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 |
|---|---|---|---|---|---|
AddAtomAction | 937ca4c2-bb0c-4d17-aeba-e855e38bd6f2 | mp-694554 | Add one Rf atom at the Cartesian coordinate [3.592 9.995 8.127] to the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Rf
_chemical_formula_sum "Mn6 P8 O28 Rf1"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 66b5fecc-3772-4483-9ff4-1f08d84262e8 | mp-2241417 | Add one Gd atom at the Cartesian coordinate [2.804 1.429 4.319] to the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8Gd
_chemical_formula_sum "Na2 Mg1 Mn2 O8 Gd1"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_na... |
AddAtomAction | f712d8b0-dc79-40cd-994c-e70692857110 | mp-1247837 | Add one Rg atom at the Cartesian coordinate [1.994 3.981 6.688] to the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Al16Zn8S32Rg
_chemical_formula_sum "Al16 Zn8 S32 Rg1"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | fa0fde2a-c248-4527-ba73-f8858cf899ad | mp-780727 | Add one Lv atom at the Cartesian coordinate [2.27 5.219 2.203] to the cif file. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10Lv
_chemical_formula_sum "Li4 V3 Cr2 O10 Lv1"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_sp... |
AddAtomAction | 8441efe4-1ac0-4b75-9edf-47be866d1f2b | mp-1196630 | Add one Pb atom at the Cartesian coordinate [12.476 9.783 1.982] to the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Pb
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12 Pb1"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_g... |
AddAtomAction | a1a9c6b2-d4e1-442b-a9fd-404eec14bf4d | mp-1342607 | Add one Po atom at the Cartesian coordinate [3.367 4.649 3.804] to the cif file. | data_image0
_chemical_formula_structural Mg4Mo4O12
_chemical_formula_sum "Mg4 Mo4 O12"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_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 Mg4Mo4O12Po
_chemical_formula_sum "Mg4 Mo4 O12 Po1"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | d4740e5a-067f-47f5-807f-3c6c952eff98 | mp-698063 | Add one Rf atom at the Cartesian coordinate [20.156 4.916 1.36 ] to the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28Rf
_chemical_formula_sum "Na8 P8 H8 O28 Rf1"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
... |
AddAtomAction | a05b45d6-44d0-45a6-a1ca-91132803cf22 | mp-1030158 | Add one Cf atom at the Cartesian coordinate [-0.995 2.968 33.269] to the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Cf
_chemical_formula_sum "Te4 Mo1 W3 Se4 Cf1"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_nam... |
AddAtomAction | 40ba1a59-b09b-4eec-9c8e-d673dd44d2ef | mp-1199851 | Add one Rb atom at the Cartesian coordinate [4.567 0.305 1.5 ] to the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Er4C12O32Rb
_chemical_formula_sum "Er4 C12 O32 Rb1"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 74d65b82-4d19-4a43-b3ba-b04be9cfca2b | mp-39540 | Add one Au atom at the Cartesian coordinate [6.267 0.246 0.787] to the cif file. | data_image0
_chemical_formula_structural CrSiH12O6F6
_chemical_formula_sum "Cr1 Si1 H12 O6 F6"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_space_gro... | data_image0
_chemical_formula_structural CrSiH12O6F6Au
_chemical_formula_sum "Cr1 Si1 H12 O6 F6 Au1"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_spa... |
AddAtomAction | f7e48704-e024-4606-8712-5734ad20f0d1 | mp-1095574 | Add one Hs atom at the Cartesian coordinate [0.749 1.951 5.925] to the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4Hs
_chemical_formula_sum "Ce4 Ga4 Ag4 Hs1"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | ec46057a-01c3-4fae-864e-3a69bd0ed331 | mp-1021280 | Add one Ge atom at the Cartesian coordinate [0.83 4.384 2.973] to the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2Ge
_chemical_formula_sum "Li2 Mg12 Bi2 Ge1"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 2c1af8fc-fe0b-4ebc-8046-78fe4db93749 | mp-26267 | Add one Ts atom at the Cartesian coordinate [9.399 9.223 0.883] to the cif file. | data_image0
_chemical_formula_structural Li8Cu4P16O48
_chemical_formula_sum "Li8 Cu4 P16 O48"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_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 Li8Cu4P16O48Ts
