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 | 93e94883-4c84-4cf5-bc57-aed22b67109f | mp-2232781 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2
_chemical_formula_sum "Mg6 Ti24 Pb12 O54 F12"
_cell_length_a 11.27697081
_cell_length_b 17.222260719999998
_cell_length_c 7.98888701
_cell_angle_alpha 88.156702809999... |
SuperCellAction | 9e83fe3a-2cd3-4fb2-9c27-bbc756ac7e5d | mp-31070 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural As16S18As16S18As16S18As16S18As16S18As16S18As16S18As16S18
_chemical_formula_sum "As128 S144"
_cell_length_a 37.54681704
_cell_length_b 9.93780597
_cell_length_c 20.304526760000005
_cell_angle_alpha 90.0
_cell_angle_beta 102.415989049999... |
SuperCellAction | 89f49bc7-1ead-4b77-bcea-b712b7cd4337 | mp-1246779 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12
_chemical_formula_sum "Ba80 Hf32 N96"
_cell_length_a 27.04263252
_cell_length_b 7.47593269
_cell_length_c 29.92828676
_cell_angle_alpha 89.99999939
_cell_angl... |
SuperCellAction | 006a962d-e96e-4a40-9472-718fd8de05c3 | mp-22642 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 Zr24Se12Zr24Se12Zr24Se12Zr24Se12Zr24Se12Zr24Se12Zr24Se12Zr24Se12
_chemical_formula_sum "Zr192 Se96"
_cell_length_a 7.23919638
_cell_length_b 25.41776676
_cell_length_c 31.74451114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 487e06c4-ff58-44cc-b107-b65dde6d8d96 | mp-1211929 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K8Te4Mo8P8O56K8Te4Mo8P8O56K8Te4Mo8P8O56K8Te4Mo8P8O56
_chemical_formula_sum "K32 Te16 Mo32 P32 O224"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 50.21013568
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 71640be3-c797-4763-9f2b-3947c28029d0 | mp-1223393 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... | data_image0
_chemical_formula_structural KRb2WO3F3KRb2WO3F3KRb2WO3F3
_chemical_formula_sum "K3 Rb6 W3 O9 F9"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 19.283531580000002
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 5... |
SuperCellAction | 8ec7319a-3c50-4d32-8cb0-8537f9ba179e | mp-1276118 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16Sr4Y4Co4O16Sr4Y4Co4O16Sr4Y4Co4O16Sr4Y4Co4O16Sr4Y4Co4O16
_chemical_formula_sum "Sr24 Y24 Co24 O96"
_cell_length_a 13.65324824
_cell_length_b 22.968661710000003
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_... |
SuperCellAction | 21b92733-96cc-4a8a-b735-0733c6a35ad1 | mp-2218909 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... | data_image0
_chemical_formula_structural Sr3MgMn2O7Sr3MgMn2O7Sr3MgMn2O7Sr3MgMn2O7Sr3MgMn2O7Sr3MgMn2O7Sr3MgMn2O7Sr3MgMn2O7
_chemical_formula_sum "Sr24 Mg8 Mn16 O56"
_cell_length_a 3.77905617
_cell_length_b 7.55811124
_cell_length_c 52.04262656
_cell_angle_alpha 98.35055135
_cell_a... |
SuperCellAction | cff9d641-d7fe-4219-a99c-2b658bc36c74 | mp-1043960 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28
_chemical_formula_sum "Mg32 Ti32 P64 O224"
_cell_length_a 34.524628
_cell_length_b 7.049351
_cell_length_c 18.46754356
_cell_angle_alpha 66.3587396599... |
SuperCellAction | 22a354f9-f1aa-4330-9cbb-e319b490594b | mp-22781 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16
_chemical_formula_sum "Mn64 Ge32 O128"
_cell_length_a 32.713352
_cell_length_b 16.356676
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 1... |
SuperCellAction | 601df8d7-0c80-4994-a855-18ab2a16296d | mp-608777 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... | data_image0
_chemical_formula_structural Eu2In4As4Eu2In4As4Eu2In4As4Eu2In4As4
_chemical_formula_sum "Eu8 In16 As16"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 71.68139748
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angl... |
SuperCellAction | 90d6902b-909d-41ba-88d0-8d342e84b0fa | mp-2232162 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgNb4O10MgNb4O10MgNb4O10MgNb4O10MgNb4O10MgNb4O10
