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 |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | c1b5f0ce-d989-49a8-bb70-d54736c31f47 | mp-667336 | Insert a Zn atom in the line between atoms at indices 36 and 90, and the inserted atom must be 7.22 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64Zn
_chemical_formula_sum "Cs16 Zr12 Te64 Zn1"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 5bdb5ce9-fa73-4682-88fe-e1a7af10efab | mp-685281 | Insert a V atom in the line between atoms at indices 13 and 25, and the inserted atom must be 1.19 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6V
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 V1"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
... |
InsertBetweenAtomsAction | d1527638-5326-4bad-9d8d-3e8e3140c08c | mp-558102 | Insert a Pu atom in the line between atoms at indices 7 and 10, and the inserted atom must be 0.98 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10Pu
_chemical_formula_sum "K2 Li2 Si4 O10 Pu1"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f6930416-e9b3-4864-a857-e2499525bdca | mp-1204112 | Insert a Cr atom in the line between atoms at indices 1 and 25, and the inserted atom must be 9.01 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Cr
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12 Cr1"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
InsertBetweenAtomsAction | 053bc0ca-e8e1-46bd-a4c0-5cf84a28c504 | mp-1516711 | Insert a Sm atom in the line between atoms at indices 28 and 10, and the inserted atom must be 1.99 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24Sm
_chemical_formula_sum "Sr8 Sm5 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | a0ac5512-6349-47c0-b592-6a6be8b524e3 | mp-1224199 | Insert a Rh atom in the line between atoms at indices 5 and 19, and the inserted atom must be 4.21 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9Rh
_chemical_formula_sum "Ho12 Co9 Rh1"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_gro... |
InsertBetweenAtomsAction | 1c5f3c5e-08b4-4a0b-b345-ddbd8de10c32 | mp-1173638 | Insert a Pm atom in the line between atoms at indices 19 and 23, and the inserted atom must be 1.13 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20Pm
_chemical_formula_sum "Sr10 Cu1 Ru4 O20 Pm1"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 3b07ea68-d0a8-4944-9a8d-af1ae0413314 | mp-642822 | Insert a He atom in the line between atoms at indices 3 and 9, and the inserted atom must be 1.83 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... | data_image0
_chemical_formula_structural Ca4C8He
_chemical_formula_sum "Ca4 C8 He1"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_g... |
InsertBetweenAtomsAction | f6c1fea5-07fe-4389-b5fb-9ea18d99240e | mp-1218836 | Insert a Hs atom in the line between atoms at indices 15 and 0, and the inserted atom must be 4.67 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9Hs
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9 Hs1"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 290591bc-26f1-4a30-b2bd-92c64ce43073 | mp-1111253 | Insert a Pt atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.28 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Na2AlHgF6Pt
_chemical_formula_sum "Na2 Al1 Hg1 F6 Pt1"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999... |
InsertBetweenAtomsAction | c6798e1e-a5a9-4514-bf7e-a0cea459d7af | mp-1079634 | Insert a Lu atom in the line between atoms at indices 8 and 3, and the inserted atom must be 0.39 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Lu
_chemical_formula_sum "Tb4 Sn2 Au4 Lu1"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-... |
InsertBetweenAtomsAction | 40c3332d-238f-463e-95b6-aa26a86dafec | mp-1035975 | Insert a Ho atom in the line between atoms at indices 15 and 5, and the inserted atom must be 2.32 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16Ho
_chemical_formula_sum "Y1 Mg14 Sn1 O16 Ho1"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | fdeac3e1-3621-41bb-b25f-b5e541028ce9 | mp-2215839 | Insert a Fl atom in the line between atoms at indices 6 and 9, and the inserted atom must be 4.39 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6Fl
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6 Fl1"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133... |
InsertBetweenAtomsAction | a15a1ebb-37dc-4c6d-8ca9-950777c8cb73 | mp-1213803 | Insert a He atom in the line between atoms at indices 0 and 16, and the inserted atom must be 0.34 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Co2H12Br4
_chemical_formula_sum "Co2 H12 Br4"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Co2H12Br4He
