material_id stringlengths 4 10 | formula stringlengths 1 25 | space_group_number int64 1 230 | crystal_system stringclasses 7 values | structure stringlengths 533 242k | deprecated bool 2 classes | uncorrected_energy_per_atom float64 -86.36 -0.03 ⌀ | energy_per_atom float64 -86.36 -0.03 ⌀ | formation_energy_per_atom float64 -5.15 8.99 ⌀ | energy_above_hull float64 -0 9.71 ⌀ | is_stable bool 2 classes | equilibrium_reaction_energy_per_atom float64 -4.52 0 ⌀ | band_gap float64 0 17.9 ⌀ | cbm float64 -9.83 14.7 ⌀ | vbm float64 -14.22 14.7 ⌀ | efermi float64 -14.02 19.4 ⌀ | is_gap_direct bool 2 classes | is_metal bool 2 classes | is_magnetic bool 2 classes | ordering stringclasses 5 values | total_magnetization float64 0 320 ⌀ | total_magnetization_normalized_vol float64 0 0.26 ⌀ | total_magnetization_normalized_formula_units float64 0 214 ⌀ | num_magnetic_sites int64 0 160 ⌀ | num_unique_magnetic_sites int64 0 160 ⌀ | possible_species listlengths 0 10 ⌀ | theoretical bool 2 classes | e_total float64 1.16 127k ⌀ | e_ionic float64 0 127k ⌀ | e_electronic float64 -64.84 46.9k ⌀ | n float64 0 216 ⌀ | universal_anisotropy float64 -8,421,341,618,307,863,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 2,889,475,335,111,887,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000B ⌀ | homogeneous_poisson float64 -179.36 82.9 ⌀ | e_ij_max float64 0 119 ⌀ | xas_is_available bool 2 classes | bandstructure_is_available bool 2 classes | dos_is_available bool 2 classes | decomposes_to_is_available bool 2 classes | types_of_magnetic_species_is_available bool 2 classes |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-3249764 | LaYb2(DyRu)2 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.528135658135053,-0.009841043205684,0.9483690330333351],[6.108480594180758,5.951106323317056,0.9483680475603791],[-0.026373987737958002,-0.010705461633952001,7.298720217999]],"pbc":[true,true,true],"a":8.580710837250171,"b":8.580711135712507,"c":7.2987757202674315,"alpha":83.86146699400986,"beta":83.86146132053781,"gamma":44.03269438173718,"volume":371.035912425589},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20238858096307402,0.9925960756676061,0.592838502340157],"properties":{"magmom":0.0},"label":"La","xyz":[7.773615624794783,5.898706457793659,5.460247828160273]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0074039243331470005,0.79761141903662,0.9071614976595441],"properties":{"magmom":0.0},"label":"La","xyz":[4.911410079782195,4.736885914430473,7.384568800702068]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.208313425218449,0.36567425637493,0.314964392558152],"properties":{"magmom":0.001},"label":"Yb","xyz":[4.001932381504222,2.1707445187486174,2.843188762117626]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6343257436251121,0.7916865747813661,0.185035607441967],"properties":{"magmom":0.001},"label":"Yb","xyz":[10.240737944966,4.703187662620731,2.7029082724014777]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.798687652690766,0.628138454219616,0.674487642148733],"properties":{"magmom":-0.0},"label":"Yb","xyz":[10.630499279880093,3.723038105551384,6.27605366684529]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37186154578017705,0.20131234730948902,0.8255123578512311],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.379226222562638,1.1855341866214146,6.5687639088183305]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9750971544389411,0.19829250456730502,0.083537223730502],"properties":{"magmom":-0.0},"label":"Dy","xyz":[9.524823519323306,1.1695695000266382,1.7225210446684884]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8017074954328861,0.024902845560511002,0.416462776269639],"properties":{"magmom":-0.0},"label":"Dy","xyz":[6.978205043886951,0.13585141730954559,3.8235769104453907]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.563596282243054,0.43640371775678904,0.750000000000085],"properties":{"magmom":-0.0},"label":"Dy","xyz":[7.452408701731549,2.583509452671917,6.422408766468995]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42585819262092806,0.5741418073789071,0.250000000000056],"properties":{"magmom":-0.0},"label":"Dy","xyz":[7.132317029546911,3.4099116860917316,2.7730485217321132]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.163061547638392,0.6206327228364541,0.5873950023848451],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.166241993855468,3.6855582909320024,5.0304625457250705]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37936727716400004,0.836938452361039,0.9126049976151831],"properties":{"magmom":0.0},"label":"Ru","xyz":[8.323648865666295,4.967206488518654,7.8143544109432215]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.832395533740623,0.364065355889707,0.424873694468814],"properties":{"magmom":-0.0},"label":"Ru","xyz":[9.311462580823452,2.153851532088739,4.23572032209982]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635934644110427,0.16760446625966102,0.075126305531085],"properties":{"magmom":-0.0},"label":"Ru","xyz":[6.4451641640658455,0.9903694768838033,1.310377329019778]}]} | false | -31.443987 | -31.443987 | -0.355956 | 0.019269 | false | null | 0 | null | null | 5.147503 | false | true | false | NM | 0.000422 | 0.000001 | 0.000211 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249765 | Dy2Ga3Tc8Ge | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.25579263146404,-0.007128828128134,0.0],[-0.007128828128134,7.25579263146404,0.0],[0.0,0.0,4.336941854808844]],"pbc":[true,true,true],"a":7.255796133505843,"b":7.255796133505843,"c":4.336941854808844,"alpha":90.0,"beta":90.0,"gamma":90.11258635794458,"volume":228.3247047982032},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500357970910556,0.49964202908944305,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.6269318162761395,3.621731987059759,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999516727286867,0.00048327271313300006,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[7.252282659704991,-0.0036188563690850014,2.168470927404422]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.706447595750972,0.7054546376662431,0.5],"properties":{"magmom":0.0},"label":"Ga","xyz":[5.120808194901271,5.113596418319219,2.168470927404422]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.294545362333757,0.293552404249027,0.5],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.135067385016688,2.127855608434627,2.168470927404422]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.793040287385636,0.20695971261436302,0.0],"properties":{"magmom":-0.0},"label":"Ga","xyz":[5.752660493446147,1.4960033098897523,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.855292214610173,0.39362113603888804,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[6.203016891090631,2.8499361072621814,2.168470927404422]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8952347860329011,0.6495526117703591,0.0],"properties":{"magmom":-0.0},"label":"Tc","xyz":[6.491007414998318,4.7066370793076375,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.350447388229639,0.10476521396709801,0.0],"properties":{"magmom":-0.0},"label":"Tc","xyz":[2.5420267240282537,0.7576563883375806,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6063788639611111,0.14470778538981902,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[4.398727696073718,1.0456469122452166,2.168470927404422]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394455231234069,0.8541230166551791,0.5],"properties":{"magmom":-0.0},"label":"Tc","xyz":[2.855996464044584,6.194527487062775,2.168470927404422]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10670326452707701,0.354559495414122,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.7716891668047184,2.57184950500787,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14587698334482002,0.605544768765931,0.5],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.0541363162731245,4.3926673392913225,2.168470927404422]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6454405045858771,0.8932967354729221,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[4.676814298328029,6.476974636531181,0.0]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.206261819806513,0.7937381801934861,0.0],"properties":{"magmom":0.0},"label":"Ge","xyz":[1.4909345692391234,5.757729234096776,0.0]}]} | false | -23.213944 | -23.213944 | -0.365286 | 0 | true | -0.033892 | 0 | null | null | 9.073813 | false | true | false | NM | 0.000015 | 0 | 0.000015 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249766 | Li2Tb2Si2Ge | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.30097367987774,-0.029144034342948003,0.0],[-8.301992788660336,4.193551824449893,0.0],[0.0,0.0,6.705872514067361]],"pbc":[true,true,true],"a":9.301019340293635,"b":9.301019361732092,"c":6.705872514067361,"alpha":90.0,"beta":90.0,"gamma":153.38000783528287,"volume":259.934113934978},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.810131247250339,0.18986875274966,0.559298954582502],"properties":{"magmom":0.0},"label":"Li","xyz":[5.95872039180232,0.7726139616072031,3.7505874866814097]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18986875274966,0.810131247250339,0.44070104541749805],"properties":{"magmom":0.0},"label":"Li","xyz":[-4.959739500584916,3.3917938284997375,2.955285027385952]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18986875274966,0.810131247250339,0.059298954582502006],"properties":{"magmom":0.0},"label":"Li","xyz":[-4.959739500584916,3.3917938284997375,0.39765122964772903]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.810131247250339,0.18986875274966,0.9407010454174981],"properties":{"magmom":0.0},"label":"Li","xyz":[5.95872039180232,0.7726139616072031,6.308221284419633]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.552402456670684,0.447597543329308,0.25],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.4219291332518391,1.8609242582795702,1.6764681285168404]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44759754332931506,0.552402456670691,0.75],"properties":{"magmom":0.0},"label":"Tb","xyz":[-0.42294824203443443,2.30348353182737,5.029404385550521]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34403579115242805,0.655964208847549,0.25],"properties":{"magmom":0.0},"label":"Tb","xyz":[-2.2459422930269857,2.74079331387392,1.6764681285168404]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.655964208847571,0.34403579115245003,0.75],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.2449231842443904,1.4236144762330207,5.029404385550521]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.941124497335124,0.058875502664868004,0.073371651713799],"properties":{"magmom":0.0},"label":"Si","xyz":[8.264590180649671,0.2194693069443372,0.49202094253928813]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.058875502664875005,0.941124497335131,0.9266283482862001],"properties":{"magmom":0.0},"label":"Si","xyz":[-7.265609289432267,3.9449384831626033,6.2138515715280676]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.058875502664875005,0.941124497335131,0.573371651713799],"properties":{"magmom":0.0},"label":"Si","xyz":[-7.265609289432267,3.9449384831626033,3.8449571995729688]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.941124497335124,0.058875502664868004,0.42662834828620005],"properties":{"magmom":0.0},"label":"Si","xyz":[8.264590180649671,0.2194693069443372,2.8609153144943864]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7200326816418681,0.27996731835815303,0.25],"properties":{"magmom":-0.0},"label":"Ge","xyz":[4.372718362532845,1.153072801485361,1.6764681285168404]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27996731835813105,0.7200326816418461,0.75],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-3.37373747131544,3.01133498862158,5.029404385550521]}]} | false | -14.832796 | -14.832796 | -0.740541 | 0 | true | -0.057382 | 0 | null | null | 5.106593 | false | true | false | NM | 0.000003 | 0 | 0.000002 | 0 | 0 | [
"Ge4-",
"Si2-",