_chemical_formula_sum "Li8 Cu4 P16 O48 Ts1"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 5c2993c6-3b7d-4e4b-9ca7-512f256c9e25 | mp-1224477 | Add one Kr atom at the Cartesian coordinate [1.319 0.825 1.973] to the cif file. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6Kr
_chemical_formula_sum "H11 I1 N2 O6 Kr1"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_n... |
AddAtomAction | 3cd11dac-a760-4180-a368-19c067105374 | mp-1176707 | Add one Dy atom at the Cartesian coordinate [3.628 5.984 0.637] to the cif file. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18Dy
_chemical_formula_sum "Li6 Fe6 F18 Dy1"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_... |
AddAtomAction | 207dda25-72d0-421b-9225-65985b256ad1 | mp-29249 | Add one Xe atom at the Cartesian coordinate [3.628 1.765 4.219] to the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8Xe
_chemical_formula_sum "Ge8 As8 Se8 Xe1"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 8fee7a34-6c59-42fa-8ee0-709cb0c44110 | mp-1191092 | Add one Eu atom at the Cartesian coordinate [12.888 3.486 7.421] to the cif file. | data_image0
_chemical_formula_structural Ba4Na2Cu6S10
_chemical_formula_sum "Ba4 Na2 Cu6 S10"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.848718770000005
_sp... | data_image0
_chemical_formula_structural Ba4Na2Cu6S10Eu
_chemical_formula_sum "Ba4 Na2 Cu6 S10 Eu1"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.84871877000000... |
AddAtomAction | ff660e90-2cc8-406a-b13b-571c3f932b31 | mp-2240134 | Add one Pd atom at the Cartesian coordinate [5.586 2.392 2.53 ] to the cif file. | data_image0
_chemical_formula_structural Ba2NdMgNbO6
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5040091... | data_image0
_chemical_formula_structural Ba2NdMgNbO6Pd
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6 Pd1"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5... |
AddAtomAction | 3260e010-4c83-4d68-a40b-f7c4b137225a | mp-28535 | Add one H atom at the Cartesian coordinate [-0.578 2.947 2.094] to the cif file. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16H
_chemical_formula_sum "Ca4 Se6 O16 H1"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_g... |
AddAtomAction | b7ced48a-20bf-44c0-a035-df1b2cb262c2 | mp-755518 | Add one N atom at the Cartesian coordinate [7.827 7.081 6.705] to the cif file. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe6O7F5N
_chemical_formula_sum "Fe6 O7 F5 N1"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_H-... |
AddAtomAction | 6bc5aa39-6502-4725-95de-2f51c60793d6 | mp-558545 | Add one Lv atom at the Cartesian coordinate [5.461 0.687 4.262] to the cif file. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N12Cl12Lv
_chemical_formula_sum "C8 S4 N12 Cl12 Lv1"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | ebd0e9db-4be2-418b-b001-88d6183b6609 | mp-1035350 | Add one In atom at the Cartesian coordinate [4.76 5.592 1.217] to the cif file. | data_image0
_chemical_formula_structural Mg14CuSnO16
_chemical_formula_sum "Mg14 Cu1 Sn1 O16"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_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 Mg14CuSnO16In
_chemical_formula_sum "Mg14 Cu1 Sn1 O16 In1"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 72155204-d717-4f6e-81d5-6c40abf0a5f1 | mp-1212483 | Add one Pt atom at the Cartesian coordinate [ 0.387 7.871 13.45 ] to the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Pt
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Pt1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | 0c1a6ba6-27d8-4f74-ae88-f941cc179600 | mp-1095479 | Add one Gd atom at the Cartesian coordinate [2.541 7.183 4.792] to the cif file. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8Gd
_chemical_formula_sum "Gd5 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 8e3a1330-522f-46ef-a09f-6e5c5be945da | mp-556179 | Add one Re atom at the Cartesian coordinate [13.271 5.366 4.591] to the cif file. | data_image0
_chemical_formula_structural Pr6Si4S16Cl2
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_spac... | data_image0
_chemical_formula_structural Pr6Si4S16Cl2Re
