zn2Cu2Bi4F28Ba4Zn2Cu2Bi4F28Ba4Zn2Cu2Bi4F28Ba4Zn2Cu2Bi4F28Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba24 Zn12 Cu12 Bi24 F168"
_cell_length_a 23.308669950000002
_cell_length_b 15.5391133
_cell_length_c 16.18337066
_cell_angle_alp... |
SuperCellAction | 6c5cea8a-5eac-4083-8b29-920fbab502af | mp-1209592 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24P8O24P8O24P8O24P8O24P8O24P8O24P8O24
_chemical_formula_sum "P64 O192"
_cell_length_a 30.80451092
_cell_length_b 15.40225546
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_sp... |
SuperCellAction | 43601b97-7c50-441f-a682-56b8beee3057 | mp-1303460 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24Li4Co4C8O24Li4Co4C8O24Li4Co4C8O24
_chemical_formula_sum "Li16 Co16 C32 O96"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 37.41096128
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999... |
SuperCellAction | f5aa45c6-08b6-4fc9-92f6-79913322ebc7 | mp-26941 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16
_chemical_formula_sum "Li32 Mn32 P32 O128"
_cell_length_a 5.696573
_cell_length_b 25.33366828
_cell_length_c 18.641398639999995
_cell_angle_alpha 76.7... |
SuperCellAction | 97e63066-4870-4e39-98cb-c18c488bef5d | mp-1200198 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8Cu8P8S4O68Cd8Cu8P8S4O68Cd8Cu8P8S4O68Cd8Cu8P8S4O68Cd8Cu8P8S4O68Cd8Cu8P8S4O68
_chemical_formula_sum "Cd48 Cu48 P48 S24 O408"
_cell_length_a 21.142396
_cell_length_b 20.939412
_cell_length_c 18.128111999999998
_cell_angle_alpha 90.0
_cell_... |
SuperCellAction | 1b37cf99-44b1-4c1c-9049-dc0ac065c2ce | mp-1193000 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12NiC4S4N2O12NiC4S4N2O12NiC4S4N2O12NiC4S4N2O12NiC4S4N2O12
_chemical_formula_sum "Ni6 C24 S24 N12 O72"
_cell_length_a 19.81738976
_cell_length_b 8.05340079
_cell_length_c 22.72085382
_cell_angle_alpha 67.5170454
_cell_angle_beta ... |
SuperCellAction | 05b8ce7d-da2a-4c79-b28e-34bd7147bb9f | mp-1212287 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Ho6B14Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6B14Mo2Ho6B14Mo2Ho6B14Mo2Ho6B14Mo2Ho6B14Mo2Ho6B14Mo2Ho6B14Mo2Ho6B14Mo2
_chemical_formula_sum "Ho48 B112 Mo16"
_cell_length_a 16.29897512
_cell_length_b 8.14948756
_cell_length_c 37.81694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | bf8b3e4b-8e0b-46a2-964c-738ec302bca2 | mp-764994 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li6V6P16O58
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_space... | data_image0
_chemical_formula_structural Li6V6P16O58Li6V6P16O58Li6V6P16O58
_chemical_formula_sum "Li18 V18 P48 O174"
_cell_length_a 29.197179
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gam... |
SuperCellAction | 58f71c63-5086-43ee-9847-de65f392d476 | mp-1227202 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24
_chemical_formula_sum "Ca8 Al32 Si64 O192"
_cell_length_a 10.440488
_cell_length_b 9.08413944
_cell_length_c 63.01210444
_cell_angle_alpha 106.4849111... |
SuperCellAction | 77304cae-7c34-4aae-a374-25a649d3976a | mp-1100889 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14Y6B6O14Y6B6O14Y6B6O14
_chemical_formula_sum "Y24 B24 O56"
_cell_length_a 4.02373971
_cell_length_b 16.0949566
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_... |
SuperCellAction | 64826efd-b3b4-44fe-a7a5-7b76740f3929 | mp-680133 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Cd17I34
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd17I34Cd17I34
_chemical_formula_sum "Cd34 I68"
_cell_length_a 4.33968349
_cell_length_b 8.67936698
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_al... |
SuperCellAction | 3b31742e-ad1b-440f-bb7d-48348ef50a36 | mp-769928 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Li4NbV3O8
_chemical_formula_sum "Li8 Nb2 V6 O16"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 29.99128754
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33... |