_chemical_formula_sum "Co2 H12 Br4 He1"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 673d2ab5-17a9-4530-9476-1a2dad6adc72 | mp-1019801 | Insert a Sr atom in the line between atoms at indices 5 and 10, and the inserted atom must be 4.81 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K8PO3
_chemical_formula_sum "K8 P1 O3"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural K8PO3Sr
_chemical_formula_sum "K8 P1 O3 Sr1"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_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... |
InsertBetweenAtomsAction | 726e9373-bf7f-4dbd-8f21-3baed0652fab | mp-1112234 | Insert a Pt atom in the line between atoms at indices 4 and 1, and the inserted atom must be 2.64 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6Pt
_chemical_formula_sum "K2 Ga1 Hg1 F6 Pt1"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | f32c0d9b-5f19-4a54-880b-9a3e8e62c00d | mp-862605 | Insert a Cs atom in the line between atoms at indices 3 and 23, and the inserted atom must be 3.51 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl18Cs
_chemical_formula_sum "Rb4 Zr6 C1 Cl18 Cs1"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_s... |
InsertBetweenAtomsAction | e5d612ac-2006-4da8-9287-0496221a2779 | mp-779472 | Insert a Ti atom in the line between atoms at indices 16 and 10, and the inserted atom must be 0.50 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_space_... | data_image0
_chemical_formula_structural Li10Cu2P4O16Ti
_chemical_formula_sum "Li10 Cu2 P4 O16 Ti1"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_... |
InsertBetweenAtomsAction | e917feff-a26a-47f3-9543-dd15689b4c1e | mp-1209474 | Insert a Pa atom in the line between atoms at indices 5 and 0, and the inserted atom must be 0.59 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4Pa
_chemical_formula_sum "Sm4 Ni4 Pb4 Pa1"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space... |
InsertBetweenAtomsAction | b2cfd87e-8477-4a3c-a3c2-31ef12c9f0e5 | mp-1220416 | Insert a Tb atom in the line between atoms at indices 8 and 3, and the inserted atom must be 2.38 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Nb2Fe2O8
_chemical_formula_sum "Nb2 Fe2 O8"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Fe2O8Tb
_chemical_formula_sum "Nb2 Fe2 O8 Tb1"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-... |
InsertBetweenAtomsAction | 03f94f4c-168f-4680-a0db-a3a71db6963b | mp-1210838 | Insert a Ta atom in the line between atoms at indices 7 and 3, and the inserted atom must be 0.46 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10Ta
_chemical_formula_sum "Mg2 P2 H12 N2 O10 Ta1"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6940cb1a-6994-4d45-90e8-3b5c5a15a1d6 | mp-21717 | Insert a Ag atom in the line between atoms at indices 31 and 39, and the inserted atom must be 1.12 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Fe28C12
_chemical_formula_sum "Fe28 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_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 Fe28C12Ag
_chemical_formula_sum "Fe28 C12 Ag1"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_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... |
InsertBetweenAtomsAction | be350a8d-228d-460a-a330-36701e4ff27d | mp-8081 | Insert a Rg atom in the line between atoms at indices 1 and 3, and the inserted atom must be 2.79 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12Rg
_chemical_formula_sum "Na4 Sn2 F12 Rg1"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ae22361a-4f11-4487-a86e-f1b656a639af | mp-800259 | Insert a Ru atom in the line between atoms at indices 12 and 16, and the inserted atom must be 1.52 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8Ru
_chemical_formula_sum "Li5 Cr3 Fe1 O8 Ru1"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950... |
InsertBetweenAtomsAction | ec496436-088a-479b-9196-d4c297cb7197 | mp-1194481 | Insert a Pa atom in the line between atoms at indices 21 and 9, and the inserted atom must be 4.06 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Sr6Sn6Au16
_chemical_formula_sum "Sr6 Sn6 Au16"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_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 Sr6Sn6Au16Pa
_chemical_formula_sum "Sr6 Sn6 Au16 Pa1"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | aa2da3df-6035-48e1-83d5-824635f0154a | mp-1209658 | Insert a S atom in the line between atoms at indices 22 and 6, and the inserted atom must be 4.18 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6S
_chemical_formula_sum "Pr10 C12 Br6 S1"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_spa... |