_chemical_formula_sum "Pr6 Si4 S16 Cl2 Re1"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
... |
AddAtomAction | 58546e0a-885e-4b06-8e09-0afcf6b374f0 | mp-3276 | Add one Ba atom at the Cartesian coordinate [ 0.76 -2.354 2.177] to the cif file. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10Ba
_chemical_formula_sum "Nb8 Cr4 Si10 Ba1"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_s... |
AddAtomAction | 5c3c1883-7f49-4503-adc3-96a20c7f50d9 | mp-1194957 | Add one Be atom at the Cartesian coordinate [17.21 6.793 0.84 ] to the cif file. | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52Be
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52 Be1"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | d9d6f302-dc54-4eee-9bee-b34a7ecb9d45 | mp-818536 | Add one Lu atom at the Cartesian coordinate [4.064 1.785 2.875] to the cif file. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20Lu
_chemical_formula_sum "Ce2 Cr4 O20 Lu1"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | eec9b76d-5384-4445-8682-271235666df2 | mp-1020592 | Add one Ds atom at the Cartesian coordinate [0.471 0.498 1.158] to the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2Ds
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2 Ds1"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | f7ea0a86-182b-4b17-afd1-fe416ad9f17b | mp-754378 | Add one C atom at the Cartesian coordinate [6.722 3.185 4.202] to the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6O8C
_chemical_formula_sum "Li2 V6 O8 C1"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.7953408... |
AddAtomAction | ee4d6186-3f38-4f93-8664-641ed9d1a1a8 | mp-1031915 | Add one W atom at the Cartesian coordinate [2.799 3.513 0.314] to the cif file. | data_image0
_chemical_formula_structural YMg6CdO8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_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 YMg6CdO8W
_chemical_formula_sum "Y1 Mg6 Cd1 O8 W1"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 5cea5524-7a4f-4d40-8ffb-a494b7ffaf48 | mp-1518357 | Add one Cl atom at the Cartesian coordinate [7.968 5.519 2.91 ] to the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6Cl
_chemical_formula_sum "Eu2 Hf1 Nb1 O6 Cl1"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_spa... |
AddAtomAction | 85429df1-0afa-47e9-ae92-b23912475196 | mp-642735 | Add one Tm atom at the Cartesian coordinate [2.723 4.7 6.321] to the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Tm
_chemical_formula_sum "Rb4 H8 Pt2 Tm1"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 42957b9a-c74f-4727-9450-4a66e77cacab | mp-1033791 | Add one Rh atom at the Cartesian coordinate [8.472 3.188 3.092] to the cif file. | data_image0
_chemical_formula_structural Mg14CrCO16
_chemical_formula_sum "Mg14 Cr1 C1 O16"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_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 Mg14CrCO16Rh
_chemical_formula_sum "Mg14 Cr1 C1 O16 Rh1"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 1f61f697-5727-41fd-bec2-c0c7ab8c0c6f | mp-1221478 | Add one Cn atom at the Cartesian coordinate [8.24 7.662 1.186] to the cif file. | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_space... | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24Cn
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24 Cn1"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
... |
AddAtomAction | f1307658-25a9-4cd3-8964-d0d3569556ef | mp-1179989 | Add one Pb atom at the Cartesian coordinate [6.52 0.61 0.654] to the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Pb
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Pb1"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8... |
AddAtomAction | 0cc141fa-f073-4c3c-a074-21942282f3c0 | mp-772024 | Add one W atom at the Cartesian coordinate [ 2.828 7.349 18.806] to the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36W
_chemical_formula_sum "Ba12 La4 Br36 W1"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 4c7a93ce-3b89-4d67-b8b4-c8109e2a4b49 | mp-756284 | Add one Ru atom at the Cartesian coordinate [1.136 0.896 4.868] to the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Ru
_chemical_formula_sum "Li4 Co4 B4 O12 Ru1"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
