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 | 3da7057e-c9f9-4466-ad9d-92234f7f8998 | mp-1185716 | Add one Se atom at the Cartesian coordinate [6.326 1.761 1.513] to the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12VSe
_chemical_formula_sum "Mg16 Al12 V1 Se1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999... |
AddAtomAction | 3bd3b40c-52c6-470d-8d51-eb53e00a33a3 | mp-1212246 | Add one Cr atom at the Cartesian coordinate [0.929 7.881 0.653] to the cif file. | data_image0
_chemical_formula_structural Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_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 Ho10In8Pt4Cr
_chemical_formula_sum "Ho10 In8 Pt4 Cr1"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 438624c1-0309-42bd-895c-845ac72a16f6 | mp-1567262 | Add one Xe atom at the Cartesian coordinate [2.951 1.875 4.604] to the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Xe
_chemical_formula_sum "Li4 Mn4 Sb2 O12 Xe1"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835... |
AddAtomAction | 17ab814f-0441-44cb-8384-26fe58cbb8ec | mp-26157 | Add one At atom at the Cartesian coordinate [ 0.818 12.331 8.516] to the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48At
_chemical_formula_sum "Li4 Sb4 P16 O48 At1"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 289d0169-5659-405b-9896-dd3eb1fec164 | mp-8876 | Add one Po atom at the Cartesian coordinate [4.574 3.53 2.749] to the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12Po
_chemical_formula_sum "Ca4 Al6 S1 O12 Po1"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
AddAtomAction | 1d9c4ab9-0801-4f24-a83f-6e54788ac058 | mp-1276479 | Add one Tl atom at the Cartesian coordinate [-0.549 2.779 3.858] to the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12Tl
_chemical_formula_sum "Na2 Ni10 O12 Tl1"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.342377540000... |
AddAtomAction | d9a9f65a-8a01-43df-8a85-91632799d7d3 | mp-23662 | Add one H atom at the Cartesian coordinate [1.472 7.976 7.075] to the cif file. | data_image0
_chemical_formula_structural Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 Li8B8H32O32H
_chemical_formula_sum "Li8 B8 H33 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 | 1c58108b-c94b-4bb3-b1a4-d50344d98448 | mp-29127 | Add one Lr atom at the Cartesian coordinate [4.607 3.452 2.663] to the cif file. | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... | data_image0
_chemical_formula_structural Bi2Te4Br8Lr
_chemical_formula_sum "Bi2 Te4 Br8 Lr1"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_... |
AddAtomAction | 7cd21da4-2dbf-417b-b757-f7391c8f3953 | mp-1219592 | Add one Cl atom at the Cartesian coordinate [1.349 3.218 9.23 ] to the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sb8Cl2O11Cl
_chemical_formula_sum "Sb8 Cl3 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H... |
AddAtomAction | 320821bf-1863-4c2d-aa21-cf73e6e38022 | mp-627632 | Add one Cd atom at the Cartesian coordinate [ 3.733 8.874 14.149] to the cif file. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36Cd
_chemical_formula_sum "Si16 H8 O36 Cd1"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001... |
AddAtomAction | 1e5f178c-b1f1-4b6b-a00f-596f2486a012 | mp-776484 | Add one Sn atom at the Cartesian coordinate [ 5.11 4.725 12.763] to the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58Sn
_chemical_formula_sum "Li12 Sn7 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_spa... |
AddAtomAction | bf850748-1ca4-4a3f-bb43-526d31025e7c | mp-1191019 | Add one Cd atom at the Cartesian coordinate [-0.224 6.821 2.095] to the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7Cd
_chemical_formula_sum "Er2 Mn12 P7 Cd1"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt ... |
AddAtomAction | 5374656e-1250-44d3-b1b9-7c6f9657fcac | mp-1172905 | Add one Ar atom at the Cartesian coordinate [-1.109 3.462 3.161] to the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Ar
_chemical_formula_sum "Ag3 Bi3 S6 Ar1"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt ... |
AddAtomAction | 22fd444a-ed77-4b61-87db-d02c90c82c60 | mp-636519 | Add one Ne atom at the Cartesian coordinate [2.725 4.861 0.341] to the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Ne
_chemical_formula_sum "Ni2 Rh4 O8 Ne1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group... |
AddAtomAction | 62bb2fc4-6d07-4da2-b2ec-3ce834749f13 | mp-3606 | Add one Ni atom at the Cartesian coordinate [0.63 0.311 4.743] to the cif file. | data_image0