_chemical_formula_sum "Mg6 Nb24 O60"
_cell_length_a 8.30773142
_cell_length_b 7.864864
_cell_length_c 19.83432228
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_ga... |
SuperCellAction | 0dc54a31-a620-4483-ac3e-3dfeff79f09f | mp-760360 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6Hf6N4O6Hf6N4O6
_chemical_formula_sum "Hf18 N12 O18"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 32.207931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M... |
SuperCellAction | 32b93706-158a-42b3-9e89-38b6a20cb831 | mp-1211110 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn8S12N8O48Mn8S12N8O48Mn8S12N8O48Mn8S12N8O48Mn8S12N8O48Mn8S12N8O48Mn8S12N8O48Mn8S12N8O48
_chemical_formula_sum "Mn64 S96 N64 O384"
_cell_length_a 10.086492
_cell_length_b 20.172984
_cell_length_c 40.345968
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | bff7d577-5bf2-4607-be66-147880a303c1 | mp-1653728 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... | data_image0
_chemical_formula_structural Li14Co10O24Li14Co10O24
_chemical_formula_sum "Li28 Co20 O48"
_cell_length_a 10.02926044
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma... |
SuperCellAction | ba8c92bd-bd95-44b6-9a3f-44d8e913a017 | mp-1189578 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12V4N4O12V4N4O12V4N4O12V4N4O12V4N4O12V4N4O12V4N4O12
_chemical_formula_sum "V32 N32 O96"
_cell_length_a 20.878528
_cell_length_b 25.049544
_cell_length_c 6.098239
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 8268baaf-6939-4bfb-a639-752b4745bde3 | mp-30447 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Sr18Cd8Bi18
_chemical_formula_sum "Sr36 Cd16 Bi36"
_cell_length_a 9.85703258
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.0000... |
SuperCellAction | c8a511e0-b66f-4c65-b9e6-62b2a26c8bba | mp-1027824 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14VCuMg14VCu
_chemical_formula_sum "Mg28 V2 Cu2"
_cell_length_a 12.51919312
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H... |
SuperCellAction | ee9e532b-e516-43be-9c7e-41ceab872950 | mp-1028163 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... | data_image0
_chemical_formula_structural Mg14AlBiMg14AlBiMg14AlBiMg14AlBi
_chemical_formula_sum "Mg56 Al4 Bi4"
_cell_length_a 25.36266504
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869... |
SuperCellAction | 0ec9cb2d-45c2-4f61-84aa-4bc5755ccbfa | mp-1105882 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... | data_image0
_chemical_formula_structural Tb4Sb6Rh7Tb4Sb6Rh7Tb4Sb6Rh7
_chemical_formula_sum "Tb12 Sb18 Rh21"
_cell_length_a 7.58102333
_cell_length_b 22.74306999
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122693
_cell_angle_beta 109.47120805
_cell_angle_gamma ... |
SuperCellAction | 9e912d4c-4ce7-47ea-bbc4-a55336849fb0 | mp-1217155 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ti4S8NTi4S8NTi4S8NTi4S8N
_chemical_formula_sum "Ti16 S32 N4"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 59.19285736
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | c5a7a30f-d2a8-410a-a6fd-c765ce5e5838 | mp-1195727 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28
_chemical_formula_sum "K48 Ca12 U12 Si48 O168"
_cell_length_a 9.39128534
_cell_length_b 18.78257068
_cell_length_c 25.03892649
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | b4ee51cd-31f3-4d95-9cd4-b7b74e556772 | mp-9107 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6Na2Zr2Cu2S6Na2Zr2Cu2S6Na2Zr2Cu2S6Na2Zr2Cu2S6Na2Zr2Cu2S6Na2Zr2Cu2S6Na2Zr2Cu2S6
_chemical_formula_sum "Na16 Zr16 Cu16 S48"
_cell_length_a 13.62386436
_cell_length_b 6.8119321799999994
_cell_length_c 39.23152
_cell_angle_alpha 90.0... |
SuperCellAction | b4d5c868-ed8f-4e2f-af78-b998ca413303 | mp-1212178 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48
_chemical_formula_sum "In24 H216 S48 O288"
_cell_length_a 5.647747
_cell_length_b 30.260196