SuperCellAction | e84d39fa-54f6-444c-a810-f03345150f6f | mp-1520816 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24
_chemical_formula_sum "Ba24 Eu24 Zr48 O144"
_cell_length_a 8.44182873
_cell_length_b 16.88365746
_cell_length_c 25.33288395
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 53de772b-1c15-4931-956f-6f66a35d294e | mp-760314 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19
_chemical_formula_sum "V48 O40 F152"
_cell_length_a 21.42898
_cell_length_b 10.99457732
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.656871... |
SuperCellAction | d92ced1e-cd6a-45da-99d0-75476af8816a | mp-1192907 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16Cr6P4O16Cr6P4O16Cr6P4O16
_chemical_formula_sum "Cr24 P16 O64"
_cell_length_a 19.34749412
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999... |
SuperCellAction | d7898d36-0d0d-4ae0-814c-a0b9a056acca | mp-753993 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Nb4V4O20
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_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 Nb4V4O20Nb4V4O20Nb4V4O20Nb4V4O20Nb4V4O20Nb4V4O20
_chemical_formula_sum "Nb24 V24 O120"
_cell_length_a 5.5994912
_cell_length_b 14.07437722
_cell_length_c 35.97262764
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 34e316b8-ede1-412a-9527-cecb3ecb0991 | mp-1386638 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16
_chemical_formula_sum "Na20 Cu12 P16 O64"
_cell_length_a 5.153311
_cell_length_b 34.00720912
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell... |
SuperCellAction | 5c1fa897-01e5-44c2-919f-42b2d6e3cc67 | mp-705636 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li6Mn20O40
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.19014... | data_image0
_chemical_formula_structural Li6Mn20O40Li6Mn20O40Li6Mn20O40Li6Mn20O40Li6Mn20O40Li6Mn20O40Li6Mn20O40Li6Mn20O40
_chemical_formula_sum "Li48 Mn160 O320"
_cell_length_a 5.89207024
_cell_length_b 23.432680719999997
_cell_length_c 59.54993806
_cell_angle_alpha 60.5364130999... |
SuperCellAction | b5b9d152-dc64-482d-90a6-df1b402b0607 | mp-1197433 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Sm10Co38
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sm10Co38Sm10Co38Sm10Co38Sm10Co38Sm10Co38Sm10Co38Sm10Co38Sm10Co38
_chemical_formula_sum "Sm80 Co304"
_cell_length_a 9.980448
_cell_length_b 9.980446699999998
_cell_length_c 63.822048
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 3e36fee4-eccf-4873-9358-b287b0db7665 | mp-1209821 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8Np4Ge4O8Np4Ge4O8
_chemical_formula_sum "Np12 Ge12 O24"
_cell_length_a 7.38406569
_cell_length_b 22.15219707
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797... |
SuperCellAction | da37da9a-0233-4d9e-83b6-46c36364760f | mp-766138 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20Li6Fe4P4O20Li6Fe4P4O20Li6Fe4P4O20
_chemical_formula_sum "Li24 Fe16 P16 O80"
_cell_length_a 12.88244342
_cell_length_b 12.88244342
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.7... |
SuperCellAction | ecd106bb-81f2-4f1f-8780-e1607dea0a61 | mp-1194470 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Hf6Al16Pt7
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_group_name... | data_image0
_chemical_formula_structural Hf6Al16Pt7Hf6Al16Pt7Hf6Al16Pt7Hf6Al16Pt7Hf6Al16Pt7Hf6Al16Pt7Hf6Al16Pt7Hf6Al16Pt7
_chemical_formula_sum "Hf48 Al128 Pt56"
_cell_length_a 8.69292695
_cell_length_b 34.77170852
_cell_length_c 17.385853
_cell_angle_alpha 60.00003086
_cell_angl... |
SuperCellAction | 43979222-bd5e-45d0-87be-caccb50b1996 | mp-2526683 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21W7O21W7O21
_chemical_formula_sum "W21 O63"
_cell_length_a 22.2050658
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_sp... |
SuperCellAction | f1ddee80-eb05-4f26-a9a4-a4392439da9b | mp-1176443 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn4Fe4B4O16Mn4Fe4B4O16