_chemical_formula_structural Mn4Si4N8
_chemical_formula_sum "Mn4 Si4 N8"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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 Mn4Si4N8Ni
_chemical_formula_sum "Mn4 Si4 N8 Ni1"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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 | 8ffbcdaf-674f-4be2-a756-68bd41e932e9 | mp-561286 | Add one Md atom at the Cartesian coordinate [-0.403 0.989 61.319] to the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20Md
_chemical_formula_sum "Zn20 S20 Md1"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_na... |
AddAtomAction | e250e36a-7c0a-4689-98da-9bfafa72e2af | mp-861612 | Add one Kr atom at the Cartesian coordinate [0.641 4.593 5.815] to the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16Kr
_chemical_formula_sum "Cr2 Fe2 P4 O16 Kr1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | ade46812-f78e-40d4-b43c-33b0c83552f3 | mp-753290 | Add one Rn atom at the Cartesian coordinate [0.042 5.12 0.3 ] to the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10Rn
_chemical_formula_sum "Fe6 O2 F10 Rn1"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | f9f06f7b-cc98-4060-8139-1f95c0a31667 | mp-1521801 | Add one Ni atom at the Cartesian coordinate [6.169 2.319 1.003] to the cif file. | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural CaPrZrFeO6Ni
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6 Ni1"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma... |
AddAtomAction | 9d95f961-0ab2-4188-9371-8cd63beba3d5 | mp-1110828 | Add one Dy atom at the Cartesian coordinate [10.351 5.717 2.456] to the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6Dy
_chemical_formula_sum "K2 Na1 Ta1 F6 Dy1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999... |
AddAtomAction | 5e67f730-c5ea-4113-b126-2c37d62477e5 | mp-1193266 | Add one Rf atom at the Cartesian coordinate [8.471 3.319 6.914] to the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4Rf
_chemical_formula_sum "Al2 H16 C6 N2 Cl4 Rf1"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843... |
AddAtomAction | 6dd4acb5-9701-4080-95c4-326b31f41a5d | mp-1181370 | Add one Bh atom at the Cartesian coordinate [20.039 6.502 2.081] to the cif file. | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... | data_image0
_chemical_formula_structural K3LuB2P2O14Bh
_chemical_formula_sum "K3 Lu1 B2 P2 O14 Bh1"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gam... |
AddAtomAction | afffaf7e-cdac-49db-ad5d-b6976cb51474 | mp-674329 | Add one Pb atom at the Cartesian coordinate [1.078 0.433 2.065] to the cif file. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8Pb
_chemical_formula_sum "La4 Cd2 Te8 Pb1"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_sp... |
AddAtomAction | 2a743d73-8458-4d70-9c3d-0612e0f85b97 | mp-1196042 | Add one Mt atom at the Cartesian coordinate [1.524 0.502 0.566] to the cif file. | 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 Na4H36Pt2N12F12Mt
_chemical_formula_sum "Na4 H36 Pt2 N12 F12 Mt1"
_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 118.24613... |
AddAtomAction | bd0409c3-3636-4c32-88df-d89a384a2ca3 | mp-1174239 | Add one Nd atom at the Cartesian coordinate [3.611 3.522 8.621] to the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14Nd
_chemical_formula_sum "Li8 Co6 O14 Nd1"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_n... |
AddAtomAction | 7542adf7-2c68-445c-9463-ddd456bd6631 | mp-772833 | Add one Sg atom at the Cartesian coordinate [2.675 3.237 3.801] to the cif file. | data_image0
_chemical_formula_structural Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 Y8Hf4O20Sg
_chemical_formula_sum "Y8 Hf4 O20 Sg1"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 | b39d64c6-7e36-4f4f-b06e-4e975318ab06 | mp-600078 | Add one Fl atom at the Cartesian coordinate [8.875 0.989 0.935] to the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Fl
_chemical_formula_sum "Si18 O36 Fl1"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
... |
AddAtomAction | 98a53ae5-ebfa-4a43-9061-2a91e8bb2b4c | mp-1412166 | Add one Os atom at the Cartesian coordinate [5.754 3.819 2.319] to the cif file. | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... | data_image0
_chemical_formula_structural Li2CoNi3O8Os
_chemical_formula_sum "Li2 Co1 Ni3 O8 Os1"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61... |