_cell_length_c 37.471738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 160d6174-c36f-449b-9324-8dd15f18f31e | mp-17822 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24
_chemical_formula_sum "Dy64 Mo32 O192"
_cell_length_a 19.71460954
_cell_length_b 9.857304769999999
_cell_length_c 21.36455888
_cell_angle_alpha 74.85744461
_cell_angl... |
SuperCellAction | 185e3a8e-30be-40dc-a163-fc74912bc458 | mp-1181187 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural K8Mo2C8N8O16K8Mo2C8N8O16K8Mo2C8N8O16K8Mo2C8N8O16
_chemical_formula_sum "K32 Mo8 C32 N32 O64"
_cell_length_a 13.732543
_cell_length_b 27.536752
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | c186afdf-68fa-49c1-81bd-f0d648a4f645 | mp-17461 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28
_chemical_formula_sum "Na24 Ti24 P48 O168"
_cell_length_a 16.073138
_cell_length_b 7.479749
_cell_length_c 29.544965219999998
_cell_angle_alpha 68.32817444999999
_cell_angl... |
SuperCellAction | f0db9bd2-3c23-412e-8f6e-8d4a797b953b | mp-1213024 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18Er4Ge6Pt18Er4Ge6Pt18Er4Ge6Pt18
_chemical_formula_sum "Er16 Ge24 Pt72"
_cell_length_a 31.24317512
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamm... |
SuperCellAction | 7869fc5b-31e0-4c2c-9c0d-1d2730e0cb22 | mp-1376216 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16Mg4V8O16
_chemical_formula_sum "Mg8 V16 O32"
_cell_length_a 5.928768
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | 6e47b713-d312-474d-8f5d-8065d162710a | mp-1239174 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16Ti4Cr4Cu4S16Ti4Cr4Cu4S16Ti4Cr4Cu4S16
_chemical_formula_sum "Ti16 Cr16 Cu16 S64"
_cell_length_a 22.923004
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 34aa7dda-a1b3-45e7-bf7b-880969ba233e | mp-1046918 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8Ca4Ti4O8Ca4Ti4O8Ca4Ti4O8
_chemical_formula_sum "Ca16 Ti16 O32"
_cell_length_a 5.97439984
_cell_length_b 8.43779539
_cell_length_c 18.08214518
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.798... |
SuperCellAction | 99f328d9-b1d1-43eb-bdfe-0486d818f013 | mp-1179245 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20
_chemical_formula_sum "V36 H72 O120"
_cell_length_a 6.109909
_cell_length_b 26.72078103
_cell_length_c 18.144187860000002
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell... |
SuperCellAction | 05e50df4-2630-474f-bf64-7cc3767c845d | mp-1227202 | Create a supercell with the size 1×2×2. | 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 CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24CaAl4Si8O24
_chemical_formula_sum "Ca4 Al16 Si32 O96"
_cell_length_a 5.220244
_cell_length_b 18.16827888
_cell_length_c 31.50605222
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.4109452399999... |
SuperCellAction | 746d31d8-4335-4f2c-8d09-a315a63a9797 | mp-1194797 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... | data_image0
_chemical_formula_structural Na8H12Se4O22Na8H12Se4O22Na8H12Se4O22Na8H12Se4O22Na8H12Se4O22Na8H12Se4O22Na8H12Se4O22Na8H12Se4O22
_chemical_formula_sum "Na64 H96 Se32 O176"
_cell_length_a 11.16706582
_cell_length_b 11.16706582
_cell_length_c 36.59579278
_cell_angle_alpha ... |
SuperCellAction | 0e145bd6-e539-461d-b3b6-696cded104c9 | mp-755879 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... | data_image0
_chemical_formula_structural Fe8O2F14Fe8O2F14Fe8O2F14Fe8O2F14Fe8O2F14Fe8O2F14Fe8O2F14Fe8O2F14
_chemical_formula_sum "Fe64 O16 F112"
_cell_length_a 23.36446376
_cell_length_b 5.841115939999999
_cell_length_c 18.60678718
_cell_angle_alpha 87.90472414000001
_cell_angle_b... |
SuperCellAction | c35c9916-882c-40bd-96ec-ac3376b4c4fe | mp-1225642 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Eu2Al6Si3Au2Eu2Al6Si3Au2Eu2Al6Si3Au2Eu2Al6Si3Au2Eu2Al6Si3Au2Eu2Al6Si3Au2Eu2Al6Si3Au2Eu2Al6Si3Au2