... |
AddAtomAction | a8c2d7af-656e-4ea6-ab7c-8d819262372f | mp-1026876 | Add one Pr atom at the Cartesian coordinate [4.239 3.312 7.093] to the cif file. | data_image0
_chemical_formula_structural Mg14CdCu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14CdCuPr
_chemical_formula_sum "Mg14 Cd1 Cu1 Pr1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_... |
AddAtomAction | 054128b6-d02a-4da8-8cee-92b0c2a33969 | mp-1304002 | Add one Ti atom at the Cartesian coordinate [ 2.418 10.42 3.509] to the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Ti
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Ti1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
AddAtomAction | 46324143-3e78-4e48-b82d-ddd2dc19c96c | mp-1518832 | Add one U atom at the Cartesian coordinate [0.28 4.161 2.582] to the cif file. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4Pr4Nb4O24U
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24 U1"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | 2b3e7030-d27c-408d-96ae-c47fa871d34c | mp-1220988 | Add one C atom at the Cartesian coordinate [1.559 0.822 1.095] to the cif file. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 Na2Tl6S4C
_chemical_formula_sum "Na2 Tl6 S4 C1"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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... |
AddAtomAction | bd94df5e-25c8-4fd6-be8e-c48a131261a0 | mp-1028598 | Add one Pa atom at the Cartesian coordinate [-0.17 0.867 17.986] to the cif file. | data_image0
_chemical_formula_structural Te6W4Se2
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Te6W4Se2Pa
_chemical_formula_sum "Te6 W4 Se2 Pa1"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt ... |
AddAtomAction | c1cc2d10-c3ec-4bf7-9695-e149bae135d4 | mp-1319322 | Add one I atom at the Cartesian coordinate [0.524 0.707 2.001] to the cif file. | data_image0
_chemical_formula_structural Co6Te2O16
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_nam... | data_image0
_chemical_formula_structural Co6Te2O16I
_chemical_formula_sum "Co6 Te2 O16 I1"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group... |
AddAtomAction | 8cc85766-a51a-46f9-9b49-53a704b7424e | mp-531566 | Add one Ir atom at the Cartesian coordinate [ 0.908 0.962 13.247] to the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48Ir
_chemical_formula_sum "La16 Mn14 O48 Ir1"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
... |
AddAtomAction | 64349b3c-ea8c-494a-be16-47ccb13aaf5a | mp-1211316 | Add one Ni atom at the Cartesian coordinate [5.509 0.109 0.41 ] to the cif file. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12Ni
_chemical_formula_sum "K2 V4 Ag2 O12 Ni1"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_gr... |
AddAtomAction | 667dddd4-7238-4b39-9052-9938cbeb79a3 | mp-2229628 | Add one Ho atom at the Cartesian coordinate [3.342 1.086 3.395] to the cif file. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11Ho
_chemical_formula_sum "Mg1 Co4 O1 F11 Ho1"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_gro... |
AddAtomAction | d6950430-6aef-4cee-ab6e-065ec614ed78 | mp-19484 | Add one Cu atom at the Cartesian coordinate [0.436 4.6 8.291] to the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28Cu
_chemical_formula_sum "Ba4 Ca4 V8 O28 Cu1"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | a0326aff-ebfb-4dc6-8727-556e58261e88 | mp-1407867 | Add one Sc atom at the Cartesian coordinate [4.326 2.657 0.476] to the cif file. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8Sc
_chemical_formula_sum "Y2 Sn4 O8 Sc1"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.3834... |
AddAtomAction | 754ab70e-c904-4c80-8019-d828f0dd5579 | mp-1193265 | Add one S atom at the Cartesian coordinate [0.705 2.343 6.355] to the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12S
_chemical_formula_sum "Na12 Sb4 Se12 S1"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 06d3b400-cced-4147-b92f-585b35984847 | mp-1046251 | Add one B atom at the Cartesian coordinate [2.81 1.402 6.422] to the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16B
_chemical_formula_sum "Ta4 Zn4 W2 O16 B1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_spa... |