AddAtomAction | d2fdc97c-bf5b-40f3-86ab-5d056cbb1b35 | mp-1033806 | Add one Mo atom at the Cartesian coordinate [0.182 5.939 3.206] to the cif file. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16Mo
_chemical_formula_sum "Mg14 Nb1 C1 O16 Mo1"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 218f5721-a489-4338-abb3-347ff3397be4 | mp-530449 | Add one No atom at the Cartesian coordinate [8.475 3.874 0.785] to the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56No
_chemical_formula_sum "Ca21 As14 O56 No1"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_g... |
AddAtomAction | d5329d30-8f1a-4941-b16d-a219eca82a9c | mp-1105910 | Add one K atom at the Cartesian coordinate [6.527 1.27 6.419] to the cif file. | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... | data_image0
_chemical_formula_structural Pu2Zn17K
_chemical_formula_sum "Pu2 Zn17 K1"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_spa... |
AddAtomAction | bee5539b-7928-423f-bb88-4f26d2a3c3cd | mp-2230615 | Add one Po atom at the Cartesian coordinate [4.219 1.941 3.149] to the cif file. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12Po
_chemical_formula_sum "Mg1 Co5 Sn1 O12 Po1"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
... |
AddAtomAction | d8464d8b-bbf0-4e0b-a3a1-3af72f07f386 | mp-1033806 | Add one Mc atom at the Cartesian coordinate [2.469 5.164 1.938] to the cif file. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16Mc
_chemical_formula_sum "Mg14 Nb1 C1 O16 Mc1"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | e5956990-a204-4557-ba49-51297550b374 | mp-1647971 | Add one At atom at the Cartesian coordinate [2.268 2.041 2.104] to the cif file. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28At
_chemical_formula_sum "Li2 V2 P8 H8 O28 At1"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_spa... |
AddAtomAction | 6cdde7bb-34f3-4c22-8afa-621857457c47 | mp-1177033 | Add one Mc atom at the Cartesian coordinate [0.355 0.338 2.426] to the cif file. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48Mc
_chemical_formula_sum "Li12 Mn6 V2 P12 O48 Mc1"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
... |
AddAtomAction | 2c48590d-656a-45a0-b6aa-cb21ca0f024b | mp-1218545 | Add one Mg atom at the Cartesian coordinate [-3.392 4.684 0.091] to the cif file. | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... | data_image0
_chemical_formula_structural Sr4V2As4O18Mg
_chemical_formula_sum "Sr4 V2 As4 O18 Mg1"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_... |
AddAtomAction | 44150342-153f-4b65-90e6-4e966b039f9b | mp-1099923 | Add one Tb atom at the Cartesian coordinate [2.392 1.224 5.728] to the cif file. | data_image0
_chemical_formula_structural La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_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 La7SmMn8O24Tb
_chemical_formula_sum "La7 Sm1 Mn8 O24 Tb1"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 8aebcc9c-397e-4cce-bc3f-9cdd9774d0c2 | mp-686371 | Add one Og atom at the Cartesian coordinate [ 3.592 2.497 30.105] to the cif file. | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60Og
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60 Og1"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89... |
AddAtomAction | 68e16f34-7e7b-4338-bd77-29be2f929015 | mp-2526683 | Add one Cu atom at the Cartesian coordinate [4.893 3.601 0.44 ] to the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21Cu
_chemical_formula_sum "W7 O21 Cu1"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
AddAtomAction | 5154db0f-bc55-4927-91b9-4623ae71a238 | mp-557062 | Add one Zr atom at the Cartesian coordinate [ 0.084 1.817 49.156] to the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn20S20Zr
_chemical_formula_sum "Zn20 S20 Zr1"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "... |
AddAtomAction | 371f9a68-5a7c-4def-860b-7a102c5f8084 | mp-1175687 | Add one Mo atom at the Cartesian coordinate [1.792 0.88 5.125] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Mo
_chemical_formula_sum "Li9 Mn2 Co5 O16 Mo1"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047... |
AddAtomAction | 8d8fa1fe-7454-47d8-9d1d-efa29b77ef00 | mp-2218162 | Add one Er atom at the Cartesian coordinate [ 9.475 3.018 14.25 ] to the cif file. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7Er
_chemical_formula_sum "Mg1 Nb1 Bi3 O7 Er1"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 6... |
AddAtomAction | f5b3479d-1fd5-4332-b525-8209d8e548d9 | mp-782632 | Add one Db atom at the Cartesian coordinate [4.503 5.772 9.495] to the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64Db