_chemical_formula_sum "Eu16 Al48 Si24 Au16"
_cell_length_a 27.12172362
_cell_length_b 54.24344724000001
_cell_length_c 13.56086181
_cell_angle_al... |
SuperCellAction | f7520630-343d-4913-b6b0-9c39b22d033a | mp-1224446 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8
_chemical_formula_sum "Hf12 Ta4 Fe32"
_cell_length_a 9.88703348
_cell_length_b 9.88703446
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99... |
SuperCellAction | 23a68560-5466-42ec-8e04-2ab18c60cfaf | mp-1111469 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6Rb2AgAuCl6Rb2AgAuCl6Rb2AgAuCl6Rb2AgAuCl6Rb2AgAuCl6
_chemical_formula_sum "Rb12 Ag6 Au6 Cl36"
_cell_length_a 14.61673156
_cell_length_b 21.92509734
_cell_length_c 7.30836578
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | 6b7b22c3-6d94-4dde-8539-7f8ae5beac82 | mp-34578 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34
_chemical_formula_sum "Ba48 Y36 F204"
_cell_length_a 18.61868512
_cell_length_b 9.28939294
_cell_length_c 28.123879379999998
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_c... |
SuperCellAction | 3a2a6226-063e-4fda-b447-08649df1fa5e | mp-1224145 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44
_chemical_formula_sum "K64 Mo64 P64 O352"
_cell_length_a 10.3004
_cell_length_b 40.153416
_cell_length_c 20.12134616
_cell_angle_alpha 81.80227319
_cell_angle... |
SuperCellAction | 7ed54724-d3ff-42d8-afc5-35e516f0b2ec | mp-2715503 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na48 Sc16 Si16 Ge16 P32 O192"
_cell_length_a 30.70161338
_cell_length_b 17.8508598
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 434c7499-23c4-47bc-ae75-b55b4f8b0dea | mp-1182686 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... | data_image0
_chemical_formula_structural Fe6S6O60Fe6S6O60Fe6S6O60Fe6S6O60
_chemical_formula_sum "Fe24 S24 O240"
_cell_length_a 27.13814116
_cell_length_b 27.13814116
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angl... |
SuperCellAction | db07ad6c-1524-4bae-a5a8-eee55c184081 | mp-558595 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12
_chemical_formula_sum "Ba48 Ru24 Cl16 O96"
_cell_length_a 11.836838
_cell_length_b 11.83683988
_cell_length_c 30.095522
_cell_angle_alpha 90.0... |
SuperCellAction | e98be7d8-b3b7-4968-a492-39e2cca3556e | mp-2241183 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10MgNb3SiO10MgNb3SiO10
_chemical_formula_sum "Mg3 Nb9 Si3 O30"
_cell_length_a 5.43041626
_cell_length_b 16.808731380000005
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma... |
SuperCellAction | 2ee22dfc-2483-4304-bac3-3368d0f8208c | mp-1193000 | Create a supercell with the size 2X1X3. | 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 | a24ecd54-c768-40e6-a61c-79f952132e40 | mp-5626 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb4Te12K12Sb4Te12
_chemical_formula_sum "K24 Sb8 Te24"
_cell_length_a 10.47095485
_cell_length_b 20.9419097
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | d98bbbe2-9a41-4942-9fc7-928cf0c2062b | mp-767632 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16V4P4O16V4P4O16V4P4O16
_chemical_formula_sum "V16 P16 O64"
_cell_length_a 18.79805544
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.9... |
SuperCellAction | 8ad56912-60df-4a21-a6b2-716d3e61d2df | mp-558805 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24Na12Nd4B8O24Na12Nd4B8O24Na12Nd4B8O24
_chemical_formula_sum "Na48 Nd16 B32 O96"
_cell_length_a 35.526388
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 804fcfb9-cdc0-42bb-b755-a45c428eebf2 | mp-1212178 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48
_chemical_formula_sum "In32 H288 S64 O384"
_cell_length_a 11.295494
_cell_length_b 40.346928
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 36130dbe-b643-48c9-964d-ae0a3d86e92c | mp-1245513 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te12N8Fe16Te12N8Fe16Te12N8