_chemical_formula_sum "Mn8 Fe8 B8 O32"
_cell_length_a 6.413268
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | f679afff-0123-4532-895a-3797855bcd28 | mp-504554 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Ba5Ta4O15
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_space_grou... | data_image0
_chemical_formula_structural Ba5Ta4O15Ba5Ta4O15Ba5Ta4O15Ba5Ta4O15Ba5Ta4O15Ba5Ta4O15
_chemical_formula_sum "Ba30 Ta24 O90"
_cell_length_a 17.45935785
_cell_length_b 5.81978595
_cell_length_c 23.769266740000003
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.99996... |
SuperCellAction | e4ade35d-39b9-43b7-9c4d-daea879cac32 | mp-1204107 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Al8Fe4Si10O36
_chemical_formula_sum "Al8 Fe4 Si10 O36"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al8Fe4Si10O36Al8Fe4Si10O36Al8Fe4Si10O36
_chemical_formula_sum "Al24 Fe12 Si30 O108"
_cell_length_a 10.03890181
_cell_length_b 30.11670543
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.725... |
SuperCellAction | c36c4491-227a-4e8e-b1b7-a034f32c2e8a | mp-1019708 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs24 Ba24 Li24 P48 O168"
_cell_length_a 32.953161
_cell_length_b 7.180708
_cell_length_c 21.762731179999996
_cell_angle_alpha 74.43... |
SuperCellAction | e78d6957-69a5-4ed2-b917-f41d70b5b00c | mp-1033689 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural RbMg6BO7
_chemical_formula_sum "Rb1 Mg6 B1 O7"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_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 RbMg6BO7RbMg6BO7
_chemical_formula_sum "Rb2 Mg12 B2 O14"
_cell_length_a 4.038395
_cell_length_b 8.07679
_cell_length_c 12.807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SuperCellAction | 9161962c-935b-4630-ae40-820110c0a0b5 | mp-1224552 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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 Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8
_chemical_formula_sum "Ho24 Ni6 Sn48"
_cell_length_a 4.390995
_cell_length_b 13.192305
_cell_length_c 33.776098
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | e598f87c-f519-449e-baa4-dad3cba306c7 | mp-34195 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6Ba2C2O6
_chemical_formula_sum "Ba4 C4 O12"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 12.30467078
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 59912cc5-4e81-4351-a483-9878a64585ed | mp-761916 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8
_chemical_formula_sum "Na32 H128 Au32 Br128 O64"
_cell_length_a 15.21384
_cell_length_b 18.981436
_cell_length_c 26.83398... |
SuperCellAction | 891e44de-f04a-4229-823b-1815dca140c8 | mp-1359845 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28
_chemical_formula_sum "Ca12 Cu24 P48 O168"
_cell_length_a 5.418871
_cell_length_b 23.974798709999998
_cell_length_c 25.75360494
_cell_angle_alpha 90.19229106
_cell_angle_be... |
SuperCellAction | b4b4a142-a373-4fc7-a77b-2b2e9a1712fa | mp-1202862 | Create a supercell with the size 1 by 3 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 Co4S12N12O8Co4S12N12O8Co4S12N12O8
_chemical_formula_sum "Co12 S36 N36 O24"
_cell_length_a 15.606677
_cell_length_b 19.103841
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | aae08b69-f380-4a1e-948d-111d4b5a609d | mp-2715503 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na48 Sc16 Si16 Ge16 P32 O192"
_cell_length_a 61.40322676
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | 60c9f470-4243-4041-889f-0ebe88ed40a0 | mp-1100683 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li54 Mn12 Co30 O96"
_cell_length_a 23.147796900000003
_cell_length_b 15.431864599999999
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333... |