InsertBetweenAtomsAction | 41d94067-b314-4af7-b91a-791bdfa760bb | mp-28763 | Insert a La atom in the line between atoms at indices 38 and 5, and the inserted atom must be 2.64 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Ca16As16Pd16
_chemical_formula_sum "Ca16 As16 Pd16"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_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 Ca16As16Pd16La
_chemical_formula_sum "Ca16 As16 Pd16 La1"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b8c80c5a-f6c3-47a8-b093-a174052ec21d | mp-1032803 | Insert a Es atom in the line between atoms at indices 9 and 10, and the inserted atom must be 3.79 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8Es
_chemical_formula_sum "Mg6 Mn1 Zn1 O8 Es1"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | f52bf506-471d-4301-8b61-14f0809fffaa | mp-1017477 | Insert a Ho atom in the line between atoms at indices 14 and 15, and the inserted atom must be 4.94 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2Ho
_chemical_formula_sum "La2 Mg12 W2 Ho1"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 2c184f7e-3404-4c0c-b2e5-109d3fd15cb3 | mp-2218799 | Insert a K atom in the line between atoms at indices 0 and 11, and the inserted atom must be 4.65 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural NaMgFeSe2O8
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_group... | data_image0
_chemical_formula_structural NaMgFeSe2O8K
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8 K1"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_g... |
InsertBetweenAtomsAction | 46470676-bac7-445b-8cd2-69acfe3ad712 | mp-685281 | Insert a Sg atom in the line between atoms at indices 23 and 9, and the inserted atom must be 1.27 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6Sg
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 Sg1"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.5639533... |
InsertBetweenAtomsAction | 95419433-1cf5-4e17-acd7-f2f25550ac68 | mp-1228545 | Insert a Er atom in the line between atoms at indices 13 and 20, and the inserted atom must be 4.91 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Er
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13 Er1"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090... |
InsertBetweenAtomsAction | 6cc3762e-7adf-4911-95b1-c096d8fd51c9 | mp-1518745 | Insert a Ag atom in the line between atoms at indices 4 and 0, and the inserted atom must be 1.33 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6Ag
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6 Ag1"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | a850c44c-371d-4a7f-99d2-4501dec505e3 | mp-1179984 | Insert a Li atom in the line between atoms at indices 10 and 7, and the inserted atom must be 3.75 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8Li
_chemical_formula_sum "Pt4 Br12 N8 Li1"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001... |
InsertBetweenAtomsAction | 0fd31ffc-1a92-408a-ad66-6a7bb8d4e4f4 | mp-1104537 | Insert a Cr atom in the line between atoms at indices 6 and 5, and the inserted atom must be 2.49 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr5
_chemical_formula_sum "Nd1 Al8 Cr5"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... |
InsertBetweenAtomsAction | b147620b-7c79-46e1-862d-e6d43eeaca3f | mp-1026412 | Insert a Ni atom in the line between atoms at indices 6 and 1, and the inserted atom must be 4.33 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnNi
_chemical_formula_sum "Ba1 Mg14 Sn1 Ni1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_... |
InsertBetweenAtomsAction | f0b6e281-655a-44a7-88f5-43585fd03f09 | mp-545404 | Insert a No atom in the line between atoms at indices 5 and 3, and the inserted atom must be 3.41 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7No
_chemical_formula_sum "Sr1 Gd2 Al2 O7 No1"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.8607771199999... |
InsertBetweenAtomsAction | 99d3aa58-6512-4b20-8061-0f11200ddf6b | mp-1214455 | Insert a Cu atom in the line between atoms at indices 39 and 33, and the inserted atom must be 1.72 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28Cu
_chemical_formula_sum "Ba4 Fe8 Si8 O28 Cu1"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 383f6890-b752-483c-a10f-2a95c5b7c3a9 | mp-1043054 | Insert a Db atom in the line between atoms at indices 6 and 11, and the inserted atom must be 0.95 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_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 Ti4Zn4Ni4P8O36Db
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36 Db1"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 25acadef-603a-452e-b5bd-42c0b5a4eb56 | mp-1223532 | Insert a Li atom in the line between atoms at indices 6 and 5, and the inserted atom must be 2.25 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8Li