_chemical_formula_sum "Fe48 Te36 N24"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 27.303150000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | ef4d711f-dc78-43ca-b794-1a0aab1a1860 | mp-771733 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O16Li3MgV8O16
_chemical_formula_sum "Li6 Mg2 V16 O32"
_cell_length_a 5.99800606
_cell_length_b 11.99601212
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_s... |
SuperCellAction | ec83ff30-a125-4a7e-898c-6a96a8248f49 | mp-557497 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60
_chemical_formula_sum "Pr32 Nb176 O480"
_cell_length_a 25.30192216
_cell_length_b 6.32548054
_cell_length_c 65.91582
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 7e4dbe0e-80c3-4917-bad1-c603da14648d | mp-1175308 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24Li14Mn10O24Li14Mn10O24Li14Mn10O24
_chemical_formula_sum "Li56 Mn40 O96"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 31.1646856
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cel... |
SuperCellAction | 1fa946e0-5b9b-40f5-8ba7-c95e74fe003f | mp-29802 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24Sc4Ni24Ge24Sc4Ni24Ge24Sc4Ni24Ge24Sc4Ni24Ge24Sc4Ni24Ge24
_chemical_formula_sum "Sc24 Ni144 Ge144"
_cell_length_a 20.4245557
_cell_length_b 30.63683355
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 721f8021-aa13-4fc3-9e73-5ec76847f87e | mp-766361 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50Nb20O50
_chemical_formula_sum "Nb40 O100"
_cell_length_a 11.51573649
_cell_length_b 15.46243044
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group... |
SuperCellAction | bdd9360b-a753-489d-ba5a-8c35f4977356 | mp-867658 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42
_chemical_formula_sum "La112 Mn104 O336"
_cell_length_a 9.68085979
_cell_length_b 19.361719580000003
_cell_length_c 38.72343816000001
_cell_angle_alpha ... |
SuperCellAction | c23f4442-20ad-497e-a63f-5e6eb3e99113 | mp-759150 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8Li4V4O4F8Li4V4O4F8Li4V4O4F8
_chemical_formula_sum "Li16 V16 O16 F32"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 21.35942232
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma ... |
SuperCellAction | 1fbef15a-0d74-4a95-8b3c-40325096c984 | mp-1931800 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28
_chemical_formula_sum "Mn104 Si16 Sb16 O224"
_cell_length_a 11.17483564
_cell_length_b 17.691012300000004
_cell_length_c 23.5075072
_cell... |
SuperCellAction | a0edae64-c445-475b-a5ef-e5eb9a1dc2c5 | mp-770874 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32
_chemical_formula_sum "Na96 Co32 P16 C64 O256"
_cell_length_a 19.73573776
_cell_length_b 39.47147552
_cell_length_c 9.86786888
_c... |
SuperCellAction | 2b36959f-e10b-48bf-8e8c-39e7e8c23d42 | mp-766445 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... | data_image0
_chemical_formula_structural Mn8Co4O16Mn8Co4O16Mn8Co4O16Mn8Co4O16Mn8Co4O16Mn8Co4O16
_chemical_formula_sum "Mn48 Co24 O96"
_cell_length_a 12.328802
_cell_length_b 18.592360199999998
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.... |
SuperCellAction | bcbcb89e-38be-4b71-9c6a-53727069628d | mp-695305 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24Na8C8S8O24F24
_chemical_formula_sum "Na16 C16 S16 O48 F48"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 22.66159536
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 11... |
SuperCellAction | 9d014f80-c7d7-4b5d-8f89-5afe7c27be17 | mp-989647 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Y4Re4N12Y4Re4N12
_chemical_formula_sum "Y8 Re8 N24"
_cell_length_a 5.3829449
_cell_length_b 11.19114786
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 9cc7f3d2-29ea-4a02-bd9a-b66099de79ae | mp-27382 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40
_chemical_formula_sum "U64 Tl64 F320"
_cell_length_a 13.7278367