"Li+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249767 | La3PSe3 | 161 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.322297237615466,0.0,-2.58882270148598],[-3.680151883277034,6.440037718328884,-2.642572043223829],[0.038006528938604005,0.0,7.873966787933638]],"pbc":[true,true,true],"a":7.76646894127056,"b":7.8740580834227,"c":7.874058513481083,"alpha":109.74635675982528,"beta":109.19466193983425,"gamma":109.19466958049625,"volume":371.93740660007643},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8792684312803231,0.764086345822505,0.12254202642980501],"properties":{"magmom":0.0},"label":"La","xyz":[3.630968397995134,4.92074488715702,-3.3305314454437007]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11518108545788401,0.35845468060746505,0.23591365417758603],"properties":{"magmom":0.0},"label":"La","xyz":[-0.46681126490870306,2.308461663423608,0.6121505512631933]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.615181085457813,0.23591365417749402,0.358454680607302],"properties":{"magmom":0.0},"label":"La","xyz":[3.649964302160636,1.5192928311718579,0.6064466633790625]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7567264048506671,0.877455973570029,0.64154331939261],"properties":{"magmom":0.0},"label":"La","xyz":[2.33618724497616,5.650849565963979,0.7737196693109298]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37927043128063703,0.12254402642997,0.7640863458225761],"properties":{"magmom":0.0},"label":"La","xyz":[2.355190471438928,0.7891881523648985,4.710695189310928]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25672640485041803,0.6415433193925391,0.8774559735701281],"properties":{"magmom":0.0},"label":"La","xyz":[-0.4478007541552428,4.131563174829865,4.549115608473782]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6522819239159,0.0,4.259999999999999e-14],"properties":{"magmom":-0.0},"label":"P","xyz":[4.776202129635898,0.0,-1.6886422524020972]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.152281923915907,0.0,4.259999999999999e-14],"properties":{"magmom":-0.0},"label":"P","xyz":[1.115053510828216,0.0,-0.3942309016591254]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49905674938082706,0.503116564146886,0.147513529500258],"properties":{"magmom":-0.0},"label":"Se","xyz":[1.8083029635793375,3.240089649821979,-1.4599745769683727]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.351543219880795,0.8524864705001881,0.355603034646776],"properties":{"magmom":-0.0},"label":"Se","xyz":[-0.5496605050169091,5.490045024386275,-0.3628334978541029]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9990567493806061,0.147513529499811,0.503116564146587],"properties":{"magmom":-0.0},"label":"Se","xyz":[6.791639997067855,0.9499926939426033,0.9853271946267332]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9959401852336001,0.644396965352925,0.49688343585292205],"properties":{"magmom":-0.0},"label":"Se","xyz":[4.93997617622851,4.149940762449508,-0.3687342948545476]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.495940185233941,0.49688343585311406,0.6443969653533721],"properties":{"magmom":-0.0},"label":"Se","xyz":[1.8273062280486392,3.199948068506905,2.4770088169984468]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.851543219880674,0.35560303464707405,0.852486470499997],"properties":{"magmom":-0.0},"label":"Se","xyz":[4.958979440697807,2.2900969558793696,3.568249099112277]}]} | false | -22.385353 | -22.385353 | -2.218054 | 0 | true | -0.02456 | 1.3662 | 7.7925 | 6.4263 | 6.49669 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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"La3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249768 | Sr3SmSb3 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.967257063240175,-0.004261142348678,4.8532057708126555],[0.001032236628477,6.9672585164326595,4.853205771038549],[-0.017539035237177,-0.017525745445995,9.826394776901472]],"pbc":[true,true,true],"a":8.490953738918467,"b":8.490953924993219,"c":9.826426058391068,"alpha":55.24223131814326,"beta":55.24223026798493,"gamma":70.95052792112526,"volume":478.18553046466684},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000991899589024,0.135202389409109,0.11253677902263301],"properties":{"magmom":-0.0},"label":"Sr","xyz":[0.005076593743501822,0.9400134814848522,1.7668097269453231]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8647976105908981,0.9990081004109751,0.8874632209773661],"properties":{"magmom":-0.0},"label":"Sr","xyz":[6.01073322471163,6.941109215348523,17.76599659183769]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49953664951952703,0.85608313865341,0.751242049675632],"properties":{"magmom":-0.0},"label":"Sr","xyz":[3.468107869304086,5.949257864854445,13.961102732303498]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14391686134658901,0.5004633504804731,0.248757950324368],"properties":{"magmom":-0.0},"label":"Sr","xyz":[0.9988593908816885,3.481884622049874,5.571703586529717]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9987252219667361,0.6453532697315081,0.6047241243552931],"properties":{"magmom":-0.0},"label":"Sr","xyz":[6.948435236541338,4.481489113237995,13.921309200755834]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35464673026849103,0.001274778033263,0.395275875644706],"properties":{"magmom":-0.0},"label":"Sr","xyz":[2.4639834947794177,0.0004430035301537695,5.611497117917]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6336585360481161,0.49853471182748804,0.25022453117937704],"properties":{"magmom":-0.0},"label":"Sm","xyz":[4.4109878198842205,3.4663347360570187,7.953571830611271]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501465288172511,0.36634146395188305,0.7497754688206221],"properties":{"magmom":-0.0},"label":"Sm","xyz":[3.4810653836997023,2.5371184956571398,11.579234488110863]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.85816672031769,0.14183327968230902,0.5],"properties":{"magmom":0.0},"label":"Sb","xyz":[5.970445031458918,0.9757694825029736,9.766403159295425]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6243365589315101,0.37566344106848903,0.0],"properties":{"magmom":0.0},"label":"Sb","xyz":[4.350301073618479,2.614683922145738,4.853205770897511]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26825679844301903,0.26176778224198904,0.6174072376540211],"properties":{"magmom":0.0},"label":"Sb","xyz":[1.8584555527104036,1.8118402076653826,8.639205609016809]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7382322177580101,0.731743201556973,0.38259276234597905],"properties":{"magmom":0.0},"label":"Sb","xyz":[5.137498657680966,5.088393116960918,10.89360070973436]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12617825961199,0.612908352564112,0.8787236782070731],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.8643370714045904,4.25435298816788,12.221625173355518]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38709164743588703,0.8738217403880171,0.12127632179292601],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.695741935844786,6.084367052006343,7.3111811455071285]}]} | false | -23.044077 | -23.044077 | -1.288527 | 0 | true | -0.030065 | 0.818 | 4.7447 | 3.9267 | 4.05032 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sm3+",
"Sr2+",
"Sb3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249769 | Ce(Tm2Os)2 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.866783331121854,8.881267e-9,-2.390215639141158],[-0.354332047070802,7.102711633473834,-0.869705180248961],[0.0036536991554900005,0.039777508317747005,8.404085453310858]],"pbc":[true,true,true],"a":6.335004140166304,"b":7.164527259241729,"c":8.404180382775982,"alpha":96.70274699039074,"beta":112.14154918767035,"gamma":90.0000080300686,"volume":350.4975082757802},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7975405067052741,0.09875400512586201,0.804591121731938],"properties":{"magmom":0.0},"label":"Ce","xyz":[4.646945375742279,0.7334258581798424,4.769671880206642]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9929493849713181,0.40124599487442203,0.195408878267556],"properties":{"magmom":0.0},"label":"Ce","xyz":[5.6839585509081125,2.8577074827786375,-1.0800959578343126]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21182081192714003,0.9178810223197971,0.18028854944882503],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.9181308671136938,6.5266156465322105,0.2105770784938179]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.031532262480126,0.582118977680252,0.819711450551579],"properties":{"magmom":-0.0},"label":"Tm","xyz":[-0.018275478054618148,4.167229314157935,6.3072842801656215]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20595344410330801,0.17491654780384602,0.565236348874407],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.148370897973064,1.2648654943714313,4.1058956064909635]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640717095230215,0.325083452195897,0.434763651125784],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.64534938476098,2.326267838200922,1.8396120923821762]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7813167863228401,0.813841424408515,0.43375536392753805],"properties":{"magmom":-0.0},"label":"Tm","xyz":[4.297031012029719,5.797734667484853,1.069999439777338]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34755942239485105,0.686158575591569,0.5662446360723901],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.7979967407245239,4.896110301070089,3.331270674427997]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.433202716986372,0.25000000000036204,4.546999999999999e-13],"properties":{"magmom":-0.0},"label":"Tm","xyz":[2.4529234672445184,1.775677912218437,-1.2528742041180012]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.582994303607087,0.7499999999995801,0.999999999999545],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.1582059263935878,5.36681123859785,6.358324466108811]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.611518086300478,0.414300105605924,0.7775268586146351],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.4436851600928744,2.973582266353505,4.7124231205255045]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8339902276880121,0.085699894394743,0.222473141386359],"properties":{"magmom":-0.0},"label":"Os","xyz":[4.863286597032711,0.6175510715438812,-0.1982668359352093]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37193492507185505,0.570515308221324,0.214965898861834],"properties":{"magmom":-0.0},"label":"Os","xyz":[1.9806951823494543,4.06075652791177,0.4214069899616713]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15697002621112602,0.929484691777908,0.785034101137135],"properties":{"magmom":-0.0},"label":"Os","xyz":[0.5944311981349107,6.633088435308578,5.413923806791974]}]} | false | -39.984294 | -39.984294 | -0.370682 | 0 | true | -0.017133 | 0 | null | null | 4.586055 | false | true | false | NM | 0.000018 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249770 | Th6TcPd6Ru | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.282824455808629,0.12226678766884401,-3.26563452715516],[-5.078329846695818,5.221592288087714,-3.265637304578268],[0.05043806529708501,0.122267148650728,7.9813126323820605]],"pbc":[true,true,true],"a":7.982408789735026,"b":7.982408600160222,"c":7.98240844544374,"alpha":113.76889277955405,"beta":113.76887755388903,"gamma":113.76888712031759,"volume":314.24404695557763},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.401245171054014,0.044457324123101,0.282625580662966],"properties":{"magmom":-0.0},"label":"Th","xyz":[2.7106842760208214,0.31575280280602736,0.8002215366132533]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.044457324123058,0.28262558066244703,0.401245171053389],"properties":{"magmom":-0.0},"label":"Th","xyz":[-1.0912530042168926,1.5302503095867959,2.1343291403301468]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.282625580662944,0.401245171053616,0.044457324123186],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.022899504102114644,2.1351300829238804,-1.8784452507184743]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5987548289459851,0.9555426758768981,0.717374419337033],"properties":{"magmom":-0.0},"label":"Th","xyz":[-0.4557516016109283,5.1503734216012536,0.6498192640353776]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9555426758769411,0.7173744193375521,0.59875482894661],"properties":{"magmom":-0.0},"label":"Th","xyz":[3.346185678626786,3.935875914820485,-0.6842883396815161]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.717374419337055,0.5987548289463831,0.9555426758768131],"properties":{"magmom":-0.0},"label":"Th","xyz":[2.232033170307778,3.330996141483401,3.328486051367105]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.1274663372049476,2.733063112203643,0.7250204003243166]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23059408266184503,0.064610897413409,0.5695702647719331],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.3799887980239698,0.43520549363269495,3.581886594279724]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06461089741313901,0.5695702647717761,0.23059408266173803],"properties":{"magmom":0.0},"label":"Pd","xyz":[-2.410285132190385,3.01015754991427,-0.230562016739377]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56957026477157,0.230594082661838,0.064610897413153],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.980306289789359,1.2816076005294978,-2.0973651891213083]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7694059173381541,0.93538910258659,0.43042973522806705],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.8749438763859246,5.030920730774586,-2.131845793631085]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.93538910258686,0.43042973522822303,0.769405917338261],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.665217806600278,2.455968674493011,1.6806028173880088]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43042973522842903,0.7694059173381611,0.935389102586846],"properties":{"magmom":0.0},"label":"Pd","xyz":[-0.7253736153794662,4.184518623877783,3.5474059897699397]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -45.73869 | -45.73869 | -0.73844 | 0 | true | -0.019477 | 0 | null | null | 8.868352 | false | true | false | NM | 0.000016 | 0 | 0.000016 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249771 | U3Pa3As8 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.069730636366712,0.014579957017062,-2.452339079002307],[-3.548691685349377,6.0840372736198844,-2.527160338008321],[0.032775839178947004,-0.030887732303457004,7.454597204980225]],"pbc":[true,true,true],"a":7.4829987841994585,"b":7.482998169080774,"c":7.454733247819115,"alpha":110.06999950088515,"beta":108.8789427617682,"gamma":109.62002496301106,"volume":320.69375414947723},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748210193899083,0.8736254230574471,0.12716495319339302],"properties":{"magmom":2.442},"label":"U","xyz":[2.193585193391496,5.322150672497606,-3.094693112586227]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24646046986407502,0.6210442407056861,0.372835046806599],"properties":{"magmom":2.442},"label":"U","xyz":[-0.4492654172405912,3.7705336629582678,0.6054520829062998]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.628898471978601,0.37889847197860804,0.25],"properties":{"magmom":2.43},"label":"U","xyz":[3.1097428972039944,2.3066798060491505,-0.6361601888291999]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8714429582644521,0.12144295826444501,0.75],"properties":{"magmom":0.47900000000000004},"label":"Pa","xyz":[5.754485243035178,0.7284032863462717,3.146968454605571]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37563901267847605,0.251547746243083,0.623679256013652],"properties":{"magmom":0.488},"label":"Pa","xyz":[1.783442851580711,1.5166386269938081,3.092381920873346]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12786849022941701,0.751958756664841,0.8763207439863471],"properties":{"magmom":0.49},"label":"Pa","xyz":[-1.735751856927238,4.549741860312922,4.318720927562754]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6591542914902391,0.657818189210651,0.6606018167316351],"properties":{"magmom":-0.069},"label":"As","xyz":[2.3473011290242325,3.9913963315858947,1.645638591105304]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5018694593814811,0.003913883977318,0.345784862765526],"properties":{"magmom":-0.068},"label":"As","xyz":[3.5455261139708427,0.020448940872895307,1.3370417713423495]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001784600291316,0.342336668323568,0.506730447234737],"properties":{"magmom":-0.07200000000000001},"label":"As","xyz":[-1.185622129471226,2.067163315198778,2.9079552801664263]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33560522108879803,0.49505415305654304,0.9932695527652621],"properties":{"magmom":-0.07200000000000001},"label":"As","xyz":[0.6483991996294458,2.9861411853035196,5.330325412271816]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.006518113761245001,0.8500857362425901,0.508883412860583],"properties":{"magmom":-0.063},"label":"As","xyz":[-2.9539317945882337,5.156330084260884,1.62923328553434]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8412033233819821,0.49763570090068004,0.9911165871394161],"properties":{"magmom":-0.063},"label":"As","xyz":[4.213609910475508,3.009285517436134,4.067853950889611]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.158129021211799,0.156084596615976,0.154215137234473],"properties":{"magmom":-0.068},"label":"As","xyz":[0.5690880060744679,0.947166662105901,0.3673749508097424]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49721637247902306,0.9985524747585971,0.839398183268365],"properties":{"magmom":-0.069},"label":"As","xyz":[-0.0008570632809010103,6.056552763054806,2.5145300002777753]}]} | false | -43.17815 | -43.17815 | -1.174263 | 0 | true | -0.03349 | 0 | null | null | 8.815781 | false | true | true | FM | 8.999884 | 0.028064 | 8.999884 | 6 | 4 | [
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"Pa5+",
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] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249772 | Tb(YbAs)3 | 9 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.152795469405653,-0.002920623695753,-2.511879458603282],[-3.587798377751433,6.228691309768788,-2.536957189509535],[0.016042379079904003,-0.0029206121669140004,7.581013322695647]],"pbc":[true,true,true],"a":7.581030930668066,"b":7.622666489699595,"c":7.581030859110841,"alpha":109.51949566580917,"beta":109.22871800263646,"gamma":109.51948950664237,"volume":337.84586855302274},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.138356013512684,0.49940989318993406,0.999912719203159],"properties":{"magmom":0.0},"label":"Tb","xyz":[-0.7861087591130337,3.107345618619629,5.965836498454839]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499912719203131,0.9994098931898061,0.638356013512634],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0003329886760028395,6.221691269334897,1.0482048388064709]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36286671644845103,0.35860922040431104,0.365819072745729],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.3147624344369393,2.2315379219700824,0.9520255729947272]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9972740101834311,0.134326681067989,0.492743313154107],"properties":{"magmom":0.0},"label":"Yb","xyz":[6.659264748390295,0.832327656817403,0.8896804816334083]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8658190727456081,0.858609220404261,0.8628667164484931],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.126352407731658,5.342962958888794,2.188316094726273]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.992743313154221,0.6343266810679891,0.49727401018333206],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.833031093490033,3.9466733117540307,-0.33307027378087845]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.63847664153755,0.507306410577413,0.0040927101473110005],"properties":{"magmom":0.001},"label":"Yb","xyz":[2.7468453688262273,3.157978327726018,-2.8597641161221303]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.504092710147197,0.0073064105772360005,0.138476641537487],"properties":{"magmom":0.001},"label":"Yb","xyz":[3.5816796200623515,0.0436326743898126,-0.23496291031599145]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8767194213398851,0.24958192801882,0.11754029219378001],"properties":{"magmom":-0.0},"label":"As","xyz":[5.377430694362414,1.5516649290021876,-1.9443176510066245]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13056479012038802,0.871566528721849,0.25247217880807604],"properties":{"magmom":-0.0},"label":"As","xyz":[-2.1890514842141178,5.427600159398039,-0.6250950343429929]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.371994377099298,0.6292003380198421,0.751168743506312],"properties":{"magmom":-0.0},"label":"As","xyz":[0.41540627686829745,3.9158143493636413,3.1639608963809827]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251168743506276,0.129200338019821,0.871994377099319],"properties":{"magmom":-0.0},"label":"As","xyz":[1.347002751808523,0.8014686958720952,5.651919656222571]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752472178808098,0.37156652872190604,0.630564790120416],"properties":{"magmom":-0.0},"label":"As","xyz":[4.05928956185473,2.3103338851772155,1.9475522891850001]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.617540292193766,0.7495819280188131,0.37671942133983505],"properties":{"magmom":-0.0},"label":"As","xyz":[1.7338340546052202,4.666010586874573,-0.5969290841396518]}]} | false | -27.758311 | -27.758311 | -1.338717 | 0.189842 | false | null | 0 | null | null | 4.456682 | false | true | false | NM | 0.002555 | 0.000008 | 0.001278 | 0 | 0 | [
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"Yb2+",
"Tb3+"
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mp-3249773 | La8PtRh5 | 82 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.35210299023029,-7.4821556e-8,-2.6369891811255273],[-3.65831408539867,6.397831410684924,-2.58681844975437],[-0.035475724877833,7.60191926e-8,7.810625958335992]],"pbc":[true,true,true],"a":7.810706134551873,"b":7.810706651703325,"c":7.81070652297778,"alpha":109.2116127769372,"beta":109.99169372270252,"gamma":109.21161440318502,"volume":366.7939278008069},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10881784415187201,0.502502299359029,0.9948033527126441],"properties":{"magmom":-0.0},"label":"La","xyz":[-1.0735626123593427,3.214925062262822,6.183203193369233]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500409884336356,0.000145653157709,0.6054726936865861],"properties":{"magmom":-0.0},"label":"La","xyz":[3.6570525792694215,0.0009318729335552168,3.409168508973192]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39452730631357,0.394938190649803,0.39467295947117204],"properties":{"magmom":-0.0},"label":"La","xyz":[1.4417961334325409,2.5267479619019535,1.0206452258058247]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999734768821362,0.105061809350282,0.49959011566368605],"properties":{"magmom":-0.0},"label":"La","xyz":[6.948080564810148,0.6721677071013514,0.9940459297620196]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8936844552071501,0.885985508560665,0.8911821558478931],"properties":{"magmom":-0.0},"label":"La","xyz":[3.2976315570473376,5.6683859169611654,2.312170580590333]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.005196647287071,0.614014491439419,0.507699946646269],"properties":{"magmom":-0.0},"label":"La","xyz":[-2.2260626002409944,3.9283612381529633,2.36340686477498]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.60532704052872,0.49985434684220503,0.000265231178552],"properties":{"magmom":-0.0},"label":"La","xyz":[2.621793137769544,3.1979837957231076,-2.887201681990146]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49230005335389304,0.997497700640892,0.10631554479320401],"properties":{"magmom":-0.0},"label":"La","xyz":[-0.033490815070993836,6.381822092493653,-3.0481444162307243]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875,0.25,0.125],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.514077129492107,1.5994577967047687,-1.9777419011314297]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12522016431034902,0.87292875870655,0.248787923909937],"properties":{"magmom":0.0},"label":"Rh","xyz":[-2.28164196100406,5.5848510412864565,-0.6451230202769618]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375859165203337,0.627071241293435,0.7522914056037631],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.4426436548915554,4.011896113350542,3.262610772285518]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.247708594396279,0.123567759599602,0.8747798356897001],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.3380959733426405,0.7905657416804116,5.859725848645003]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751212076090034,0.376432240400411,0.6241408347966051],"properties":{"magmom":0.0},"label":"Rh","xyz":[4.123739335123377,2.4083500028680738,1.920230623989438]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.75,0.375],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.8380254080157412,4.798373539757418,-0.6592473411432349]}]} | false | -30.121269 | -30.121269 | -0.826476 | 0 | true | -0.009572 | 0 | null | null | 8.972608 | false | true | false | NM | 0.000036 | 0 | 0.000036 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249774 | LaDy(PdO2)4 | 82 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.227760256935583,0.014934204505647001,-3.93699555962686],[-1.291795775827838,5.065664766029478,-3.936995758668123],[-0.011570143562017,-0.014933071146196,6.54440800726526]],"pbc":[true,true,true],"a":6.544435374498019,"b":6.544435151486331,"c":6.5444352720760826,"alpha":127.08462096172822,"beta":127.0846328641701,"gamma":78.11266174397352,"volume":172.8224339401452},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.5920861769637193,1.2701503093135067,-0.6647916057545458]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38010315313181303,0.62184343242545,0.252482082638195],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.180872184301951,3.1519565709433706,-2.2923136187863284]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.872378929505309,0.619896846869153,0.24174027929368602],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.7570107986851453,3.149607976307895,-4.293036209221894]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37815656757543703,0.6306386502115651,0.7582597207063201],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.1534823566271086,3.188928311631836,0.990738569253809]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.369361349787439,0.12762107049383,0.7475179173617971],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.7574233354772437,0.6408389398947464,2.9354446366949705]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.598817709810703,0.9640283938167471,0.9661152923861561],"properties":{"magmom":0.0},"label":"O","xyz":[1.8739695249566408,4.877960465752772,0.16973429319053834]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.412824013578372,0.856087724589016,0.16442000547805602],"properties":{"magmom":-0.0},"label":"O","xyz":[1.0503521018636435,4.340363325684886,-3.919668448715002]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.691667719111812,0.248402008100697,0.8355799945220491],"properties":{"magmom":-0.0},"label":"O","xyz":[3.285320567712213,1.2561730319073043,1.7673260156432298]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.997912101430614,0.632702417423971,0.033884707613985],"properties":{"magmom":0.0},"label":"O","xyz":[4.399130862658036,3.2194553639781422,-6.197966894294673]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.143912275415004,0.308332280887576,0.556735288992662],"properties":{"magmom":-0.0},"label":"O","xyz":[0.3475950286781065,1.5557434191934933,1.8630180118111923]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.367297582575403,0.401182290185829,0.36521068400196505],"properties":{"magmom":0.0},"label":"O","xyz":[1.3976725768129303,2.0322865722344265,-0.6354142018541317]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751597991894826,0.5871759864227071,0.443264711007231],"properties":{"magmom":-0.0},"label":"O","xyz":[3.1655340159496372,2.9790419205310323,-2.3698422007985194]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.035971606183281005,0.002087898573449,0.634789315997892],"properties":{"magmom":0.0},"label":"O","xyz":[0.17800919110782612,0.001634447543059907,4.004480180898621]}]} | false | -16.199869 | -16.199869 | -1.817821 | 0 | true | -0.035018 | 0 | null | null | 5.931352 | false | true | false | NM | 0.000058 | 0 | 0.000058 | 0 | 0 | [
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mp-3249775 | Ac8CdNi6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.494557532215515,0.031436028078217,2.11894067974139],[1.611257999807153,7.319373707413778,2.118938604552984],[0.038942291524594004,0.031437143743717005,7.788246629597326]],"pbc":[true,true,true],"a":7.788407438739485,"b":7.788407065670593,"c":7.788407434097811,"alpha":73.92560495465322,"beta":73.9255925900559,"gamma":73.92560467362517,"volume":425.84014115444734},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29982997604440703,0.29982997604349704,0.29982997604439204],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.7418725191646125,2.213418904948481,3.6057930446671262]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.700170023955593,0.7001700239565021,0.700170023955614],"properties":{"magmom":0.0},"label":"Ac","xyz":[6.402885304382649,5.1688279742872245,8.42033286922462]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8115652859303061,0.33548662064203605,0.138368084367648],"properties":{"magmom":0.0},"label":"Ac","xyz":[6.628266598170506,2.4854142367900387,3.5081790171332834]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33548662064252,0.138368084367428,0.811565285930072],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.768874674504866,1.0488273800417427,7.3247403264356645]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.138368084367748,0.8115652859291841,0.33548662064281803],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.3577132460193884,5.95504609978237,4.625703319711563]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.188434714069693,0.6645133793579631,0.8616319156323511],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.5164912253767473,4.896832642445667,8.517946896758406]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.66451337935748,0.861631915632578,0.188434714069927],"properties":{"magmom":0.0},"label":"Ac","xyz":[6.375883149042405,6.333419499194013,4.701385587456041]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.861631915632251,0.18843471407081502,0.664513379357181],"properties":{"magmom":0.0},"label":"Ac","xyz":[6.7870445775278645,1.4272007794533348,7.400422594180126]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[4.57237891177363,3.691123439617856,6.01306295694585]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46720809911658906,0.633883550525787,0.080663209562899],"properties":{"magmom":0.0},"label":"Ni","xyz":[4.526009130299269,4.6568535811165965,2.9613715431337413]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.633883550525141,0.080663209563198,0.46720809911773303],"properties":{"magmom":0.0},"label":"Ni","xyz":[4.898840133833027,0.6250186444953002,5.152813933411494]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08066320956343201,0.46720809911766903,0.633883550524558],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.3820127301015075,3.44213389578797,6.097747259612782]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.53279190088341,0.366116449474212,0.9193367904371],"properties":{"magmom":0.0},"label":"Ni","xyz":[4.6187486932479835,2.7253932981191085,9.064754370757948]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36611644947485905,0.919336790436801,0.532791900882266],"properties":{"magmom":0.0},"label":"Ni","xyz":[4.245917689714234,6.7572282347404045,6.873311980480198]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.919336790436567,0.5327919008823301,0.36611644947544103],"properties":{"magmom":0.0},"label":"Ni","xyz":[7.762745093445745,3.940112983447735,5.928378654278907]}]} | false | -42.929022 | -42.929022 | -0.189347 | 0 | true | -0.150244 | 0 | null | null | 6.560603 | false | true | false | NM | 0.000018 | 0 | 0.000018 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249776 | Th6CoPd6Rh | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.311931331023011,0.070370521373372,-3.328565734117269],[-5.19274172949248,5.148275400775193,-3.3285671406476562],[0.028575908777944,0.07037068326265801,8.033856729232303]],"pbc":[true,true,true],"a":8.034216928003246,"b":8.03421841134773,"c":8.034215740285825,"alpha":114.26556413341876,"beta":114.26556105379588,"gamma":114.26555877245619,"volume":308.77289351684846},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.3912140309668,0.033512908272150005,0.272526173885523],"properties":{"magmom":0.0},"label":"Th","xyz":[2.6942939359850593,0.21924146965693977,0.7757046525179415]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.033512908273778,0.27252617388904804,0.39121403096834906],"properties":{"magmom":0.0},"label":"Th","xyz":[-1.1589346550702426,1.432928116589514,2.1242858897609387]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.272526173893318,0.391214030973898,0.033512908278460006],"properties":{"magmom":0.0},"label":"Th","xyz":[-0.037823092576897345,2.0356137072994605,-1.940065548842363]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.608785969033199,0.9664870917278491,0.7274738261144761],"properties":{"magmom":0.0},"label":"Th","xyz":[-0.5465284256765858,5.069775135754279,0.6010192019494349]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.966487091726222,0.727473826110951,0.6087859690316431],"properties":{"magmom":0.0},"label":"Th","xyz":[3.3067001653787234,3.8560884888217037,-0.7475620352936209]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7274738261066811,0.608785969026101,0.9664870917215391],"properties":{"magmom":0.0},"label":"Th","xyz":[2.185588602885371,3.2534028981117578,3.31678940330974]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Co","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23465369748092202,0.06965611770682001,0.577421067104126],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.3705658251605353,0.41575509535981525,3.6260028041920567]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06965611770414801,0.5774210671009421,0.234653697478577],"properties":{"magmom":0.0},"label":"Pd","xyz":[-2.482372278531198,2.994137153986505,-0.2686655703040607]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.577421067101141,0.23465369747804402,0.069656117704035],"properties":{"magmom":0.0},"label":"Pd","xyz":[3.0055576317209667,1.2535970285672913,-2.1434372950184204]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7653463025190771,0.9303438822931791,0.42257893289587406],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.7771996851479379,4.873261510051403,-2.249278949724673]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9303438822958511,0.422578932899057,0.7653463025214221],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.630137788839671,2.294879451424714,1.6453894247714367]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.422578932898858,0.765346302521955,0.9303438822959641],"properties":{"magmom":0.0},"label":"Pd","xyz":[-0.8577921214124928,4.035419576843927,3.5201611494857974]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.0738827551542378,2.6445083027056113,0.6883619272336889]}]} | false | -44.787843 | -44.787843 | -0.788932 | 0 | true | -0.000222 | 0 | null | null | 8.908975 | false | true | false | NM | 0.000036 | 0 | 0.000036 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249777 | Nd2HoRuI3 | 11 