AddAtomAction | 50e152e0-e474-41b8-9f55-f477a1814aa8 | mp-849781 | Add one K atom at the Cartesian coordinate [0.301 1.149 0.59 ] to the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Co4Si4O16K
_chemical_formula_sum "Li4 Co4 Si4 O16 K1"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 6bdca9f4-cd20-4871-94ea-9fb69cb50a6f | mp-867658 | Add one Ds atom at the Cartesian coordinate [6.776 0.379 4.063] to the cif file. | 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 La14Mn13O42Ds
_chemical_formula_sum "La14 Mn13 O42 Ds1"
_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 100.2... |
AddAtomAction | 78d3f035-5e74-41c6-ba3c-b40cbb8159d5 | mp-1368020 | Add one Ir atom at the Cartesian coordinate [4.735 5.378 6.799] to the cif file. | data_image0
_chemical_formula_structural Ca4Cu2W2O12
_chemical_formula_sum "Ca4 Cu2 W2 O12"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ca4Cu2W2O12Ir
_chemical_formula_sum "Ca4 Cu2 W2 O12 Ir1"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | d7748371-9e61-495f-9b31-73ca6208e79f | mp-1176929 | Add one Na atom at the Cartesian coordinate [ 7.986 8.174 10.647] to the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Na
_chemical_formula_sum "Li12 V6 P16 O58 Na1"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227... |
AddAtomAction | fe08b095-6447-4126-8f41-41ef8a70d383 | mp-28301 | Add one Nh atom at the Cartesian coordinate [ 6.022 11.488 1.223] to the cif file. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br32Nh
_chemical_formula_sum "Os8 Br32 Nh1"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | e6cc688f-a7f6-4e02-b7db-949a59a9a41e | mp-19440 | Add one Hf atom at the Cartesian coordinate [2.204 6.848 1.447] to the cif file. | data_image0
_chemical_formula_structural Li4V4O12
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_group... | data_image0
_chemical_formula_structural Li4V4O12Hf
_chemical_formula_sum "Li4 V4 O12 Hf1"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space... |
AddAtomAction | 7a517ed4-51e1-49f6-b2ff-30a435aebf72 | mp-30925 | Add one Tm atom at the Cartesian coordinate [-0.4 2.739 1.901] to the cif file. | data_image0
_chemical_formula_structural LaN3O6
_chemical_formula_sum "La1 N3 O6"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_s... | data_image0
_chemical_formula_structural LaN3O6Tm
_chemical_formula_sum "La1 N3 O6 Tm1"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.826282400000... |
AddAtomAction | f8f1a807-0878-4a3f-8a3c-e8f6d77062e1 | mp-560603 | Add one Ge atom at the Cartesian coordinate [6.555 3.094 0.356] to the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24Ge
_chemical_formula_sum "Na4 Mg2 Si10 O24 Ge1"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | c7b8a728-df29-4c2e-9c37-dc4b29d04fec | mp-767219 | Add one Cf atom at the Cartesian coordinate [ 0.862 1.39 14.575] to the cif file. | data_image0
_chemical_formula_structural Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_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 Li8Ti8Mn2Co8O36Cf
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36 Cf1"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | bd74a6ce-9e54-42d2-b10b-3542632d9eed | mp-1112589 | Add one Cs atom at the Cartesian coordinate [10.762 6.73 4.04 ] to the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6Cs
_chemical_formula_sum "Cs3 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
AddAtomAction | 288f321e-976d-4382-936f-572be6e314d8 | mp-1204890 | Add one At atom at the Cartesian coordinate [7.082 4.343 1.578] to the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36At
_chemical_formula_sum "Zr4 N8 O36 At1"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space... |
AddAtomAction | d8f4af02-f609-492a-85ff-e1057e03281c | mp-1111032 | Add one At atom at the Cartesian coordinate [1.65 2.263 0.426] to the cif file. | data_image0
_chemical_formula_structural Rb2HgIrF6
_chemical_formula_sum "Rb2 Hg1 Ir1 F6"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Rb2HgIrF6At
_chemical_formula_sum "Rb2 Hg1 Ir1 F6 At1"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
AddAtomAction | 93daa5e5-2340-4d84-a0df-a8c17367d855 | mp-1028424 | Add one Sn atom at the Cartesian coordinate [2.515 5.228 7.591] to the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14CoSn