_cell_length_b 32.81836224
_cell_length_c 16.5214486
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_... |
SuperCellAction | 24a7c43c-d334-4d53-83fb-b9778f0a76e0 | mp-558603 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18K4Si8O18K4Si8O18K4Si8O18K4Si8O18K4Si8O18K4Si8O18K4Si8O18
_chemical_formula_sum "K32 Si64 O144"
_cell_length_a 19.75561924
_cell_length_b 16.69284132
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68... |
SuperCellAction | f93924fd-fbdc-493a-bfb0-85eb07a6704c | mp-29075 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24
_chemical_formula_sum "Ga48 Bi80 Cl192"
_cell_length_a 24.44307302
_cell_length_b 48.88614604
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720... |
SuperCellAction | 459954b2-b619-4e24-82b1-ff3e467dace9 | mp-2228762 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... | data_image0
_chemical_formula_structural K3NaMgCr2O8K3NaMgCr2O8K3NaMgCr2O8K3NaMgCr2O8
_chemical_formula_sum "K12 Na4 Mg4 Cr8 O32"
_cell_length_a 6.05065711
_cell_length_b 12.10131324
_cell_length_c 15.40255856
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_a... |
SuperCellAction | f477005c-5fcc-4cd7-833f-219eb876bb78 | mp-1207958 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm4Zn4Sn4Tm4Zn4Sn4Tm4Zn4Sn4Tm4Zn4Sn4Tm4Zn4Sn4Tm4Zn4Sn4Tm4Zn4Sn4Tm4Zn4Sn4
_chemical_formula_sum "Tm32 Zn32 Sn32"
_cell_length_a 17.6860508
_cell_length_b 4.4215127
_cell_length_c 31.65509522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 4fab3f90-1cfe-4149-80ab-64725ef8a7a1 | mp-1206107 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 Ho4Cd2Pd4Ho4Cd2Pd4Ho4Cd2Pd4Ho4Cd2Pd4Ho4Cd2Pd4Ho4Cd2Pd4Ho4Cd2Pd4Ho4Cd2Pd4
_chemical_formula_sum "Ho32 Cd16 Pd32"
_cell_length_a 7.67014499
_cell_length_b 30.68057996
_cell_length_c 7.30787128
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | c0d5df89-f69a-41ad-b87c-ed06a573d639 | mp-28179 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24
_chemical_formula_sum "Na32 Ta32 Cl192"
_cell_length_a 13.81457312
_cell_length_b 6.46103936
_cell_length_c 76.88737436
_cell_angle_alpha 88.37225246
_cell_an... |
SuperCellAction | 9791118b-e307-41e0-a5a5-462609629ef7 | mp-1248873 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Al4Ni4O14Al4Ni4O14Al4Ni4O14Al4Ni4O14Al4Ni4O14Al4Ni4O14Al4Ni4O14Al4Ni4O14
_chemical_formula_sum "Al32 Ni32 O112"
_cell_length_a 25.9258778
_cell_length_b 6.48146945
_cell_length_c 12.962938900000001
_cell_angle_alpha 60.00000000000001
_cell... |
SuperCellAction | 15abdd99-3dfc-4642-828e-46bee38841fb | mp-1021689 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 Mg12V2W2Mg12V2W2Mg12V2W2Mg12V2W2
_chemical_formula_sum "Mg48 V8 W8"
_cell_length_a 9.47073
_cell_length_b 11.945038
_cell_length_c 10.970908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | 0a2b599e-f754-49e8-bd4b-7908e031a368 | mp-1196042 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12
_chemical_formula_sum "Na24 H216 Pt12 N72 F72"
_cell_length_a 26.555539709999998
_cell_length_b 8.85184657
_cell_length_c 24.19078818
_cell_angle_alpha... |
SuperCellAction | 41084cba-c644-4c95-b97e-f9a043e5fdcc | mp-1096432 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48Ce24Se48Ce24Se48
_chemical_formula_sum "Ce72 Se144"
_cell_length_a 16.69883571
_cell_length_b 50.096507130000006
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.4... |
SuperCellAction | 5a478f28-c8b8-4730-a74f-ee359775f9f8 | mp-3653 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12
_chemical_formula_sum "Mg8 Sb16 O48"
_cell_length_a 4.66240552
_cell_length_b 9.32481104
_cell_length_c 18.52738396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 31e351d0-a2a8-485c-b00b-a01ed134021d | mp-1220551 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18
_chemical_formula_sum "Nb32 Ag8 Bi40 O144"
_cell_length_a 51.7479908
_cell_length_b 12.9369977
_cell_length_c 11.21636718