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3069197793401655,0.0,0.0],[0.0,8.929648050996189,0.7017544896295781],[0.0,0.138709133047588,12.418746373811873]],"pbc":[true,true,true],"a":4.3069197793401655,"b":8.957180007032086,"c":12.41952099401005,"alpha":84.86660117895555,"beta":90.0,"gamma":90.0,"volume":477.19678236018495},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.10171795679424601,0.6773709935571901],"properties":{"magmom":0.0},"label":"Nd","xyz":[3.230189834505124,1.0022630979069547,8.48347960282001]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8982820432057531,0.322629006442809],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.0767299448350414,8.066094086136813,4.637021260621429]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.275142451254318,0.896097993372414],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.0767299448350414,2.581222229375806,11.321496156229166]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7248575487456811,0.103902006627585],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.230189834505124,6.4871349546679635,1.7990047072122708]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.11619765422431501,0.120045953405764],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.230189834505124,1.0542556266972682,1.572362474084959]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8838023457756841,0.879954046594235],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.0767299448350414,8.0141015573465,11.54813838935648]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.060528766242612005,0.9041398593791781],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.230189834505124,0.6659130355557981,11.270759933546437]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9394712337573871,0.095860140620821],"properties":{"magmom":-0.0},"label":"Ru","xyz":[1.0767299448350414,8.40244414848797,1.8497409298950023]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.36351728725437404,0.632108632378084],"properties":{"magmom":0.0},"label":"I","xyz":[1.0767299448350414,3.3337606760235037,8.105096674589236]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6364827127456251,0.36789136762191504],"properties":{"magmom":0.0},"label":"I","xyz":[3.230189834505124,5.734596508020266,5.015404188852203]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.148786053841433,0.38597796577941],"properties":{"magmom":0.0},"label":"I","xyz":[3.230189834505124,1.3821457647092998,4.8977737441718245]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.851213946158566,0.6140220342205891],"properties":{"magmom":0.0},"label":"I","xyz":[1.0767299448350414,7.686211419334469,8.222727119269614]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.411616452229878,0.136281833451235],"properties":{"magmom":-0.0},"label":"I","xyz":[1.0767299448350414,3.694493585380653,1.981303218346674]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.588383547770121,0.8637181665487641],"properties":{"magmom":-0.0},"label":"I","xyz":[3.230189834505124,5.373863598663116,11.139197645094765]}]} | false | -28.458123 | -28.458123 | -1.198416 | 0 | true | -0.011292 | 0.0583 | 4.9329 | 4.8746 | 4.906587 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249778 | TbYPa3O10 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.50338847243928,0.005977195517476001,-1.093867501341266],[-4.643410776628806,4.55019206575883,-1.106860853596968],[0.007467068423242001,-0.0006052526895840001,6.607737287136417]],"pbc":[true,true,true],"a":6.594743623584844,"b":6.59474430323364,"c":6.607741533932346,"alpha":99.71216220815425,"beta":99.4830129291803,"gamma":131.7505695006216,"volume":195.7470393274965},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.398894606871792,0.202043248897105,0.600937855768783],"properties":{"magmom":0.009000000000000001},"label":"Tb","xyz":[1.6604840328614388,0.9213561398744063,3.3108678669600855]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0011204001747340002,0.9980687458057741,0.9991881459806601],"properties":{"magmom":0.009000000000000001},"label":"Y","xyz":[-4.619695766256314,4.5408064237854475,5.4964239757904405]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7956847717104121,0.400386225907063,0.19607099761783703],"properties":{"magmom":0.34400000000000003},"label":"Pa","xyz":[3.316953531401408,1.8264715193135745,-0.01795991097670693]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20008575855009503,0.600104232345515,0.8001909908953231],"properties":{"magmom":0.343},"label":"Pa","xyz":[-1.479319963039087,2.7313011505965523,4.404352655749389]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.604269093679569,0.799476871797665,0.403745965477021],"properties":{"magmom":0.336},"label":"Pa","xyz":[0.22051193466610122,3.641140784998002,1.1219472942233857]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755098527349872,0.25043056508592004,0.49589621350713703],"properties":{"magmom":-0.015},"label":"O","xyz":[3.751549964562916,1.1437203992934024,2.1735823721244243]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15435591726226502,0.45850869463367105,0.103844385359337],"properties":{"magmom":-0.015},"label":"O","xyz":[-1.1244323077329412,2.0871623878067873,0.009826170541884465]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544373009598622,0.65300308311604,0.698089876453018],"properties":{"magmom":-0.008},"label":"O","xyz":[0.5133202868909467,2.974120750848173,3.29453901262452]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.941068606728485,0.8413778932861861,0.29943892489809804],"properties":{"magmom":-0.008},"label":"O","xyz":[2.215507482811002,3.833874729178798,0.017921130676042625]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.354340468929535,0.045902446863806005,0.9026641219125081],"properties":{"magmom":-0.008},"label":"O","xyz":[2.0980100592755653,0.21043657189357384,5.526158231231627]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8567606750490311,0.5483226529825911,0.902664121913133],"properties":{"magmom":-0.008},"label":"O","xyz":[3.0325004365856354,2.4995480712560925,4.420467837535457]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.245465648420079,0.7407976861564051,0.495896213506867],"properties":{"magmom":-0.015},"label":"O","xyz":[-1.839766599928278,3.3719388075378256,2.1882850457949643]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6453366907261391,0.9494884680978821,0.10384438535901101],"properties":{"magmom":-0.015},"label":"O","xyz":[-0.21121437660915135,4.3241493455500235,-1.0706880324912422]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.045087793338268005,0.153717866855082,0.698089876453572],"properties":{"magmom":-0.008},"label":"O","xyz":[-0.41533907919841173,0.6992927959103059,4.393330145254478]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.458059031611085,0.358369318169302,0.29943892489767804],"properties":{"magmom":-0.008},"label":"O","xyz":[1.3171158028165686,1.6332059003211845,1.0808928914793738]}]} | false | -26.827374 | -26.827374 | -4.038479 | 0 | true | -0.003663 | 0 | null | null | 8.85072 | false | true | true | FM | 1.000125 | 0.005109 | 1.000125 | 3 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249779 | Tm10OsRuRh2 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.826511277489001,-0.004686484159815,-2.360813233649675],[-0.339456578418083,7.094392702648758,-0.825808520896522],[-0.025963793919297002,-0.001994744940623,8.32567203457225]],"pbc":[true,true,true],"a":6.286628250025265,"b":7.150356515671968,"c":8.32571275776798,"alpha":96.63713947944099,"beta":112.23569763710961,"gamma":90.07840846600043,"volume":343.6869108978812},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.791749724262224,0.08450776519646301,0.8110744695301051],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.563393410159222,0.5942028634910854,4.813779569564417]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.977411777627963,0.41550050531736804,0.188596009477514],"properties":{"magmom":0.0},"label":"Tm","xyz":[5.548959697309804,2.9427669271212102,-1.0804219951381802]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.211209993088552,0.916337961126735,0.185697242907643],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.9147390527439027,6.499501093654768,0.2907072990914196]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.028824083881964002,0.586284410844044,0.8193820314308481],"properties":{"magmom":-0.0},"label":"Tm","xyz":[-0.05234851648867413,4.157562304194544,6.269699123894634]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.210973643820622,0.181878401868125,0.564976794051489],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.152831553937561,1.2882010977412368,4.055545390104011]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.647627282250404,0.318743065752329,0.435813585999888],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.6538928590126245,2.257384047747758,1.836293187161635]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7852753882547171,0.8132088285297031,0.43733764910286504],"properties":{"magmom":-0.0},"label":"Tm","xyz":[4.288011874534135,5.76467022111963,1.1156865262820648]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.348631357041618,0.6846201852458971,0.5604381769379351],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.7843546065592322,4.854212659744164,3.277605752915907]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.422445964519198,0.249404515749468,0.9995855713486391],"properties":{"magmom":-0.0},"label":"Tm","xyz":[2.3507711390632933,1.7653998719584085,7.118945239744484]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.577413926374696,0.7496863978972641,0.00017874639044600002],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.1098181333501422,5.315863312744314,-1.9807756702385657]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39147041733923504,0.573267674189757,0.21543778228764401],"properties":{"magmom":0.0},"label":"Os","xyz":[2.080713736050485,4.064721641100104,0.39606644724524287]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173933836417539,0.9268756181783071,0.7801221251687801],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.6785385033679981,6.573248339035763,5.318993874971924]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.606699259170774,0.42544960222354405,0.779686568148775],"properties":{"magmom":-0.0},"label":"Rh","xyz":[3.3702747879655397,3.0139079910545656,4.707771109543811]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.826329345950483,0.07423606788100301,0.221673247217424],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.783661852994327,0.52234505726938,-0.1665352775160376]}]} | false | -34.692165 | -34.692165 | -0.556972 | 0 | true | -0.001613 | 0 | null | null | 4.356076 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249780 | YbSb2F12 | 2 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.138123660006978,0.020753698610664003,0.063293101052946],[2.497979430474379,4.834380085925458,1.51135616932792],[-0.08501806892571101,0.11108140971773602,8.661120245739463]],"pbc":[true,true,true],"a":5.138555388255577,"b":5.647595020965235,"c":8.662249769129655,"alpha":74.08496201817819,"beta":89.85369356272355,"gamma":63.31886280297787,"volume":213.86842312187562},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.001},"label":"Yb","xyz":[3.7755425107778233,2.4831075971269287,5.117884758060164]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7606346562524701,0.014586248322025002,0.22869493691959503],"properties":{"magmom":0.001},"label":"Sb","xyz":[3.9252278702783094,0.11170520681338841,2.0509422908038157]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23936534374752902,0.9854137516779741,0.771305063080404],"properties":{"magmom":0.001},"label":"Sb","xyz":[3.6258571512773297,4.854509987440465,8.184827225316504]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9463449623148531,0.237326187728946,0.21221727977412203],"properties":{"magmom":0.0},"label":"F","xyz":[5.437231073339103,1.1905385485587987,2.256620883645363]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.053655037685146005,0.762673812271053,0.787782720225877],"properties":{"magmom":0.0},"label":"F","xyz":[2.1138539482165357,3.7756766456950546,7.979148632474956]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.033374181922241,0.7677022923562971,0.13219242357983002],"properties":{"magmom":0.0},"label":"F","xyz":[2.077946464222735,3.72674143256485,2.3073184274294722]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49105916968328206,0.7762909755368731,0.638808659058341],"properties":{"magmom":0.0},"label":"F","xyz":[4.4079713485608885,3.8340366934148133,6.7371314228448576]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.50894083031671,0.22370902446312602,0.361191340941658],"properties":{"magmom":0.0},"label":"F","xyz":[3.143113672994715,1.1321785008390404,3.498638093275461]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9771407986292001,0.22709725100121803,0.5685667927982501],"properties":{"magmom":0.0},"label":"F","xyz":[5.539616067534135,1.1813109143063591,5.329496462808774]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.022859201370799002,0.7729027489987811,0.43143320720174905],"properties":{"magmom":0.0},"label":"F","xyz":[2.0114689540215043,3.7849042799474946,4.906273053311546]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42432843747660304,0.221713839172778,0.706229160814274],"properties":{"magmom":0.0},"label":"F","xyz":[2.6740463544459754,1.1591042841413044,6.4786813241921015]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.575671562523396,0.778286160827221,0.293770839185725],"properties":{"magmom":0.0},"label":"F","xyz":[4.877038667109664,3.807110910112549,3.7570881919282177]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.518518495530209,0.765761691044879,0.9542614659045221],"properties":{"magmom":0.0},"label":"F","xyz":[4.495939635828953,3.818744955204243,9.455130601605749]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48148150446979004,0.23423830895512002,0.045738534095477006],"properties":{"magmom":0.0},"label":"F","xyz":[3.055145385726686,1.1474702390496105,0.7806389145145716]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.966625818077758,0.23229770764370203,0.867807576420162],"properties":{"magmom":0.0},"label":"F","xyz":[5.473138557332905,1.239473761689003,7.928451088690786]}]} | false | -11.12816 | -11.12816 | -2.764537 | 0.212467 | false | null | 0 | null | null | 3.946418 | false | true | false | NM | 0.003089 | 0.000014 | 0.003089 | 0 | 0 | [