_chemical_formula_sum "K2 La2 C2 O8 Li1"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 6ddbcfc2-0cf9-436f-98da-6775cb338b17 | mp-759887 | Insert a Bk atom in the line between atoms at indices 57 and 19, and the inserted atom must be 5.38 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Sr18Ni14O42
_chemical_formula_sum "Sr18 Ni14 O42"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr18Ni14O42Bk
_chemical_formula_sum "Sr18 Ni14 O42 Bk1"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_... |
InsertBetweenAtomsAction | 48d53e17-ff9a-4890-a73a-2856c2a6c882 | mp-626121 | Insert a Br atom in the line between atoms at indices 8 and 11, and the inserted atom must be 2.46 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural V3H5O8
_chemical_formula_sum "V3 H5 O8"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V3H5O8Br
_chemical_formula_sum "V3 H5 O8 Br1"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name... |
InsertBetweenAtomsAction | 80d08809-8cdd-428b-b0ab-0eb4beefec30 | mp-765641 | Insert a Be atom in the line between atoms at indices 42 and 36, and the inserted atom must be 0.95 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Be
_chemical_formula_sum "Li8 Fe8 P8 O32 Be1"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | a3aa8696-5b63-48c0-b8d6-ff17a0d26f8c | mp-7062 | Insert a Lv atom in the line between atoms at indices 2 and 16, and the inserted atom must be 1.30 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg3Al9FeSi5
_chemical_formula_sum "Mg3 Al9 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_group_na... | data_image0
_chemical_formula_structural Mg3Al9FeSi5Lv
_chemical_formula_sum "Mg3 Al9 Fe1 Si5 Lv1"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_gr... |
InsertBetweenAtomsAction | e32f806c-45fa-41cf-b16f-15558ce16eb4 | mp-1221030 | Insert a Al atom in the line between atoms at indices 19 and 25, and the inserted atom must be 8.46 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ni32Sn24
_chemical_formula_sum "Ni32 Sn24"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni32Sn24Al
_chemical_formula_sum "Ni32 Sn24 Al1"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3395492c-d66c-428a-89a2-001ac0075889 | mp-759549 | Insert a Mc atom in the line between atoms at indices 7 and 19, and the inserted atom must be 5.88 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24Mc
_chemical_formula_sum "Mn2 P8 O24 Mc1"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c1801057-f195-452d-b48d-97c3a2aaabe6 | mp-1113577 | Insert a Tb atom in the line between atoms at indices 5 and 7, and the inserted atom must be 1.21 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs2AlAgBr6
_chemical_formula_sum "Cs2 Al1 Ag1 Br6"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2AlAgBr6Tb
_chemical_formula_sum "Cs2 Al1 Ag1 Br6 Tb1"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 60d680c4-faca-4fd2-b8b5-f39bcb7798be | mp-13211 | Insert a Ag atom in the line between atoms at indices 9 and 17, and the inserted atom must be 2.35 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Ag
_chemical_formula_sum "Ag5 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_s... |
InsertBetweenAtomsAction | f19c0415-c4f3-4516-a5c6-53389dc20700 | mp-1197552 | Insert a Lv atom in the line between atoms at indices 20 and 12, and the inserted atom must be 3.41 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U8Pb4Se20Lv
_chemical_formula_sum "U8 Pb4 Se20 Lv1"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 832b6d7d-e770-449f-82a0-ba649b33df8b | mp-703305 | Insert a K atom in the line between atoms at indices 4 and 27, and the inserted atom must be 8.43 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16K
_chemical_formula_sum "Na8 P4 H4 O16 K1"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | a6ebc7be-bb19-42b0-9569-5560863b1412 | mp-2240398 | Insert a Pd atom in the line between atoms at indices 7 and 4, and the inserted atom must be 5.64 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba2TmMgNbO6
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... | data_image0
_chemical_formula_structural Ba2TmMgNbO6Pd
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6 Pd1"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.... |
InsertBetweenAtomsAction | 4a4cc9c9-1ef4-4dea-8752-4e55f178891a | mp-720255 | Insert a Cd atom in the line between atoms at indices 78 and 51, and the inserted atom must be 6.08 angstrom from atom at 78 in the cif file. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3Cd
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3 Cd1"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023... |