_cell_angle_alpha 89.8300087... |
SuperCellAction | 615a80a3-b8ee-4b7a-834e-a01cf0f93d13 | mp-1246932 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24
_chemical_formula_sum "Ba224 Hf32 N192"
_cell_length_a 12.513275
_cell_length_b 14.55151
_cell_length_c 59.828332
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 10c4d62a-605b-43f6-9a23-7602bbb35496 | mp-1225659 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er4Al4Ni4Er4Al4Ni4Er4Al4Ni4Er4Al4Ni4Er4Al4Ni4Er4Al4Ni4Er4Al4Ni4Er4Al4Ni4
_chemical_formula_sum "Er32 Al32 Ni32"
_cell_length_a 5.31931795
_cell_length_b 21.2772718
_cell_length_c 16.927424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 52781145-cd45-4774-bcc9-a0dfa26161d7 | mp-1227615 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25Ce4ZrCo25Ce4ZrCo25Ce4ZrCo25
_chemical_formula_sum "Ce16 Zr4 Co100"
_cell_length_a 16.02276292
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_ga... |
SuperCellAction | 95d2e1e7-b8b4-492c-8527-d3d8646310de | mp-554918 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... | data_image0
_chemical_formula_structural BaY6Si3B6O24F2BaY6Si3B6O24F2BaY6Si3B6O24F2BaY6Si3B6O24F2BaY6Si3B6O24F2BaY6Si3B6O24F2BaY6Si3B6O24F2BaY6Si3B6O24F2
_chemical_formula_sum "Ba8 Y48 Si24 B48 O192 F16"
_cell_length_a 21.4745757
_cell_length_b 10.73728785
_cell_length_c 18.999472
_... |
SuperCellAction | 830b2d35-3c8e-4e47-823c-4a9d9b38925b | mp-17691 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12
_chemical_formula_sum "Cu96 Sb32 S96"
_cell_length_a 13.082926
_cell_length_b 8.099059
_cell_length_c 41.074576
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | 6c7c535b-a5c8-4c4e-b7fb-94b1fefedeaa | mp-621667 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4Eu6Ag4Eu6Ag4Eu6Ag4
_chemical_formula_sum "Eu24 Ag16"
_cell_length_a 17.4180424
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 49ad0f80-faa7-4ab7-a6d2-6d917200fcac | mp-1019788 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24
_chemical_formula_sum "K32 Al24 Si24 O96"
_cell_length_a 37.44072
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | ce827a7d-e70b-4246-a4f2-b4ebbde07d63 | mp-767632 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16V4P4O16V4P4O16V4P4O16V4P4O16V4P4O16
_chemical_formula_sum "V24 P24 O96"
_cell_length_a 14.09854158
_cell_length_b 17.299944479999997
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angl... |
SuperCellAction | 751e22b8-2ed3-492b-9120-29086e61c7f7 | mp-757805 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2V2P8O24Li2V2P8O24Li2V2P8O24Li2V2P8O24
_chemical_formula_sum "Li8 V8 P32 O96"
_cell_length_a 8.754209
_cell_length_b 28.073264
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | a7208844-338d-441d-a5d5-c0d352c2fdc5 | mp-765591 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4P4O16Li4Fe4P4O16
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 5.05822604
_cell_length_b 16.49398672
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_... |
SuperCellAction | d3d1238f-a8f7-436b-9cc3-e4852b5b1d50 | mp-571242 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16
_chemical_formula_sum "Rb48 Co24 Cl96"
_cell_length_a 14.77417
_cell_length_b 28.141710000000003
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | a7436405-5266-4c6b-8123-12e4f155ffb0 | mp-1202898 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... | data_image0
_chemical_formula_structural In4As8N4O28In4As8N4O28In4As8N4O28In4As8N4O28
_chemical_formula_sum "In16 As32 N16 O112"
_cell_length_a 7.972815
_cell_length_b 34.96717324
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.015418... |
SuperCellAction | df56cac9-7fa6-482b-8c99-3d66eccf671c | mp-1098369 | Create a supercell with the size 2x3x1. | 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 Mg30TiCrO32Mg30TiCrO32Mg30TiCrO32Mg30TiCrO32Mg30TiCrO32Mg30TiCrO32