_chemical_formula_sum "Li8 Ni8 S16 O64 Db1"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | 2558f73c-99dd-404b-b5ee-d8fb5f08e244 | mp-1046973 | Add one W atom at the Cartesian coordinate [8.292 4.583 1.342] to the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16W
_chemical_formula_sum "Nb4 Zn4 Ni2 O16 W1"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_... |
AddAtomAction | bb91e62f-ad30-4a5c-8c3d-ac3f23d9a54c | mp-31279 | Add one Lv atom at the Cartesian coordinate [2.436 7.222 9.439] to the cif file. | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Rb8P42I2Lv
_chemical_formula_sum "Rb8 P42 I2 Lv1"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_... |
AddAtomAction | 3211252a-72d8-449c-9a90-0995a86d65d0 | mp-1516887 | Add one Ce atom at the Cartesian coordinate [3.389 3.192 1.621] to the cif file. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6Ce
_chemical_formula_sum "Eu2 Ni1 W1 O6 Ce1"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
AddAtomAction | 7cbbdd7e-d0b0-4c61-8398-28bf07f36510 | mp-1208858 | Add one Ru atom at the Cartesian coordinate [4.52 1.877 2.99 ] to the cif file. | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12Ru
_chemical_formula_sum "Sr4 Dy2 Bi2 O12 Ru1"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | b03c2b39-0aea-4322-a879-db2518815e58 | mp-780241 | Add one Na atom at the Cartesian coordinate [11.432 11.709 4.492] to the cif file. | data_image0
_chemical_formula_structural Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_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 Na40Gd8O32Na
_chemical_formula_sum "Na41 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 7525c021-9216-4e4d-9b12-53bed86fa3a3 | mp-1213837 | Add one Cd atom at the Cartesian coordinate [0.364 3.094 6.336] to the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14Cd
_chemical_formula_sum "Ce2 Hf2 F14 Cd1"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | aaa31568-1877-4234-99ee-c80faba4aeb2 | mp-1189474 | Add one Ac atom at the Cartesian coordinate [3.74 5.005 3.747] to the cif file. | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... | data_image0
_chemical_formula_structural Y14Rh6Ac
_chemical_formula_sum "Y14 Rh6 Ac1"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_... |
AddAtomAction | 97dad262-e89c-4191-862b-62eb76752173 | mp-1196849 | Add one Ar atom at the Cartesian coordinate [4.039 5.595 5.11 ] to the cif file. | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6W20C6Ar
_chemical_formula_sum "Fe6 W20 C6 Ar1"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_a... |
AddAtomAction | 49107e5c-ec73-48a2-8c33-c733ace5c9a2 | mp-15804 | Add one In atom at the Cartesian coordinate [8.413 4.615 4.013] to the cif file. | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Yb4Mg2Se8In
_chemical_formula_sum "Yb4 Mg2 Se8 In1"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
AddAtomAction | 2f9e7c4a-5895-41f9-9ade-822424adcc61 | mp-756828 | Add one Bi atom at the Cartesian coordinate [4.547 3.959 2.655] to the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... | data_image0
_chemical_formula_structural Mn6O5F7Bi
_chemical_formula_sum "Mn6 O5 F7 Bi1"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group... |
AddAtomAction | 43087a20-da3d-4671-9fe9-7e62f3fc0b89 | mp-23792 | Add one Dy atom at the Cartesian coordinate [1.304 0.177 1.189] to the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Dy
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18 Dy1"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999... |
AddAtomAction | b6c25807-e565-43a6-b497-a281cea8c5aa | mp-757379 | Add one Eu atom at the Cartesian coordinate [ 0.342 -0.724 7.438] to the cif file. | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... | data_image0
_chemical_formula_structural La9Mn9O30Eu
_chemical_formula_sum "La9 Mn9 O30 Eu1"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
... |
AddAtomAction | 05bc04f0-a0d0-42fa-ae5a-ef9286445d91 | mp-1290409 | Add one Pr atom at the Cartesian coordinate [8.585 2.813 2.473] to the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Pr
_chemical_formula_sum "Li8 Mn6 Sb2 O16 Pr1"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
... |
AddAtomAction | 9185b6aa-4e3e-447d-87b5-52c27581e6c9 | mp-770417 | Add one Fe atom at the Cartesian coordinate [8.051 3.896 4.863] to the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Fe