InsertBetweenAtomsAction | fe42d408-e4fd-4034-9c87-d91bcad63b44 | mp-27741 | Insert a Ac atom in the line between atoms at indices 10 and 6, and the inserted atom must be 2.32 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Ac
_chemical_formula_sum "Te4 Au4 I4 Ac1"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
InsertBetweenAtomsAction | 3864407d-f2f0-42e4-a3e7-c12dd3563f3e | mp-1179899 | Insert a Pt atom in the line between atoms at indices 22 and 15, and the inserted atom must be 1.98 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4N8Cl8O8Pt
_chemical_formula_sum "Pt5 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 7d324d71-593a-467e-9460-073d249b2099 | mp-29267 | Insert a Pm atom in the line between atoms at indices 13 and 9, and the inserted atom must be 7.38 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sn20Sb8S36
_chemical_formula_sum "Sn20 Sb8 S36"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_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 Sn20Sb8S36Pm
_chemical_formula_sum "Sn20 Sb8 S36 Pm1"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | cebb4d79-6ca5-40bf-9c4b-e647f36edbbe | mp-1225820 | Insert a Er atom in the line between atoms at indices 9 and 12, and the inserted atom must be 0.53 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3Er
_chemical_formula_sum "Er4 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_gr... |
InsertBetweenAtomsAction | 31c8c472-afa7-4701-bf65-cd7731ab442b | mp-1247664 | Insert a Dy atom in the line between atoms at indices 37 and 25, and the inserted atom must be 3.92 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Sr3Ca5Mn8O24
_chemical_formula_sum "Sr3 Ca5 Mn8 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_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 Sr3Ca5Mn8O24Dy
_chemical_formula_sum "Sr3 Ca5 Mn8 O24 Dy1"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | cb40b6a0-527e-4c4b-bd4b-7910bd619a81 | mp-636519 | Insert a Cm atom in the line between atoms at indices 6 and 13, and the inserted atom must be 1.94 angstrom from atom at 6 in 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 Ni2Rh4O8Cm
_chemical_formula_sum "Ni2 Rh4 O8 Cm1"
_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... |
InsertBetweenAtomsAction | cb04d45d-e6ac-434f-9f45-b3e5ed77e520 | mp-1020642 | Insert a Eu atom in the line between atoms at indices 29 and 8, and the inserted atom must be 4.58 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Sr12Y8B16O48
_chemical_formula_sum "Sr12 Y8 B16 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_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 Sr12Y8B16O48Eu
_chemical_formula_sum "Sr12 Y8 B16 O48 Eu1"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | af3f0157-7b64-4190-98f5-befbcf3e4389 | mp-11609 | Insert a Bh atom in the line between atoms at indices 1 and 6, and the inserted atom must be 5.95 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Bh
_chemical_formula_sum "Sb2 Mo4 S4 Bh1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2686656d-470c-4480-897a-a0b425ed54f3 | mp-34578 | Insert a Mn atom in the line between atoms at indices 22 and 1, and the inserted atom must be 3.40 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34Mn
_chemical_formula_sum "Ba8 Y6 F34 Mn1"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_n... |
InsertBetweenAtomsAction | d2331c35-65f0-4a8d-9266-ff84614c240f | mp-1199595 | Insert a Sg atom in the line between atoms at indices 17 and 8, and the inserted atom must be 3.41 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2Sg
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2 Sg1"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle... |
InsertBetweenAtomsAction | ead66e53-dc16-4bdd-a363-22e8f7a1f472 | mp-641010 | Insert a Ac atom in the line between atoms at indices 2 and 17, and the inserted atom must be 5.56 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural La16Te12N8
_chemical_formula_sum "La16 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_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 La16Te12N8Ac
_chemical_formula_sum "La16 Te12 N8 Ac1"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | dd6c32db-1411-4b88-a906-fe5492b4342d | mp-1176021 | Insert a Sb atom in the line between atoms at indices 31 and 0, and the inserted atom must be 4.59 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Sb
_chemical_formula_sum "Li9 Mn2 Co5 O16 Sb1"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space... |
InsertBetweenAtomsAction | bc0bddb5-e0bd-40a2-8853-ee388d831681 | mp-2219397 | Insert a Hs atom in the line between atoms at indices 3 and 5, and the inserted atom must be 3.25 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Y2MgCr2O8