_chemical_formula_sum "Cs1 Mg14 Co1 Sn1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_al... |
AddAtomAction | 6d3c99ef-c35b-489f-9689-71d1ab78d822 | mp-2218964 | Add one Sn atom at the Cartesian coordinate [7.942 4.528 4.646] to the cif file. | data_image0
_chemical_formula_structural MgMn3TeO8
_chemical_formula_sum "Mg1 Mn3 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... | data_image0
_chemical_formula_structural MgMn3TeO8Sn
_chemical_formula_sum "Mg1 Mn3 Te1 O8 Sn1"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086... |
AddAtomAction | 44d17030-03f0-481c-8bf3-2197669e1b60 | mp-1173973 | Add one Pm atom at the Cartesian coordinate [6.029 3.865 3.134] to the cif file. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8Pm
_chemical_formula_sum "Li5 Mn2 Co1 O8 Pm1"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431... |
AddAtomAction | 4b7e0104-8d01-4117-998c-dce54594b369 | mp-850998 | Add one Bi atom at the Cartesian coordinate [-0.29 4.039 1.144] to the cif file. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18Bi
_chemical_formula_sum "Li4 Mn6 B6 O18 Bi1"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999... |
AddAtomAction | 19cbb55e-613c-4b0d-83b0-d26634274fda | mp-1204232 | Add one C atom at the Cartesian coordinate [0.795 6.882 1.148] to the cif file. | data_image0
_chemical_formula_structural Na9U3Si4O20F2
_chemical_formula_sum "Na9 U3 Si4 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.99330... | data_image0
_chemical_formula_structural Na9U3Si4O20F2C
_chemical_formula_sum "Na9 U3 Si4 O20 F2 C1"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.9... |
AddAtomAction | 4a33b32e-4d08-478d-8a17-110935c593e1 | mp-1196102 | Add one Ca atom at the Cartesian coordinate [-1.094 4.052 2.166] to the cif file. | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_group_na... | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20Ca
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20 Ca1"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_gr... |
AddAtomAction | 40f3d4d8-2db8-469d-ad35-32673e8472a2 | mp-29075 | Add one H atom at the Cartesian coordinate [7.037 3.264 2.674] to the cif file. | 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 Ga6Bi10Cl24H
_chemical_formula_sum "Ga6 Bi10 Cl24 H1"
_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
_s... |
AddAtomAction | b978748a-89b9-47ef-9e11-9b9ade295320 | mp-30437 | Add one Br atom at the Cartesian coordinate [4.413 1.224 7.437] to the cif file. | data_image0
_chemical_formula_structural Ca4Sn4Pd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_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 Ca4Sn4Pd4Br
_chemical_formula_sum "Ca4 Sn4 Pd4 Br1"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | c6a45683-05bf-48d2-9bf1-5e5c2c0fb925 | mp-1214585 | Add one Pa atom at the Cartesian coordinate [1.186 3.433 0.59 ] to the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2PrCu3O6Pa
_chemical_formula_sum "Ba2 Pr1 Cu3 O6 Pa1"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 6f69da1a-84b2-46cc-95fd-35fbd2f3e595 | mp-1026451 | Add one Cu atom at the Cartesian coordinate [0.063 2.877 2.395] to the cif file. | data_image0
_chemical_formula_structural Mg14BW
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14BWCu
_chemical_formula_sum "Mg14 B1 W1 Cu1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_... |
AddAtomAction | 3903feb1-b343-4e58-8e1d-4ebf52c9f37b | mp-1522401 | Add one P atom at the Cartesian coordinate [6.654 3.876 2.678] to the cif file. | data_image0
_chemical_formula_structural Sr2GdWO6
_chemical_formula_sum "Sr2 Gd1 W1 O6"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sr2GdWO6P
_chemical_formula_sum "Sr2 Gd1 W1 O6 P1"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
AddAtomAction | 08fe8e91-382f-492d-a5cf-810c943cdbc1 | mp-554835 | Add one Sm atom at the Cartesian coordinate [6.226 1.685 3.866] to the cif file. | data_image0
_chemical_formula_structural K4Zr4V4F28
_chemical_formula_sum "K4 Zr4 V4 F28"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_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 K4Zr4V4F28Sm