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 Fe1"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.... |
AddAtomAction | dfdcf772-939e-422b-b482-2c2f49ad4aa2 | mp-1074681 | Add one Og atom at the Cartesian coordinate [5.918 3.036 1.202] to the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4Og
_chemical_formula_sum "Mg8 Si4 Og1"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_grou... |
AddAtomAction | aa7865e3-c6ba-4120-9c00-118425f51b93 | mp-1175691 | Add one N atom at the Cartesian coordinate [4.886 5.645 4.569] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16N
_chemical_formula_sum "Li9 Mn2 Co5 O16 N1"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.302578... |
AddAtomAction | 5d95eeeb-de0d-4196-9572-0b02717b3620 | mp-755078 | Add one Ti atom at the Cartesian coordinate [9.479 2.561 4.166] to the cif file. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11Ti
_chemical_formula_sum "Sr2 Ti7 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.58745219999999... |
AddAtomAction | d9d07bed-a232-4e28-a9ac-5354b1f6bd3e | mp-1214285 | Add one Y atom at the Cartesian coordinate [2.362 2.139 4.171] to the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si8Ag16O32Y
_chemical_formula_sum "Be8 Si8 Ag16 O32 Y1"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 4a18248f-6976-4a78-b860-4a1f4d9b78dc | mp-754319 | Add one Al atom at the Cartesian coordinate [4.278 3.253 1.983] to the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8Al
_chemical_formula_sum "Li3 Nb1 Ni4 O8 Al1"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838... |
AddAtomAction | 9c681874-2da0-4c3e-9c88-cb7f74a01ba8 | mp-531566 | Add one Mg atom at the Cartesian coordinate [ 1.815 -0.302 4.955] 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 La16Mn14O48Mg
_chemical_formula_sum "La16 Mn14 O48 Mg1"
_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 | d8d75a54-d7c2-41ed-bdfb-395099a31a33 | mp-30215 | Add one Pd atom at the Cartesian coordinate [6.838 1.28 9.124] to the cif file. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28Pd
_chemical_formula_sum "Pr12 Mo4 O28 Pd1"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 1557d763-4570-499e-80c7-0866d93e4ead | mp-1213761 | Add one O atom at the Cartesian coordinate [1.629 4.976 9.718] to the cif file. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4O21
_chemical_formula_sum "Cr4 Ni8 B4 O21"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 | f64bca8b-57fd-4c76-bae2-b20c831f98a3 | mp-1079648 | Add one Dy atom at the Cartesian coordinate [0.107 4.147 3.244] to the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4Dy
_chemical_formula_sum "U2 Ge4 Rh4 Dy1"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | 6c79551f-69b5-47c7-ae8d-78cab213b0db | mp-1029069 | Add one Ge atom at the Cartesian coordinate [0.107 2.159 9.931] to the cif file. | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo2W2Se4S4Ge
_chemical_formula_sum "Mo2 W2 Se4 S4 Ge1"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_a... |
AddAtomAction | 991583ad-5fd7-42a6-98f2-b87d8b120900 | mp-1516907 | Add one Nh atom at the Cartesian coordinate [7.684 4.527 1.478] to the cif file. | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... | data_image0
_chemical_formula_structural KEuBiSbO6Nh
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6 Nh1"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000... |
AddAtomAction | 2855e168-24f5-4006-9721-9d6949a78a67 | mp-504385 | Add one Au atom at the Cartesian coordinate [8.359 2.895 9.245] to the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Au
_chemical_formula_sum "Li12 Fe8 P12 O48 Au1"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 1946df7c-a67b-4ce0-a4a8-cc0a0fe53143 | mp-778828 | Add one Au atom at the Cartesian coordinate [2.914 1.618 2.438] to the cif file. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... | data_image0
_chemical_formula_structural Mn6O10F2Au
_chemical_formula_sum "Mn6 O10 F2 Au1"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421... |
AddAtomAction | 13abd578-b913-4ada-9455-8590de0f61c2 | mp-1228941 | Add one Ca atom at the Cartesian coordinate [ 0.974 -0.867 2.733] to the cif file. | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... | data_image0
_chemical_formula_structural Al2Si6Ag2O16Ca
_chemical_formula_sum "Al2 Si6 Ag2 O16 Ca1"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7... |