_chemical_formula_sum "Y2 Mg1 Cr2 O8"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 100.198... | data_image0
_chemical_formula_structural Y2MgCr2O8Hs
_chemical_formula_sum "Y2 Mg1 Cr2 O8 Hs1"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | e4a1fbff-f377-4b66-8e9e-12564f5bbb38 | mp-1174614 | Insert a Nh atom in the line between atoms at indices 14 and 8, and the inserted atom must be 1.28 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998
_spa... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Nh
_chemical_formula_sum "Li8 Mn2 Co4 O14 Nh1"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998... |
InsertBetweenAtomsAction | f6665242-589b-477c-a00a-dea6f3ae3c52 | mp-766542 | Insert a Gd atom in the line between atoms at indices 24 and 7, and the inserted atom must be 0.88 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16Gd
_chemical_formula_sum "Li4 Fe4 Si4 O16 Gd1"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 59668113-8c97-46d1-9f3a-5c95b2c90765 | mp-1219949 | Insert a Ho atom in the line between atoms at indices 8 and 12, and the inserted atom must be 5.03 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Ho
_chemical_formula_sum "Pr2 Al1 Fe16 Ho1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75... |
InsertBetweenAtomsAction | 0150a7f6-f636-40d4-a644-d13ee6ef6dfa | mp-7998 | Insert a Hf atom in the line between atoms at indices 11 and 14, and the inserted atom must be 2.47 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Hf
_chemical_formula_sum "Li4 Ge4 O10 Hf1"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | d39fa5dd-b8a5-4219-ba62-d73b0542e29a | mp-1103868 | Insert a Rh atom in the line between atoms at indices 0 and 13, and the inserted atom must be 2.99 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12Rh
_chemical_formula_sum "Zn1 Re2 O12 Rh1"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_... |
InsertBetweenAtomsAction | efb41529-4132-4b85-af6c-ef5f3c23d307 | mp-1104546 | Insert a Nd atom in the line between atoms at indices 13 and 2, and the inserted atom must be 1.22 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6Nd
_chemical_formula_sum "Co2 B6 Mo6 Nd1"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_... |
InsertBetweenAtomsAction | 3ffb9a30-abc8-4fe7-92c8-778babbf7207 | mp-560937 | Insert a Au atom in the line between atoms at indices 31 and 26, and the inserted atom must be 2.80 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.87606228000001
... | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2Au
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2 Au1"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.876062280... |
InsertBetweenAtomsAction | 39424e35-f96e-4909-a6f7-13782578f12e | mp-862697 | Insert a Mo atom in the line between atoms at indices 0 and 5, and the inserted atom must be 3.39 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 Er4Mg2Ge4Mo
_chemical_formula_sum "Er4 Mg2 Ge4 Mo1"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 9bf17ac3-d22c-4bb6-9afa-be11ec8ae2a1 | mp-34578 | Insert a Na atom in the line between atoms at indices 20 and 23, and the inserted atom must be 1.37 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34Na
_chemical_formula_sum "Ba8 Y6 F34 Na1"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_n... |
InsertBetweenAtomsAction | 6180214b-ba8f-45a9-9f08-deecf59fecfc | mp-1111088 | Insert a Fl atom in the line between atoms at indices 0 and 8, and the inserted atom must be 2.32 angstrom from atom at 0 in 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 Na2AlAuF6Fl
_chemical_formula_sum "Na2 Al1 Au1 F6 Fl1"
_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... |
InsertBetweenAtomsAction | cdfc6e72-9f3d-49d5-bbfa-6665d8330f50 | mp-1210476 | Insert a V atom in the line between atoms at indices 38 and 63, and the inserted atom must be 2.72 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Np2H32C6N8O22
_chemical_formula_sum "Np2 H32 C6 N8 O22"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.98552145
... | data_image0
_chemical_formula_structural Np2H32C6N8O22V
_chemical_formula_sum "Np2 H32 C6 N8 O22 V1"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.985521... |
InsertBetweenAtomsAction | 88763daf-19c0-42e0-bbb1-c84c5b0fdce7 | mp-1197555 | Insert a Og atom in the line between atoms at indices 41 and 30, and the inserted atom must be 6.97 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Ca2Al4Si8O28
_chemical_formula_sum "Ca2 Al4 Si8 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.1367042
_sp... | data_image0
_chemical_formula_structural Ca2Al4Si8O28Og