_chemical_formula_sum "K4 Zr4 V4 F28 Sm1"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 7cd975e5-2e53-44fd-9c0f-04cc30e222aa | mp-1220551 | Add one Sc atom at the Cartesian coordinate [9.526 0.336 0.719] to the cif file. | 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 Nb4AgBi5O18Sc
_chemical_formula_sum "Nb4 Ag1 Bi5 O18 Sc1"
_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... |
AddAtomAction | 2374c60c-6446-4b6a-b421-404d66fcdabe | mp-11465 | Add one No atom at the Cartesian coordinate [0.128 0.829 5.424] to the cif file. | data_image0
_chemical_formula_structural Mg10Hg6
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg10Hg6No
_chemical_formula_sum "Mg10 Hg6 No1"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_al... |
AddAtomAction | 381c3752-9151-44f9-afd6-72a0fc78b239 | mp-1246013 | Add one Be atom at the Cartesian coordinate [1.925 2.497 1.603] to the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6Be
_chemical_formula_sum "V2 C3 N6 Be1"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M... |
AddAtomAction | c0d6fa33-a14d-4b67-9cf8-b4e00fd65d07 | mp-560635 | Add one Ar atom at the Cartesian coordinate [ 3.588 8.773 11.669] to the cif file. | data_image0
_chemical_formula_structural Cs8Mo4S16
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_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 Cs8Mo4S16Ar
_chemical_formula_sum "Cs8 Mo4 S16 Ar1"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 505513d2-7dca-43b2-ba8e-237fd3a97da8 | mp-697850 | Add one Lv atom at the Cartesian coordinate [8.076 2.436 9.003] to the cif file. | data_image0
_chemical_formula_structural Li8Cr4P16O48
_chemical_formula_sum "Li8 Cr4 P16 O48"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Cr4P16O48Lv
_chemical_formula_sum "Li8 Cr4 P16 O48 Lv1"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | f3f2df91-a3e1-4820-883d-ff69c2257960 | mp-756311 | Add one Fr atom at the Cartesian coordinate [1.79 5.555 0.753] to the cif file. | data_image0
_chemical_formula_structural Li4Fe4Sn4O16
_chemical_formula_sum "Li4 Fe4 Sn4 O16"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4Sn4O16Fr
_chemical_formula_sum "Li4 Fe4 Sn4 O16 Fr1"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_... |
AddAtomAction | e4aa5065-ea5b-4c4e-a3b6-f6cd67eefd28 | mp-1103771 | Add one Ne atom at the Cartesian coordinate [6.66 9.105 5.424] to the cif file. | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019055999... | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16Ne
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16 Ne1"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019... |
AddAtomAction | 5e0bb4bf-5b84-4b98-9f0d-3097bffac91b | mp-753244 | Add one Rn atom at the Cartesian coordinate [0.101 3.875 5.692] to the cif file. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Rn
_chemical_formula_sum "Li2 Mn4 F18 Rn1"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space... |
AddAtomAction | d0e33a83-9ee7-4e3d-b3d7-1d932b795e38 | mp-1666930 | Add one Db atom at the Cartesian coordinate [6.201 5.201 0.513] to the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20Db
_chemical_formula_sum "Li10 Cr4 Co6 O20 Db1"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma... |
AddAtomAction | c3b51616-9d75-4126-88ae-d0d97ca8460b | mp-1228395 | Add one Es atom at the Cartesian coordinate [7.988 8.604 9.496] to the cif file. | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.28461105
... | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20Es
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20 Es1"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.284... |
AddAtomAction | 5bca0f8f-7186-466a-9653-024a61903c35 | mp-1247447 | Add one U atom at the Cartesian coordinate [7.18 1.754 0.283] to the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8U
_chemical_formula_sum "Mg2 Sc3 Mn1 S8 U1"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_sp... |
AddAtomAction | d7bfc327-1da3-4dcc-a93a-ada6f5ce6fcd | mp-1176871 | Add one Cr atom at the Cartesian coordinate [7.231 3.163 9.876] to the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58Cr
_chemical_formula_sum "Li14 V6 P16 O58 Cr1"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.949112869... |