_chemical_formula_sum "Mg180 Ti6 Cr6 O192"
_cell_length_a 17.192608
_cell_length_b 25.544499
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 7813f553-abc8-46b2-9e95-08e5f9a01e7e | mp-756331 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16
_chemical_formula_sum "Li12 Ti9 Co15 O48"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 27.930135540000002
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.6867815... |
SuperCellAction | 7c65eeb4-e53b-428a-afab-6fd0eaa9242c | mp-1225219 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl8SiAu4EuAl8SiAu4EuAl8SiAu4EuAl8SiAu4
_chemical_formula_sum "Eu4 Al32 Si4 Au16"
_cell_length_a 17.179284
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 4685a1b1-f8a6-44d5-83a8-8e5c10e0169f | mp-753611 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 P4Cl12O4P4Cl12O4P4Cl12O4P4Cl12O4P4Cl12O4P4Cl12O4
_chemical_formula_sum "P24 Cl72 O24"
_cell_length_a 17.907716999999998
_cell_length_b 19.00945
_cell_length_c 12.104269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 80db6a3c-e3a8-42f8-82d0-76f14e81630f | mp-567566 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12
_chemical_formula_sum "Ho42 Fe6 I72"
_cell_length_a 9.63303313
_cell_length_b 19.26606672
_cell_length_c 28.899099689999996
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_... |
SuperCellAction | 2588927c-a161-4ef2-9c66-59f16c3d85f4 | mp-28198 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... | data_image0
_chemical_formula_structural Rb6In6I24Rb6In6I24Rb6In6I24Rb6In6I24Rb6In6I24Rb6In6I24Rb6In6I24Rb6In6I24
_chemical_formula_sum "Rb48 In48 I192"
_cell_length_a 14.75622459
_cell_length_b 59.02489836
_cell_length_c 29.51244876
_cell_angle_alpha 115.16539673
_cell_angle_bet... |
SuperCellAction | 21557a60-452b-472b-b4a5-f1bbb771a480 | mp-758495 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28
_chemical_formula_sum "Li24 Co24 C24 O84"
_cell_length_a 18.740832
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 1ea3ab8a-bdab-4930-a15d-dc5a93a21c88 | mp-22703 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 Ni16Ge4B6Ni16Ge4B6Ni16Ge4B6Ni16Ge4B6Ni16Ge4B6Ni16Ge4B6Ni16Ge4B6Ni16Ge4B6
_chemical_formula_sum "Ni128 Ge32 B48"
_cell_length_a 5.8630778
_cell_length_b 24.04896772
_cell_length_c 14.5180414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | d41c1778-e8a9-408f-a859-4be81d2a329d | mp-27413 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo8P5Mo8P5
_chemical_formula_sum "Mo16 P10"
_cell_length_a 3.20104694
_cell_length_b 13.09299868
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 093c4469-7734-4182-a7e8-ced6f67f4222 | mp-11639 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Rb4Ge2S6Rb4Ge2S6Rb4Ge2S6
_chemical_formula_sum "Rb16 Ge8 S24"
_cell_length_a 6.94579339
_cell_length_b 30.42719192
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gam... |
SuperCellAction | b7b74b79-3404-48b1-a629-717a30182d16 | mp-1216004 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YThB8Rh8YThB8Rh8YThB8Rh8YThB8Rh8YThB8Rh8YThB8Rh8
_chemical_formula_sum "Y6 Th6 B48 Rh48"
_cell_length_a 16.089024
_cell_length_b 10.726016
_cell_length_c 7.55828
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | e245be93-231c-4754-83de-e58c52770da3 | mp-554501 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30Ba10Os6Cl2O30Ba10Os6Cl2O30Ba10Os6Cl2O30Ba10Os6Cl2O30Ba10Os6Cl2O30Ba10Os6Cl2O30Ba10Os6Cl2O30
_chemical_formula_sum "Ba80 Os48 Cl16 O240"
_cell_length_a 22.2309527
_cell_length_b 44.4619054
_cell_length_c 7.974835
_cell_angle_alpha... |
SuperCellAction | 9eb8ae05-5bd9-43e9-8a25-135fd8c0762f | mp-675818 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Li11TiAs5
_chemical_formula_sum "Li22 Ti2 As10"
_cell_length_a 7.42247606
_cell_length_b 14.84495212
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma ... |
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