_chemical_formula_sum "Ca2 Al4 Si8 O28 Og1"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.136704... |
InsertBetweenAtomsAction | 55a50f21-8c70-4c53-bedc-c3aed9793ba5 | mp-770361 | Insert a Be atom in the line between atoms at indices 9 and 23, and the inserted atom must be 4.04 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li4V8B4O20Be
_chemical_formula_sum "Li4 V8 B4 O20 Be1"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | f69bf6a1-a8f7-43e6-b40d-d719bb0f42c1 | mp-1195337 | Insert a Og atom in the line between atoms at indices 16 and 37, and the inserted atom must be 5.92 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ir4Se12Br36
_chemical_formula_sum "Ir4 Se12 Br36"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ir4Se12Br36Og
_chemical_formula_sum "Ir4 Se12 Br36 Og1"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 8112127b-f8ee-4984-b519-7fa321e557d4 | mp-1192688 | Insert a Ds atom in the line between atoms at indices 10 and 3, and the inserted atom must be 3.12 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24Ds
_chemical_formula_sum "Zn4 N24 Ds1"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | d25a7461-5a86-42c3-95eb-9de204551659 | mp-38090 | Insert a Br atom in the line between atoms at indices 28 and 34, and the inserted atom must be 2.30 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24Br
_chemical_formula_sum "Fe12 Cu6 O24 Br1"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.097150769999... |
InsertBetweenAtomsAction | 55a80ee1-6b37-4c74-830f-cdeddb5fc925 | mp-530303 | Insert a Sm atom in the line between atoms at indices 26 and 11, and the inserted atom must be 1.82 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32Sm
_chemical_formula_sum "Mg8 Ga16 O32 Sm1"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999... |
InsertBetweenAtomsAction | d339f9fd-278e-41bb-85c2-0ac0daf3451d | mp-2913130 | Insert a Ga atom in the line between atoms at indices 4 and 9, and the inserted atom must be 2.06 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li3VF8
_chemical_formula_sum "Li3 V1 F8"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_space_... | data_image0
_chemical_formula_structural Li3VF8Ga
_chemical_formula_sum "Li3 V1 F8 Ga1"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_... |
InsertBetweenAtomsAction | f7283d32-8232-4d7a-adfb-9abe39ba531d | mp-755878 | Insert a Pt atom in the line between atoms at indices 5 and 4, and the inserted atom must be 1.32 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11Pt
_chemical_formula_sum "Cu6 O1 F11 Pt1"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_na... |
InsertBetweenAtomsAction | 5924d515-d6e3-4dd8-8885-b981d9b3b208 | mp-1227253 | Insert a Pt atom in the line between atoms at indices 10 and 34, and the inserted atom must be 0.78 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Pt
_chemical_formula_sum "Ca1 U3 Ti8 O24 Pt1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
InsertBetweenAtomsAction | 8a5a3fb3-abca-4dfd-9e88-cfdcdcf06186 | mp-1181827 | Insert a Ho atom in the line between atoms at indices 4 and 26, and the inserted atom must be 0.96 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40Ho
_chemical_formula_sum "Er12 N4 F40 Ho1"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-... |
InsertBetweenAtomsAction | 260b4158-bb4e-45b2-ae72-c5585c590cdf | mp-641116 | Insert a Au atom in the line between atoms at indices 9 and 7, and the inserted atom must be 0.47 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural GdMn4Cu3O12
_chemical_formula_sum "Gd1 Mn4 Cu3 O12"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_space_grou... | data_image0
_chemical_formula_structural GdMn4Cu3O12Au
_chemical_formula_sum "Gd1 Mn4 Cu3 O12 Au1"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_spac... |
InsertBetweenAtomsAction | 56500e2b-da1f-401e-ae24-37469b98cda5 | mp-1177674 | Insert a Ni atom in the line between atoms at indices 44 and 16, and the inserted atom must be 1.85 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Li12Mn16O32
_chemical_formula_sum "Li12 Mn16 O32"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_group_... | data_image0
_chemical_formula_structural Li12Mn16O32Ni
_chemical_formula_sum "Li12 Mn16 O32 Ni1"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_... |
InsertBetweenAtomsAction | 4e612bed-f2ae-419d-a5c2-46ea3f1d6bf5 | mp-1105260 | Insert a U atom in the line between atoms at indices 4 and 5, and the inserted atom must be 1.25 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2U
_chemical_formula_sum "Tb8 In2 Ge8 Rh2 U1"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.6336784... |