AddAtomAction | 5946ca72-8807-488d-89bd-0126f49dedf9 | mp-572465 | Add one Cs atom at the Cartesian coordinate [ 4.774 4.829 11.994] to the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Cs
_chemical_formula_sum "Cr4 Cu4 P8 S24 Cs1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 3d6cb7ea-02c0-4e75-9b20-ab7de6daa33e | mp-1233509 | Add one Re atom at the Cartesian coordinate [4.904 8.281 2.024] to the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12Re
_chemical_formula_sum "Ca1 Sm4 Tm4 O12 Re1"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | f31a9b69-7dab-4d70-abeb-aa1fa192bd1e | mp-1209044 | Add one Tb atom at the Cartesian coordinate [0.441 0.271 5.69 ] to the cif file. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12Tb
_chemical_formula_sum "Sc20 Sb12 Tb1"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 26e6b63b-6590-4d33-9e2f-eadded9ce472 | mp-13602 | Add one Ag atom at the Cartesian coordinate [7.508 7.019 7.084] to the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32Ag
_chemical_formula_sum "Cd12 As8 O32 Ag1"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | f541bcae-23fc-4a10-b79f-7043f3a298fa | mp-1076627 | Add one Pr atom at the Cartesian coordinate [2.655 1.28 2.676] to the cif file. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20Pr
_chemical_formula_sum "Sr8 Ti4 Mn4 O20 Pr1"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_... |
AddAtomAction | d0e6053b-8a05-4302-8629-c69291f32181 | mp-1173893 | Add one Ni atom at the Cartesian coordinate [1.565 5.897 2.604] to the cif file. | 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 Li4Mn2Co2O8Ni
_chemical_formula_sum "Li4 Mn2 Co2 O8 Ni1"
_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_g... |
AddAtomAction | f5f845e1-ce9b-420f-97e4-6162c400cb1a | mp-559163 | Add one Rb atom at the Cartesian coordinate [7.086 6.898 2.105] to the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28Rb
_chemical_formula_sum "K4 Fe4 As8 O28 Rb1"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_spa... |
AddAtomAction | 6eaa8499-9152-4401-91ac-8fe2b5269699 | mp-1233561 | Add one Mc atom at the Cartesian coordinate [6.107 1.754 0.145] to the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28Mc
_chemical_formula_sum "Mg1 Co4 P8 O28 Mc1"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma ... |
AddAtomAction | 74c5aa09-88db-48f0-a062-cf4ec0663b6d | mp-27309 | Add one Cr atom at the Cartesian coordinate [2.114 7.241 0.147] to the cif file. | data_image0
_chemical_formula_structural V8F40
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V8F40Cr
_chemical_formula_sum "V8 F40 Cr1"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_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... |
AddAtomAction | dd6ffa93-79e4-4186-a275-d8cdd0902474 | mp-690556 | Add one Zr atom at the Cartesian coordinate [2.07 1.506 1.121] to the cif file. | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12Zr
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12 Zr1"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
AddAtomAction | 93f137c9-7d58-4b84-9dcf-1a94904b756f | mp-1029550 | Add one Rh atom at the Cartesian coordinate [0.964 4.777 5.011] to the cif file. | data_image0
_chemical_formula_structural Ca8Cr4N12
_chemical_formula_sum "Ca8 Cr4 N12"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca8Cr4N12Rh
_chemical_formula_sum "Ca8 Cr4 N12 Rh1"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_al... |
AddAtomAction | 0d02a793-2ed9-4845-9414-5d441030ec12 | mp-1040209 | Add one Tl atom at the Cartesian coordinate [2.478 5.913 4.943] to the cif file. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_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 KMg30GaO32Tl
_chemical_formula_sum "K1 Mg30 Ga1 O32 Tl1"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 00041c5a-f11d-4222-823d-ffc741304ace | mp-1228355 | Add one Rg atom at the Cartesian coordinate [1.79 0.788 5.065] to the cif file. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4Rg
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4 Rg1"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
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