SuperCellAction | 8507cfc7-32e7-4cb5-b2ae-ea5b03c3967a | mp-559738 | Create a supercell with the size 1X3X1. | 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 | 1b4a16f9-e8ae-4603-a290-c9c3224dd022 | mp-754011 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi6O12Li2Bi6O12Li2Bi6O12Li2Bi6O12Li2Bi6O12Li2Bi6O12
_chemical_formula_sum "Li12 Bi36 O72"
_cell_length_a 13.45617476
_cell_length_b 6.728087380000001
_cell_length_c 20.184262770000004
_cell_angle_alpha 93.14724735999998
_cell_angle_beta... |
SuperCellAction | 12a7e938-bd69-4113-a50f-ecc2d577360f | mp-555534 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K8Mn2Mo8O30
_chemical_formula_sum "K8 Mn2 Mo8 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8Mn2Mo8O30K8Mn2Mo8O30K8Mn2Mo8O30K8Mn2Mo8O30K8Mn2Mo8O30K8Mn2Mo8O30K8Mn2Mo8O30K8Mn2Mo8O30
_chemical_formula_sum "K64 Mn16 Mo64 O240"
_cell_length_a 42.274362
_cell_length_b 21.137181
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 1ff1581b-a2dc-46f1-916d-10c0ceaa0185 | mp-1228731 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba8 Li12 La12 Mo32 O128"
_cell_length_a 5.410768
_cell_length_b 28.50522608
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta ... |
SuperCellAction | c5ca6224-7953-4704-9d0a-dcf749cbfaaf | mp-1405776 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural La2VZnO6
_chemical_formula_sum "La2 V1 Zn1 O6"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660000004... | data_image0
_chemical_formula_structural La2VZnO6La2VZnO6La2VZnO6La2VZnO6La2VZnO6La2VZnO6
_chemical_formula_sum "La12 V6 Zn6 O36"
_cell_length_a 16.60589409
_cell_length_b 11.07059606
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.5717350199... |
SuperCellAction | 44d43805-a67c-47c5-b45b-966353662afb | mp-765679 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Na5Ni6O12
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_group... | data_image0
_chemical_formula_structural Na5Ni6O12Na5Ni6O12
_chemical_formula_sum "Na10 Ni12 O24"
_cell_length_a 5.90590272
_cell_length_b 13.55834136
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
... |
SuperCellAction | 48566628-9719-4b5c-a969-6306216b9d9a | mp-753408 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural K2Li2Co2O4
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
_... | data_image0
_chemical_formula_structural K2Li2Co2O4K2Li2Co2O4K2Li2Co2O4K2Li2Co2O4
_chemical_formula_sum "K8 Li8 Co8 O16"
_cell_length_a 11.42172422
_cell_length_b 11.42172422
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_c... |
SuperCellAction | 2efd09cb-fa5a-4830-bede-b6bc3eb34d4c | mp-771174 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20
_chemical_formula_sum "Ba32 B32 O80"
_cell_length_a 4.38263547
_cell_length_b 20.7337187
_cell_length_c 25.67697926
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 79807aa8-ea3a-4e67-ac1e-0e974e2f9f21 | mp-8877 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Sr4Al6SO12
_chemical_formula_sum "Sr4 Al6 S1 O12"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Sr4Al6SO12Sr4Al6SO12Sr4Al6SO12
_chemical_formula_sum "Sr12 Al18 S3 O36"
_cell_length_a 8.09501311
_cell_length_b 24.28503933
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 10... |
SuperCellAction | 7cbf5204-5a02-40c5-b306-202220388604 | mp-26157 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48
_chemical_formula_sum "Li16 Sb16 P64 O192"
_cell_length_a 18.70452
_cell_length_b 20.712844
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | e73be249-4b59-4ab0-bc6c-17a33ad19226 | mp-11321 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14Y6Ta2O14
_chemical_formula_sum "Y12 Ta4 O28"
_cell_length_a 12.89851206
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_nam... |
SuperCellAction | 2e42a4cd-54e0-4164-93e0-88284a1b95b9 | mp-1026795 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14WLiMg14WLiMg14WLiMg14WLiMg14WLiMg14WLiMg14WLiMg14W
_chemical_formula_sum "Li8 Mg112 W8"