InsertBetweenAtomsAction | d63f671c-3926-4e5a-a374-0c022311cbd4 | mp-1178619 | Insert a H atom in the line between atoms at indices 25 and 39, and the inserted atom must be 3.06 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32H
_chemical_formula_sum "Zr2 Cl8 O32 H1"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_... |
InsertBetweenAtomsAction | 55bd9021-e000-4a93-bf75-111bac7a67a6 | mp-581602 | Insert a Si atom in the line between atoms at indices 10 and 4, and the inserted atom must be 36.99 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12Si
_chemical_formula_sum "Zn12 S12 Si1"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.8450262599999... |
InsertBetweenAtomsAction | c05291e0-cc42-449e-91c7-91a00e503bbd | mp-1195898 | Insert a S atom in the line between atoms at indices 59 and 19, and the inserted atom must be 4.77 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural Na32Fe8O24
_chemical_formula_sum "Na32 Fe8 O24"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na32Fe8O24S
_chemical_formula_sum "Na32 Fe8 O24 S1"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_name_... |
InsertBetweenAtomsAction | 0586029b-4fe4-4219-88fa-a299d7a9b0f5 | mp-2589 | Insert a O atom in the line between atoms at indices 11 and 10, and the inserted atom must be 3.98 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mg4O8
_chemical_formula_sum "Mg4 O8"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_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 Mg4O9
_chemical_formula_sum "Mg4 O9"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_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_... |
InsertBetweenAtomsAction | 453da427-6db3-4eda-9ce6-18073f6b67a2 | mp-761038 | Insert a Pr atom in the line between atoms at indices 23 and 22, and the inserted atom must be 4.91 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li10Ni4P6O24
_chemical_formula_sum "Li10 Ni4 P6 O24"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_group_... | data_image0
_chemical_formula_structural Li10Ni4P6O24Pr
_chemical_formula_sum "Li10 Ni4 P6 O24 Pr1"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_... |
InsertBetweenAtomsAction | 428e9f17-9382-4044-8640-fdaca080ba0d | mp-1194528 | Insert a Al atom in the line between atoms at indices 5 and 8, and the inserted atom must be 4.10 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Dy2Fe12Sn12
_chemical_formula_sum "Dy2 Fe12 Sn12"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy2Fe12Sn12Al
_chemical_formula_sum "Dy2 Fe12 Sn12 Al1"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | ec97a7ac-4c8d-4c75-85ad-ea095858ac58 | mp-2212246 | Insert a K atom in the line between atoms at indices 3 and 9, and the inserted atom must be 2.64 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr8Nb4O18
_chemical_formula_sum "Sr8 Nb4 O18"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.00006697999999
_sp... | data_image0
_chemical_formula_structural Sr8Nb4O18K
_chemical_formula_sum "Sr8 Nb4 O18 K1"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.00006697999999
... |
InsertBetweenAtomsAction | db3e697b-0f9c-4d6a-8b53-f129d874bc38 | mp-1237973 | Insert a As atom in the line between atoms at indices 3 and 1, and the inserted atom must be 2.81 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6As
_chemical_formula_sum "Y2 Mg2 S6 As1"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_gro... |
InsertBetweenAtomsAction | bf68f340-50e9-42fd-b5e9-241429602328 | mp-543011 | Insert a Mo atom in the line between atoms at indices 1 and 3, and the inserted atom must be 4.32 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7Mo
_chemical_formula_sum "Zn7 S7 Mo1"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_... |
InsertBetweenAtomsAction | 7807a720-d1b3-40db-bcb9-867165e1e68a | mp-1191430 | Insert a Cs atom in the line between atoms at indices 20 and 0, and the inserted atom must be 1.10 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Cu4Cl12O8
_chemical_formula_sum "Cu4 Cl12 O8"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu4Cl12O8Cs
_chemical_formula_sum "Cu4 Cl12 O8 Cs1"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ac05c599-34ab-46c0-8125-9ac1f912050d | mp-1245289 | Insert a Mc atom in the line between atoms at indices 55 and 16, and the inserted atom must be 1.00 angstrom from atom at 55 in the cif file. | data_image0
_chemical_formula_structural Cr8Fe24O48
_chemical_formula_sum "Cr8 Fe24 O48"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_space_gr... | data_image0
_chemical_formula_structural Cr8Fe24O48Mc
_chemical_formula_sum "Cr8 Fe24 O48 Mc1"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_sp... |
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