AddAtomAction | 192f659c-f9e3-4ca2-abb3-3a3263280595 | mp-753838 | Add one Li atom at the Cartesian coordinate [-1.391 3.301 4.704] to the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14Li
_chemical_formula_sum "Li5 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group... |
AddAtomAction | 2723f505-213c-4ac7-801b-d7f541f85b98 | mp-1120783 | Add one Cn atom at the Cartesian coordinate [22.431 6.867 7.445] to the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30Cn
_chemical_formula_sum "Al30 C30 Cn1"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 3039d53d-0f35-43ac-a045-26b8a85327fe | mp-720430 | Add one Mc atom at the Cartesian coordinate [5.06 1.875 0.222] to the cif file. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18Mc
_chemical_formula_sum "Ca2 B6 H14 O18 Mc1"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_sp... |
AddAtomAction | e5d31549-0924-44a7-9ba5-54872e7c015c | mp-850538 | Add one H atom at the Cartesian coordinate [8.392 6.622 5.325] to the cif file. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24H
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24 H1"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.1... |
AddAtomAction | 57fcbd87-604f-4a92-8698-326f3a491d2b | mp-1212478 | Add one Cf atom at the Cartesian coordinate [-1.567 4.557 1.263] to the cif file. | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... | data_image0
_chemical_formula_structural H12O8Cf
_chemical_formula_sum "H12 O8 Cf1"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group... |
AddAtomAction | e4e4e250-d907-4dc3-bc04-f3fe7e18f50b | mp-849612 | Add one Pu atom at the Cartesian coordinate [ 3.568 1.219 12. ] to the cif file. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24Pu
_chemical_formula_sum "Li2 Fe8 B8 O24 Pu1"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702... |
AddAtomAction | f4613a05-4599-4205-9887-aa7e7e734017 | mp-1239141 | Add one Ni atom at the Cartesian coordinate [2.66 6.444 5.309] to the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Ni
_chemical_formula_sum "Ta2 Cr6 Cu4 S16 Ni1"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 1a24a246-60f5-4a89-b311-dae3cfaa23cf | mp-1193190 | Add one Tc atom at the Cartesian coordinate [1.425 2.606 1.837] to the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18Tc
_chemical_formula_sum "K4 Cr6 O18 Tc1"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 42b69e86-32b5-4aa6-9beb-1fb8f77eedf5 | mp-12885 | Add one Hf atom at the Cartesian coordinate [10.753 1.89 3.738] to the cif file. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7Hf
_chemical_formula_sum "Ba1 Al2 Sb2 O7 Hf1"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 3... |
AddAtomAction | b87968ad-3298-4348-a8b5-d87333d9d139 | mp-1073523 | Add one Cs atom at the Cartesian coordinate [1.317 3.387 4.524] to the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_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 Mg4Si8Cs
_chemical_formula_sum "Mg4 Si8 Cs1"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 7f063707-f1c3-4b9c-8cbe-9e9a790ccbc7 | mp-1518567 | Add one K atom at the Cartesian coordinate [4.824 5.464 2.15 ] to the cif file. | data_image0
_chemical_formula_structural Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_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 Sr4Tb4Eu4W4O24K
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24 K1"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | bf15a97c-01fb-49f2-b3d4-9cadd4e785f6 | mp-755794 | Add one Pu atom at the Cartesian coordinate [-0.364 3.59 4.926] to the cif file. | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6Lu2O6Pu
_chemical_formula_sum "Rb6 Lu2 O6 Pu1"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_... |
AddAtomAction | 7b26c19c-0ec5-4c97-af41-2d519cf54290 | mp-1176342 | Add one H atom at the Cartesian coordinate [6.94 6.417 4.675] to the cif file. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16H
_chemical_formula_sum "Na6 V6 O16 H1"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_... |
AddAtomAction | d160a19e-2e06-4a55-ad89-642b3e846309 | mp-695906 | Add one Ts atom at the Cartesian coordinate [12.802 4.608 5.138] to the cif file. | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48Ts
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48 Ts1"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | f146d489-178a-44e0-b529-21ae04bb969e | mp-18292 | Add one Ga atom at the Cartesian coordinate [5.146 0.5 4.67 ] to the cif file. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2Ga