_cell_length_a 6.29929991
_cell_length_b 25.197197640000002
_cell_length_c 19.90647368
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | c8f4a394-a192-47a9-bc47-c4c217597c4c | mp-1522139 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6Ca2HfZrO6Ca2HfZrO6Ca2HfZrO6Ca2HfZrO6Ca2HfZrO6
_chemical_formula_sum "Ca12 Hf6 Zr6 O36"
_cell_length_a 5.84477636
_cell_length_b 11.689552720000002
_cell_length_c 17.53432908
_cell_angle_alpha 60.00000000000001
_cell_angle_beta ... |
SuperCellAction | c7b90261-5bc2-42cf-b67e-6780a199e55d | mp-13456 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural Zn5S5Zn5S5Zn5S5Zn5S5Zn5S5Zn5S5Zn5S5Zn5S5
_chemical_formula_sum "Zn40 S40"
_cell_length_a 62.90020076
_cell_length_b 15.725050190000001
_cell_length_c 31.45009844
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
... |
SuperCellAction | c985974e-ff0d-47b4-8d38-dd79afcd83b0 | mp-1519755 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6SrSmEuVO6SrSmEuVO6SrSmEuVO6SrSmEuVO6SrSmEuVO6
_chemical_formula_sum "Sr6 Sm6 Eu6 V6 O36"
_cell_length_a 11.69662872
_cell_length_b 17.544943079999996
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angl... |
SuperCellAction | d0b59d08-6ce4-40cb-80d7-b64e2e5576fd | mp-1234210 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural MgP4Br12O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... | data_image0
_chemical_formula_structural MgP4Br12O4MgP4Br12O4MgP4Br12O4
_chemical_formula_sum "Mg3 P12 Br36 O12"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 34.160694989999996
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma... |
SuperCellAction | 983ff5fa-ee49-47e0-adf5-971defa89825 | mp-1208324 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti8Al12Ti8Al12Ti8Al12Ti8Al12
_chemical_formula_sum "Ti32 Al48"
_cell_length_a 12.237582
_cell_length_b 12.237582
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | b4f06c6b-2b96-4a56-9356-c6769add79b9 | mp-759254 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48
_chemical_formula_sum "Li12 Bi48 P84 O288"
_cell_length_a 33.01650978
_cell_length_b 22.273609320000002
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cel... |
SuperCellAction | 318b0901-2018-4d69-ae74-799a3692eca8 | mp-1209288 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 Pr4Te4As4Pr4Te4As4Pr4Te4As4Pr4Te4As4Pr4Te4As4Pr4Te4As4Pr4Te4As4Pr4Te4As4
_chemical_formula_sum "Pr32 Te32 As32"
_cell_length_a 8.32707026
_cell_length_b 31.30030708
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 770f062e-3836-4619-ab50-d57e88f79be9 | mp-1110828 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6K2NaTaF6
_chemical_formula_sum "K4 Na2 Ta2 F12"
_cell_length_a 12.30229214
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.99... |
SuperCellAction | 4ad12f2b-26e9-4256-8e2a-42b2410adb28 | mp-20547 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Ca4Fe8O16
_chemical_formula_sum "Ca4 Fe8 O16"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_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 Ca4Fe8O16Ca4Fe8O16Ca4Fe8O16Ca4Fe8O16Ca4Fe8O16Ca4Fe8O16Ca4Fe8O16Ca4Fe8O16
_chemical_formula_sum "Ca32 Fe64 O128"
_cell_length_a 6.05134976
_cell_length_b 36.97384864
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | d41b754f-536d-488a-ba49-11d52846088a | mp-1197546 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20
_chemical_formula_sum "Ca24 Cu24 As24 O120"
_cell_length_a 17.080254
_cell_length_b 7.548846
_cell_length_c 19.373078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 47347008-2912-40b7-bf4d-f46676f33512 | mp-1214189 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_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 Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24
_chemical_formula_sum "Be48 Si48 C64 S16 O192"
_cell_length_a 8.021437
_cell_length_b 32.085748
_cell_length_c 16.042874
_cell_angle_alph... |
SuperCellAction | 915248fb-6a6d-4bf7-8451-224f86d5ac38 | mp-1113048 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Cs2RbAlF6
_chemical_formula_sum "Cs2 Rb1 Al1 F6"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117
_s... | data_image0
_chemical_formula_structural Cs2RbAlF6Cs2RbAlF6Cs2RbAlF6
_chemical_formula_sum "Cs6 Rb3 Al3 F18"
_cell_length_a 17.94117732
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.00000114
_cell_angle_gamma 60... |
SuperCellAction | ec32a7ac-66b4-4a7a-9de3-9809d594ee9e | mp-760927 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na4Ti4P4O20Na4Ti4P4O20
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.547784
_cell_length_b 14.992566
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 91dc3acc-c1d6-4305-954d-211c2246e92b | mp-1539446 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Cs4Pt2Cl8
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Pt2Cl8Cs4Pt2Cl8Cs4Pt2Cl8Cs4Pt2Cl8
_chemical_formula_sum "Cs16 Pt8 Cl32"
_cell_length_a 7.44671597
_cell_length_b 29.7868632
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9884134599999... |
SuperCellAction | c1211aa6-2a8b-464e-a7f7-ac2a9b51ff66 | mp-580962 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 Rb2C4I6N4Rb2C4I6N4
_chemical_formula_sum "Rb4 C8 I12 N8"
_cell_length_a 9.224902
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | fe509620-f96e-4c88-a2cb-b2d73d7230aa | mp-1207936 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural V4B4P8N4O36
_chemical_formula_sum "V4 B4 P8 N4 O36"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural V4B4P8N4O36V4B4P8N4O36
_chemical_formula_sum "V8 B8 P16 N8 O72"
_cell_length_a 16.825574
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 67c51eee-20d0-48c8-9979-3976118c5027 | mp-1112206 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6
_chemical_formula_sum "K16 Ga8 Hg8 I48"
_cell_length_a 33.6001586
_cell_length_b 16.8000793
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | bbc98db0-65c2-4752-87f0-5e91723795a5 | mp-763659 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8
_chemical_formula_sum "Li12 V8 Fe8 O32"
_cell_length_a 5.944184
_cell_length_b 11.89357448
_cell_length_c 11.93866752
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle... |
SuperCellAction | 2ee0f970-d26f-42ee-b85d-edc682030503 | mp-1033833 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7
_chemical_formula_sum "Cs6 Rb6 Mg36 O42"
_cell_length_a 24.04713471
_cell_length_b 5.11553541
_cell_length_c 10.231077079999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
... |
SuperCellAction | 20936d90-d21e-4df4-b57a-7c75762af019 | mp-1238696 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Fe4H40S8N16O32
_chemical_formula_sum "Fe4 H40 S8 N16 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48701985... | data_image0
_chemical_formula_structural Fe4H40S8N16O32Fe4H40S8N16O32Fe4H40S8N16O32Fe4H40S8N16O32Fe4H40S8N16O32Fe4H40S8N16O32Fe4H40S8N16O32Fe4H40S8N16O32
_chemical_formula_sum "Fe32 H320 S64 N128 O256"
_cell_length_a 34.05158728
_cell_length_b 23.97047662
_cell_length_c 9.3625296599... |
SuperCellAction | ead34dc7-1466-430b-aedb-7bbe5eb3122c | mp-1098369 | Create a supercell with the size 4 by 1 by 1. | 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 34.385216
_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
_s... |
SuperCellAction | 4649cd8b-845e-411d-805f-351b36f06eb8 | mp-1212504 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36
_chemical_formula_sum "Nd32 P48 H80 W16 O144"
_cell_length_a 17.62474
_cell_length_b 19.718248
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90... |
SuperCellAction | e0681d31-a629-42b8-bc94-e1ecea7c2e12 | mp-755878 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11Cu6OF11
_chemical_formula_sum "Cu12 O2 F22"
_cell_length_a 5.54772546
_cell_length_b 11.67226006
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group... |