_chemical_formula_sum "La8 Mn2 S12 O2 Ga1"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_... |
AddAtomAction | cb01530a-1959-4201-89d7-014c709dc825 | mp-1218391 | Add one Yb atom at the Cartesian coordinate [1.118 0.822 1.094] to the cif file. | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12Yb
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12 Yb1"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.9998... |
AddAtomAction | 9ba5e840-fc2e-444b-98ff-621270567622 | mp-1204213 | Add one Mo atom at the Cartesian coordinate [11.885 10.367 1.39 ] to the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Mo
_chemical_formula_sum "Tb4 Nb4 S14 O60 Mo1"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 3fd28c50-b536-44b3-a81e-95aceb4ce229 | mp-22071 | Add one Cd atom at the Cartesian coordinate [4.108 1.694 1.185] to the cif file. | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Sb8O16Cd
_chemical_formula_sum "Sb8 O16 Cd1"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
AddAtomAction | b12c557a-3180-4208-bf4e-e7e638564b7f | mp-979041 | Add one Kr atom at the Cartesian coordinate [0.012 1.681 0.579] to the cif file. | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm2Al6C6Kr
_chemical_formula_sum "Tm2 Al6 C6 Kr1"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt ... |
AddAtomAction | 9bf5a6c4-f949-48b1-a14b-b5fc343fce4d | mp-1194067 | Add one Cl atom at the Cartesian coordinate [-0.925 3.573 6.986] to the cif file. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2Cl
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2 Cl1"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group... |
AddAtomAction | 00041549-37f5-4e2d-bdac-16dabb299d79 | mp-1111088 | Add one Br atom at the Cartesian coordinate [8.634 4.581 2.764] to the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Br
_chemical_formula_sum "Na2 Al1 Au1 F6 Br1"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
AddAtomAction | 296124e1-a6ff-4a1c-ad09-49a74b6ca311 | mp-1105449 | Add one Cn atom at the Cartesian coordinate [5.042 5.087 8.495] to the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Cn
_chemical_formula_sum "Sm2 Tl2 P4 Se12 Cn1"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | c473a44b-cb84-43bb-bb79-83c7d8f25a01 | mp-2749603 | Add one Co atom at the Cartesian coordinate [2.415 3.26 0.528] to the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 Rb8Eu4F20Co
_chemical_formula_sum "Rb8 Eu4 F20 Co1"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | bf0275e4-3ee6-4fb6-a838-04c16f3d4db0 | mp-568761 | Add one Db atom at the Cartesian coordinate [4.34 6.129 4.448] to the cif file. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 Ag16Te16Db
_chemical_formula_sum "Ag16 Te16 Db1"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 23069131-4be8-4d9d-ac56-ab4e070e9ccf | mp-1228061 | Add one La atom at the Cartesian coordinate [0.547 4.096 2.529] to the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4La
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4 La1"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 6fc17c9e-1af3-451d-9e86-8201f473d7a2 | mp-1376216 | Add one O atom at the Cartesian coordinate [ 2.057 4.975 10.056] to the cif file. | 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 Mg4V8O17
_chemical_formula_sum "Mg4 V8 O17"
_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... |
AddAtomAction | 98413ffe-af5d-4f6f-a6a9-47960a309fae | mp-1213188 | Add one Og atom at the Cartesian coordinate [6.432 2.362 1.05 ] to the cif file. | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... | data_image0
_chemical_formula_structural Cu2AgHS2O10Og
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10 Og1"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space... |
AddAtomAction | d116f680-3bb4-4ad9-8680-e43eb21d1976 | mp-674343 | Add one Og atom at the Cartesian coordinate [10.797 3.055 5.522] to the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20Og
_chemical_formula_sum "Ti10 Cu7 S20 Og1"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.... |
AddAtomAction | c5b5d440-e00e-487c-8cac-1e0be559acf7 | mp-740718 | Add one Pr atom at the Cartesian coordinate [ 5.804 7.24 16.495] to the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Pr
_chemical_formula_sum "Al8 H48 N16 Cl24 Pr1"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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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