SuperCellAction | df3f89b6-616d-46fa-86f0-5207934e494c | mp-1044845 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33Ba6Al3Fe6F33Ba6Al3Fe6F33
_chemical_formula_sum "Ba18 Al9 Fe18 F99"
_cell_length_a 22.34841192
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565... |
SuperCellAction | ab104dec-1fc0-4669-a28b-9c387fc884f6 | mp-1221954 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6MgTi2ZnO6MgTi2ZnO6
_chemical_formula_sum "Mg3 Ti6 Zn3 O18"
_cell_length_a 16.61567577
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_ang... |
SuperCellAction | 7512b416-2725-4117-a9d9-6a3a4bf2cec8 | mp-2231016 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural MgFe6O7F5
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567853... | data_image0
_chemical_formula_structural MgFe6O7F5MgFe6O7F5MgFe6O7F5MgFe6O7F5MgFe6O7F5MgFe6O7F5MgFe6O7F5MgFe6O7F5
_chemical_formula_sum "Mg8 Fe48 O56 F40"
_cell_length_a 5.23093221
_cell_length_b 10.379707540000002
_cell_length_c 35.4260628
_cell_angle_alpha 86.86399567999999
_ce... |
SuperCellAction | e31bc463-d495-4f7d-94eb-c9ca91caae28 | mp-1105260 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2
_chemical_formula_sum "Tb32 In8 Ge32 Rh8"
_cell_length_a 10.44400831
_cell_length_b 20.888016619999995
_cell_length_c 20.74746714
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.299957... |
SuperCellAction | 54dedddd-b2e3-4882-98c2-8b8c1afa4fdc | mp-1173893 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8
_chemical_formula_sum "Li32 Mn16 Co16 O64"
_cell_length_a 5.841052
_cell_length_b 6.60737649
_cell_length_c 31.57806592
_cell_angle_alpha 88.82980695
... |
SuperCellAction | 1d31c3cc-254a-4223-ab20-a457ece9a82c | mp-9563 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb6Li12Sb6Li12Sb6
_chemical_formula_sum "Li36 Sb18"
_cell_length_a 7.95140499
_cell_length_b 23.854214969999997
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000003
_space_gr... |
SuperCellAction | 989d4e89-a026-4a46-89d2-83a964dc7db7 | mp-707732 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Na4ZnP6H12O24
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
_spa... | data_image0
_chemical_formula_structural Na4ZnP6H12O24Na4ZnP6H12O24Na4ZnP6H12O24Na4ZnP6H12O24
_chemical_formula_sum "Na16 Zn4 P24 H48 O96"
_cell_length_a 14.712008
_cell_length_b 9.31164289
_cell_length_c 19.09676772
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_... |
SuperCellAction | c1fb9878-d505-49f8-9948-2de6cfff949f | mp-1403373 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural La2ZnSbO6
_chemical_formula_sum "La2 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071350... | data_image0
_chemical_formula_structural La2ZnSbO6La2ZnSbO6La2ZnSbO6La2ZnSbO6La2ZnSbO6La2ZnSbO6La2ZnSbO6La2ZnSbO6
_chemical_formula_sum "La16 Zn8 Sb8 O48"
_cell_length_a 23.10746568
_cell_length_b 5.77686642
_cell_length_c 11.553732679999998
_cell_angle_alpha 61.07135203000001
_c... |
SuperCellAction | 580c6a58-d330-45e2-987e-88a5e774bbfd | mp-1517143 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.91... | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12Ca2Nd2Eu2Sb2O12Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca6 Nd6 Eu6 Sb6 O36"
_cell_length_a 17.40939591
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.5694382800... |
SuperCellAction | c60adf0a-a960-4e51-a9a2-4ec45b49b664 | mp-752925 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li2Fe2Si2O8
_chemical_formula_sum "Li2 Fe2 Si2 O8"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spac... | data_image0
_chemical_formula_structural Li2Fe2Si2O8Li2Fe2Si2O8Li2Fe2Si2O8Li2Fe2Si2O8Li2Fe2Si2O8Li2Fe2Si2O8Li2Fe2Si2O8Li2Fe2Si2O8
_chemical_formula_sum "Li16 Fe16 Si16 O64"
_cell_length_a 9.078962
_cell_length_b 17.199884
_cell_length_c 9.078963999999997
_cell_angle_alpha 90.0000... |
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