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mp-3249781 | Ca4YbPt2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.596404396676213,-0.052777502633138004,1.072804700009849],[6.104873083082727,6.052393255585224,1.072804700602438],[-0.000429673498266,-0.00017574823874900002,7.61141405226573]],"pbc":[true,true,true],"a":8.663247886349643,"b":8.663247047524166,"c":7.611414066422545,"alpha":82.88980151115406,"beta":82.8898000810098,"gamma":44.73838893850773,"volume":398.46857285790406},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.023979992314025003,0.798776875322964,0.9196131116626841],"properties":{"magmom":0.0},"label":"Ca","xyz":[5.0821780235258975,4.833084548429945,7.882213595796857]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20122312467685702,0.9760200076861871,0.580386888337464],"properties":{"magmom":0.0},"label":"Ca","xyz":[7.688024250294,5.896534855870218,5.680516883674324]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9760200076859741,0.20122312467703501,0.08038688833731501],"properties":{"magmom":0.0},"label":"Ca","xyz":[9.618669782734763,1.1663554562833858,1.8748098570811513]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.798776875323142,0.023979992313812003,0.419613111662535],"properties":{"magmom":0.0},"label":"Ca","xyz":[7.012823555966661,0.10290514884311372,4.0765065692036835]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36374064797079303,0.20196074840372802,0.8215718580333871],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.359453434580824,1.2030041587185547,6.860210702133789]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7980392515965631,0.6362593520288581,0.678428141966655],"properties":{"magmom":0.0},"label":"Ca","xyz":[10.744259220612442,3.808654059768932,6.702519776781483]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.636259352029206,0.7980392515962721,0.17842814196661202],"properties":{"magmom":0.0},"label":"Ca","xyz":[10.341394371679844,4.7964358459947825,2.896812750744221]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.201960748403436,0.36374064797114103,0.32157185803334404],"properties":{"magmom":0.0},"label":"Ca","xyz":[3.9565885856482192,2.1907859449443996,3.0545036760965245]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5708778266608401,0.42912217333877506,0.750000000000078],"properties":{"magmom":0.0},"label":"Yb","xyz":[7.526910809318355,2.5669548305588212,6.7813652394636215]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42912217333915204,0.570877826661224,0.249999999999921],"properties":{"magmom":0.0},"label":"Yb","xyz":[7.173936996942245,3.43248517415451,2.9756582134143796]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18816508953997801,0.599383889926151,0.580007073547484],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.27645656539771,3.6176741941651738,5.259560237027254]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.400616110073897,0.811834910460355,0.919992926452572],"properties":{"magmom":0.0},"label":"Pt","xyz":[8.399611886215778,4.892238931778098,8.303170242228147]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8118349104600211,0.40061611007385506,0.419992926452515],"properties":{"magmom":0.0},"label":"Pt","xyz":[9.424391240862994,2.3817658105482,4.497463215850761]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.599383889926102,0.188165089539644,0.080007073547427],"properties":{"magmom":0.0},"label":"Pt","xyz":[6.301235920044882,1.1072010729352322,1.4538532106498607]}]} | false | -24.738175 | -24.738175 | -0.787034 | 0.001235 | false | null | 0 | null | null | 3.93868 | false | true | false | NM | 0.000154 | 0 | 0.000077 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249782 | NaNpB12 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.067744025757332,0.0,2.925863126850119],[1.689248008585777,4.777913728396329,2.925863126850119],[0.0,0.0,5.851726253700238]],"pbc":[true,true,true],"a":5.851726629607733,"b":5.851725682870847,"c":5.851726253700238,"alpha":59.999996773108386,"beta":60.000002125000115,"gamma":59.99999606477481,"volume":141.68927415470972},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Na","xyz":[3.378496017171554,2.3889568641981644,5.851726253700238]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":3.819},"label":"Np","xyz":[0.0,0.0,0.0]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8990819701227861,0.6009180298750181,0.600918029878243],"properties":{"magmom":-0.004},"label":"B","xyz":[5.571416868045544,2.8711345045807244,7.905202502029093]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399081970122786,0.10091802987501801,0.10091802987824301],"properties":{"magmom":-0.004},"label":"B","xyz":[2.1929208508739886,0.4821776403825594,2.0534762483288542]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8990819701205901,0.899081970124981,0.6009180298772131],"properties":{"magmom":-0.004},"label":"B","xyz":[6.075089710333753,4.295736088013765,8.77758938055035]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39908197012059005,0.39908197012498103,0.100918029877213],"properties":{"magmom":-0.004},"label":"B","xyz":[2.6965936931621988,1.9067792238156005,2.9258631268501105]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6009180298772131,0.899081970124981,0.600918029876041],"properties":{"magmom":-0.004},"label":"B","xyz":[4.564071183469114,4.295736088013765,7.905202502029051]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.100918029877213,0.39908197012498103,0.10091802987604101],"properties":{"magmom":-0.004},"label":"B","xyz":[1.1855751662975589,1.9067792238156005,2.0534762483288134]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.600918029879409,0.6009180298750181,0.8990819701227861],"properties":{"magmom":-0.004},"label":"B","xyz":[4.060398341180903,2.8711345045807244,8.777589380550355]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10091802987940901,0.10091802987501801,0.399081970122786],"properties":{"magmom":-0.004},"label":"B","xyz":[0.681902324009349,0.4821776403825594,2.9258631268501163]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8990819701227861,0.6009180298750181,0.8990819701239581],"properties":{"magmom":-0.004},"label":"B","xyz":[5.571416868045544,2.8711345045807244,9.649976259071652]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399081970122786,0.10091802987501801,0.399081970123958],"properties":{"magmom":-0.004},"label":"B","xyz":[2.1929208508739886,0.4821776403825594,3.7982500053714134]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6009180298772131,0.899081970124981,0.8990819701217561],"properties":{"magmom":-0.004},"label":"B","xyz":[4.564071183469114,4.295736088013765,9.649976259071611]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.100918029877213,0.39908197012498103,0.39908197012175606],"properties":{"magmom":-0.004},"label":"B","xyz":[1.1855751662975589,1.9067792238156005,3.798250005371373]}]} | false | -12.785416 | -12.785416 | -0.303656 | 0 | true | -0.03731 | 0 | null | null | 6.047951 | false | true | true | FM | 3.966093 | 0.027991 | 3.966093 | 1 | 1 | [
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mp-3249783 | Ho8Er2Os3Ru | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.836175380163155,-0.00023808419122000002,-2.378396169249064],[-0.36518892429953703,7.21824832516881,-0.8744282313464681],[0.002967001021241,-0.0008646193308860001,8.35356159462904]],"pbc":[true,true,true],"a":6.302198938672537,"b":7.280185201353679,"c":8.353562166281096,"alpha":96.90544269239035,"beta":112.15184751826129,"gamma":90.06654583964563,"volume":351.955229527822},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7958668297957701,0.584711083768354,0.8175052817839581],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.433713925241115,4.219693486938338,4.424906227269969]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9759376263950721,0.9151306343850931,0.182609819678305],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.362089379298617,6.6052499256603046,-1.595939997653569]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20731053928077603,0.41598250593435104,0.18633163862146002],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.0585413076912997,3.00245456346137,0.699719380846924]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024067226969336,0.086757600306022,0.8183312161925821],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.11120563233082888,0.6255246280897528,6.7028755238526525]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.206173492076338,0.6829054005623331,0.567072499905179],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.9555576745548207,4.928841375363252,3.649561051232447]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6418719028302601,0.818453380653082,0.434299255177066],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.4484754531800568,5.907271421043593,1.3856411616990258]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7921253316773971,0.316410135549062,0.43232198306963404],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.508715581465838,2.2833645445307864,1.4507625046494332]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35976883356010303,0.180391208817326,0.565341487641958],"properties":{"magmom":0.0},"label":"Ho","xyz":[2.0354745062435806,1.3015340804703093,3.7092029577851697]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42254879463120404,0.7502175426993241,0.00029121662749500004],"properties":{"magmom":-0.0},"label":"Er","xyz":[2.192098598775273,5.41515566712211,-1.6585671374241686]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.57805068456787,0.24979792922736202,0.9999483469782141],"properties":{"magmom":-0.0},"label":"Er","xyz":[3.285348584461341,1.8021012848756386,6.75986621267369]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.605257485107465,0.921740853091172,0.7807675706511361],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.1980958207998262,6.652535200091687,4.276651684605931]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8226539039742271,0.577304458049141,0.21931016988175803],"properties":{"magmom":0.0},"label":"Os","xyz":[4.590977960239203,4.166741456723978,-0.6293871975946066]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394592742854378,0.07797808613589301,0.218145866808711],"properties":{"magmom":-0.0},"label":"Os","xyz":[2.275082956652469,0.5625826302228395,0.8156108270383851]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173774606279813,0.422217180821476,0.777723646982529],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.8622975476376528,3.046954650436257,5.714258908109601]}]} | false | -37.175236 | -37.175236 | -0.36939 | 0 | true | -0.000489 | 0 | null | null | 4.022478 | false | true | false | NM | 0.000125 | 0 | 0.000125 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249784 | Yb6Cr2N6Cl | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.914906565789301,0.008828339691074001,-0.623565337765685],[-0.6936764731513371,5.8740977767433,-0.623561878340258],[0.007836080010503,0.008826122018011001,5.947679003119947]],"pbc":[true,true,true],"a":5.947691262335488,"b":5.947692086537725,"c":5.947690713943833,"alpha":95.94241329167797,"beta":95.94241863505643,"gamma":95.94242142153752,"volume":206.7520120448121},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6110290162917871,0.11320248711096001,0.780055156277327],"properties":{"magmom":0.003},"label":"Yb","xyz":[3.5417662129581733,0.6772417115673113,4.187912403841785]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.113202487111017,0.780055156277882,0.611029016291546],"properties":{"magmom":0.003},"label":"Yb","xyz":[0.13326429686667637,4.588512665893479,3.077202644925328]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.780055156277484,0.6110290162924621,0.113202487111316],"properties":{"magmom":0.003},"label":"Yb","xyz":[4.190983976274995,3.5971299169905753,-0.1941377024268307]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38897098370821204,0.8867975128890391,0.219944843722672],"properties":{"magmom":0.003},"label":"Yb","xyz":[1.6872999596902891,5.214510526885068,0.512639383172214]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8867975128889821,0.219944843722117,0.388970983708453],"properties":{"magmom":0.003},"label":"Yb","xyz":[5.0958018757817864,1.3032395725589,1.6233491420886716]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21994484372251502,0.388970983707537,0.886797512888684],"properties":{"magmom":0.003},"label":"Yb","xyz":[1.038082196373466,2.2946223214618042,4.894689489440836]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6215154494142751,0.6215154494152411,0.621515449414182],"properties":{"magmom":0.02},"label":"Cr","xyz":[3.2499454123099243,3.6618150403249685,2.9214655563999266]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37848455058572406,0.37848455058475805,0.37848455058581704],"properties":{"magmom":0.02},"label":"Cr","xyz":[1.979120760338538,2.229937198127411,1.7790862306140727]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.726563511341602,0.848207676868831,0.469315312053019],"properties":{"magmom":-0.001},"label":"N","xyz":[3.7128511662425137,4.9930114126061635,1.8093670337715237]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8482076768686541,0.46931531205230903,0.7265635113413961],"properties":{"magmom":-0.001},"label":"N","xyz":[4.6972095764105095,2.770705034822963,3.4998064967990916]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46931531205263605,0.726563511342135,0.8482076768684471],"properties":{"magmom":-0.001},"label":"N","xyz":[2.2786028298387917,4.279534766087319,4.299160921050906]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27343648865839704,0.151792323131168,0.5306846879469801],"properties":{"magmom":-0.001},"label":"N","xyz":[1.516215006405949,0.8987408258462155,2.891184753242476]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15179232313134602,0.5306846879476901,0.27343648865860304],"properties":{"magmom":-0.001},"label":"N","xyz":[0.5318565962379581,3.121047203629416,1.2007452902149076]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.530684687947363,0.273436488657864,0.151792323131552],"properties":{"magmom":-0.001},"label":"N","xyz":[2.95046334280967,1.6122174723650609,0.4013908659630932]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Cl","xyz":[0.0,0.0,0.0]}]} | false | -22.139536 | -22.139536 | -1.456342 | 0.067087 | false | null | 0 | null | null | 6.439273 | false | true | false | NM | 0.056153 | 0.000272 | 0.056153 | 0 | 0 | [
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mp-3249785 | Yb6YTmBi6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.660098894456984,-7.96773e-9,-2.633332295743542],[-3.822213991470878,6.760135956201206,-2.8131742979141823],[-0.015666970371535,-5.2434789426e-6,8.259688509639902]],"pbc":[true,true,true],"a":8.100095928608935,"b":8.259703842957391,"c":8.25970336817646,"alpha":109.85935108147977,"beta":109.08024552388392,"gamma":109.08024388124281,"volume":427.4349458225411},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500706088961415,0.9984211377075171,0.645129017803661],"properties":{"magmom":0.004},"label":"Yb","xyz":[0.009171699367524022,6.749459245737991,1.2013065377576186]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35516192727064305,0.35302342529598,0.35488437821774704],"properties":{"magmom":-0.004},"label":"Yb","xyz":[1.3656844479169372,2.3864844870660664,1.002858621111245]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502138501974656,0.001860952921703,0.146976574703948],"properties":{"magmom":-0.004},"label":"Yb","xyz":[3.8370149459043508,0.012579520089323616,-0.11355199384667705]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002284951253841,0.646708880096163,0.5015788622924541],"properties":{"magmom":0.004},"label":"Yb","xyz":[-2.4622149985131054,4.371837323496278,2.317563329904908]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8555760711576421,0.8548709821963031,0.8532911199038791],"properties":{"magmom":0.004},"label":"Yb","xyz":[3.2729290010515144,5.7790395836272515,2.3900016836557483]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00027854905302100003,0.14511562178228102,0.49813904707826806],"properties":{"magmom":-0.004},"label":"Yb","xyz":[-0.5603335763556123,0.9809987206330696,3.7055043137143238]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.142429577520779,0.5000000000000281,2.129999999999999e-14],"properties":{"magmom":0.002},"label":"Y","xyz":[-0.8200823464306521,3.3800679769659525,-1.78165155531157]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.642373281130673,0.5000000000000641,6.39e-14],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.0095358648820887,3.380067972982779,-3.098169456080891]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.377594021931479,0.623064301460992,0.7562335362865651],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.49907457091369295,4.211995419028649,3.4991344388207164]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8748075631770781,0.25541254988969003,0.12344631601107602],"properties":{"magmom":0.0},"label":"Bi","xyz":[5.722936995994297,1.726622907915939,-2.0025509114752476]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621360485644878,0.743766463713427,0.36683176517441],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.9111010427589814,5.027960485940289,-0.6986772177346854]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11939501328733101,0.868033766121392,0.24458745011031602],"properties":{"magmom":0.0},"label":"Bi","xyz":[-2.4070651409865107,5.868024990113519,-0.7361208737363083]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254528720470489,0.13316823482550402,0.876935698538964],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.4269787543072714,0.9002307722458499,6.198331557596395]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751362247166071,0.376553683988952,0.631966233878642],"properties":{"magmom":0.0},"label":"Bi","xyz":[4.306339363109072,2.5455507788854494,2.1819466236003473]}]} | false | -45.396414 | -45.396414 | -0.708945 | 0.025469 | false | null | 0 | null | null | 4.777757 | false | true | false | NM | 0.002232 | 0.000005 | 0.002232 | 0 | 0 | [
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mp-3249786 | Nd6Si4IrRh3 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.783329020502555,0.002561645039863,0.0],[-4.298541508628877,3.8690362994390712,0.0],[0.0,0.0,13.452965871260703]],"pbc":[true,true,true],"a":5.7833295878250235,"b":5.783329576272012,"c":13.452965871260703,"alpha":90.0,"beta":90.0,"gamma":137.98483958140235,"volume":301.1704875315598},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7708305852316001,0.229169414768392,0.6042114164332231],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.4728726515707606,0.8886393788053503,8.128435564302238]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5149161142280221,0.48508388577197703,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.8927760883814971,1.878126194634693,3.363241467815176]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22835902393429502,0.771640976065711,0.39562693591074005],"properties":{"magmom":-0.0},"label":"Nd","xyz":[-1.9962553951645146,2.986091921293801,5.322355666558631]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7708305852316001,0.229169414768392,0.895788583566776],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.4728726515707606,0.8886393788053503,12.051013242588805]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48243652096680706,0.517563479033185,0.75],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.5653210342831076,2.003707718764349,10.089724403445528]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22835902393429502,0.771640976065711,0.104373064089259],"properties":{"magmom":-0.0},"label":"Nd","xyz":[-1.9962553951645146,2.986091921293801,1.4041272690717075]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.059393956981992006,0.9406060430180141,0.5868073964401781],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.699739324123658,3.6393910701437457,7.894299877313066]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.059393956981992006,0.9406060430180141,0.9131926035598211],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.699739324123658,3.6393910701437457,12.285148929577979]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.941170196168926,0.058829803831059006,0.41436651581025],"properties":{"magmom":0.0},"label":"Si","xyz":[5.190214555023532,0.23002559047593005,5.574458595388502]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.941170196168926,0.058829803831059006,0.085633484189749],"properties":{"magmom":0.0},"label":"Si","xyz":[5.190214555023532,0.23002559047593005,1.1520243402418364]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18550339087008103,0.814496609129925,0.75],"properties":{"magmom":-0.0},"label":"Ir","xyz":[-2.4283203391618846,3.151792140334817,10.089724403445528]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.815380333471296,0.184619666528703,0.25],"properties":{"magmom":-0.0},"label":"Rh","xyz":[3.922017445428746,0.716388906376727,3.363241467815176]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501127557915083,0.49887244208490905,0.9998125048145351],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.7537616488508375,1.9314392981394006,13.450443504929618]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501127557915083,0.49887244208490905,0.500187495185464],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.7537616488508375,1.9314392981394006,6.729005301961425]}]} | false | -24.957534 | -24.957534 | -0.931023 | 0 | true | -0.013819 | 0 | null | null | 6.298584 | false | true | false | NM | 0.000119 | 0 | 0.000119 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249787 | Sm5Er(RuBr3)2 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.14326935099692,0.0,0.0],[0.0,8.598471365442931,0.297045235551461],[0.0,-0.23001354591674902,11.98671639875781]],"pbc":[true,true,true],"a":4.14326935099692,"b":8.603600740056796,"c":11.988923064877621,"alpha":89.12074649512138,"beta":90.0,"gamma":90.0,"volume":427.3192423008885},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.277597213854441,0.39329509130048],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.03581733774923,2.296448495912474,4.796775650220236]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7225364150682191,0.603985067134694],"properties":{"magmom":-0.0},"label":"Sm","xyz":[3.1074520132476895,6.073783928481453,7.454423708436721]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8631283474551521,0.36468152415939403],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.03581733774923,7.337702689792976,4.62772216924636]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.13798714755191802,0.6339848833352091],"properties":{"magmom":-0.0},"label":"Sm","xyz":[3.1074520132476895,1.0406534259507678,7.640385422386341]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.901043173312366,0.8313402515171331],"properties":{"magmom":-0.0},"label":"Sm","xyz":[1.03581733774923,7.556374405639434,10.23269040746647]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.09994200785342101,0.17386566545336202],"properties":{"magmom":0.0},"label":"Er","xyz":[3.1074520132476895,0.8193570345084101,2.113765720535059]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9405350048742701,0.599880232870724],"properties":{"magmom":0.0},"label":"Ru","xyz":[1.03581733774923,7.949182728120178,7.469975666709433]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.06028321196625801,0.399084070038902],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.1074520132476895,0.4265487298402601,4.801614407716633]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.43124536756909004,0.6292269220685041],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.03581733774923,3.563320228991474,7.670464047088477]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.5686630535848131,0.36699522008080204],"properties":{"magmom":0.0},"label":"Br","xyz":[3.1074520132476895,4.805219110929071,4.567986273509796]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8744091909578271,0.10098532615320001],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.03581733774923,7.495354397176939,1.4702215491308988]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.13487621277824502,0.9057926874419091],"properties":{"magmom":0.0},"label":"Br","xyz":[3.1074520132476895,0.9513846655491528,10.897544396829842]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.327570237473416,0.13987210942473602],"properties":{"magmom":0.0},"label":"Br","xyz":[1.03581733774923,2.7844308272228693,1.773910486120269]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6601834157005511,0.857012949020948],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.1074520132476895,5.479443608540617,10.468875508201128]}]} | false | -23.805798 | -23.805798 | -1.449197 | 0 | true | -0.081454 | 0.0285 | 3.6908 | 3.6623 | 3.675732 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249788 | Ho4ErTm5Ru4 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.791699485248633,0.0010542214557940001,-2.332530374410984],[-0.34860890465501404,7.144432854219052,-0.8656258329834171],[0.005509989265769,-0.00991786725578,8.343783870127298]],"pbc":[true,true,true],"a":6.243755439345939,"b":7.205120197441372,"c":8.343791583894523,"alpha":96.97007061671727,"beta":111.8986184487064,"gamma":89.9903303292311,"volume":345.2895898499828},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.79181457988335,0.08546723723487301,0.8125214506493701],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.560634439237707,0.6033912056892698,4.858589167157033]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.97849854125608,0.414196116275995,0.187185381395643],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.52380843274424,2.9583714156039043,-1.0790820609539578]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20858573495360802,0.9142378480034161,0.18751362685213002],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.8903876370455319,6.530071078143521,0.286652713986818]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.020881086490462,0.586086899128901,0.8126178363598411],"properties":{"magmom":0.0},"label":"Ho","xyz":[-0.07890061850422378,4.17922107502259,6.224269866848158]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.206014944795569,0.18465959316149103,0.567379648754275],"properties":{"magmom":0.0},"label":"Er","xyz":[1.1319289269942063,1.3138780535647219,4.093710931047351]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6386639553097521,0.315897619853856,0.432747275930204],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.5912094108191344,2.253290697060243,1.8475975256230344]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7941205610083201,0.815441292973574,0.43241765721114606],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.317420165112819,5.822414082217892,1.0498220954210735]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36175928831747906,0.6841527562442801,0.5671809868871941],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.8598245021107247,4.882639577681781,3.2964007420945767]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.420510144495637,0.25015441129173804,0.000365659635747],"properties":{"magmom":0.0},"label":"Tm","xyz":[2.3482643468828446,1.7876510789134967,-1.1943418204622098]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5794118328786051,0.7499411245048361,0.9998944449071061],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.099852467918944,5.348598016653913,6.342239031175294]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.601821721010914,0.423784944943612,0.7773985364330611],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.3421188039152496,3.0206274016602257,4.715838728739849]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.822637591479029,0.07626432894698301,0.222096696224404],"properties":{"magmom":-0.0},"label":"Ru","xyz":[4.739107041348969,0.5435298939819735,-0.13171671096303877]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39889917713948303,0.5764673177427321,0.22331380915485902],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.1105729753884805,4.116737775620368,0.43383270968883797]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17638084098168602,0.9232475096937021,0.7773679896050111],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.7039758121198371,6.588555952768767,5.275589929137164]}]} | false | -32.044345 | -32.044345 | -0.419046 | 0 | true | -0.000152 | 0 | null | null | 4.552868 | false | true | false | NM | 0.000439 | 0.000001 | 0.000439 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249789 | Ho3U2O10 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.019811656784781,-0.0016666133733080001,3.961669477779283],[2.223368247363517,4.500571573711602,3.961669477346306],[0.038342206034692,0.023815325330632003,8.270038783809479]],"pbc":[true,true,true],"a":6.394789824408655,"b":6.394789746443787,"c":8.270161956104438,"alpha":51.45386555405011,"beta":51.4538667397708,"gamma":48.96328417419547,"volume":185.91981358648871},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39747432285025003,0.397474322850264,0.9037092193839481],"properties":{"magmom":0.001},"label":"Ho","xyz":[2.9136282327689846,1.8097213317420775,10.623034079493046]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.001},"label":"Ho","xyz":[0.019171103017346,0.011907662665316001,4.1350193919047395]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.602525677149749,0.602525677149735,0.09629078061605101],"properties":{"magmom":0.001},"label":"Ho","xyz":[4.367893877413998,2.712998953926844,5.570343659442006]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.197605601663838,0.197605601663653,0.7054137178149701],"properties":{"magmom":0.602},"label":"U","xyz":[1.4583400410263934,0.9058084786976953,7.399494966374423]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8023943983361611,0.8023943983363461,0.294586282185029],"properties":{"magmom":0.602},"label":"U","xyz":[5.82318206915659,3.616911806971226,8.79388277256063]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235553091328313,0.764446908671743,0.999999999999957],"properties":{"magmom":-0.03},"label":"O","xyz":[2.920421343212198,3.4638707761782546,12.23170826125764]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8552055403040981,0.35355738446142404,0.6062656463777001],"properties":{"magmom":-0.022},"label":"O","xyz":[5.102304564723034,1.6042234307977818,9.802559593596605]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.460429321452601,0.946941825456271,0.20821027838608303],"properties":{"magmom":-0.019},"label":"O","xyz":[4.424652103165613,4.265970699459417,7.297446393646773]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7644469086716861,0.23555309132825603,4.259999999999999e-14],"properties":{"magmom":-0.03},"label":"O","xyz":[4.361100766970786,1.0588495094906667,3.961669477677417]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.053058174543679004,0.5395706785472001,0.79178972161408],"properties":{"magmom":-0.019},"label":"O","xyz":[1.4963653215945916,2.447144760228241,8.895931345078008]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.353557384461538,0.8552055403041051,0.606265646377629],"properties":{"magmom":-0.022},"label":"O","xyz":[3.6994738854690414,3.862762914513421,9.802559593379295]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9469418254563201,0.460429321452799,0.20821027838591902],"properties":{"magmom":-0.019},"label":"O","xyz":[5.785156788588392,2.0755755254406805,7.297446393857045]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.646442615538461,0.14479445969589402,0.39373435362237],"properties":{"magmom":-0.022},"label":"O","xyz":[3.5820482247139416,0.659957371155501,6.390818145555758]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.539570678547391,0.05305817454372801,0.791789721613916],"properties":{"magmom":-0.019},"label":"O","xyz":[2.856870007017336,0.2567495862095048,8.895931345288252]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14479445969590102,0.6464426155385751,0.393734353622299],"properties":{"magmom":-0.022},"label":"O","xyz":[2.17921754545995,2.9184968548711394,6.390818145338449]}]} | false | -25.046826 | -25.046826 | -3.82993 | 0 | true | -0.127195 | 0.3607 | 6.3382 | 5.9775 | 6.015269 | false | false | true | FM | 0.999997 | 0.005379 | 0.999997 | 2 | 1 | [
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mp-3249790 | Sr3DySb3 | 9 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.966166628087575,0.015103277330856,2.796482860963842],[-3.8953719938161893,6.948821422616619,2.796482859934732],[-0.002604969357195,-0.004455940411466,8.488735077275228]],"pbc":[true,true,true],"a":8.442769406249754,"b":8.442769600050205,"c":8.488736646488285,"alpha":70.67430455830569,"beta":70.6743063853505,"gamma":108.91441591650963,"volume":470.5956474978723},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0009219184411290001,0.36556556212311603,0.49429657876157707],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-1.4179573241195584,2.538061177341335,5.22082866449006]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.495526330160146,0.496049327286449,0.145061053545326],"properties":{"magmom":-0.0},"label":"Sr","xyz":[2.014770777998059,3.453795880301167,4.004309184464576]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.639273737948727,0.14165807306789402,0.36199551428909105],"properties":{"magmom":0.0},"label":"Sr","xyz":[4.539807239711144,0.9923987509344546,5.256746444905747]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.365565562123123,0.0009219184411360001,0.9942965787615841],"properties":{"magmom":-0.0},"label":"Sr","xyz":[2.905974853967477,0.0074969583747408215,9.46519620350303]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49604932728645607,0.49552633016013203,0.6450610535453191],"properties":{"magmom":-0.0},"label":"Sr","xyz":[2.0196718439323598,3.4479415954307573,8.24867672310265]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14165807306789402,0.63927373794872,0.861995514289091],"properties":{"magmom":0.0},"label":"Sr","xyz":[-1.3639826728157474,4.440497545691344,9.501113983031239]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.863349918825647,0.00146873049114,0.9963880917490681],"properties":{"magmom":0.0},"label":"Dy","xyz":[6.869272499642455,0.01880551319495146,10.876525075664425]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0014687304911470001,0.86334991882564,0.49638809174907506],"properties":{"magmom":0.0},"label":"Dy","xyz":[-3.3526620186009315,5.997074718036063,6.6321575361399]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6491618327511041,0.8761916811467141,0.7471445476135791],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.7562925036844503,6.094974763880485,10.607937086746842]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8761916811467001,0.6491618327511041,0.247144547613579],"properties":{"magmom":-0.0},"label":"Sb","xyz":[4.45051830343242,4.523041754744101,6.363569548342828]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.225302506785332,0.109134014218668,0.6348144655354481],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.368026055987425,0.7589268867513802,6.324017820108233]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7593693503344171,0.37702601641954203,0.8702987485058951],"properties":{"magmom":-0.0},"label":"Sb","xyz":[4.578339090154346,2.6274774263110556,10.565645680168888]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37702601641953404,0.7593693503344241,0.37029874850590205],"properties":{"magmom":-0.0},"label":"Sb","xyz":[0.04446135277411467,5.28076630861146,6.321278141137857]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10913401421866101,0.225302506785332,0.134814465535448],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-0.00860852056185849,1.5666344417770857,2.079650281351049]}]} | false | -23.343284 | -23.343284 | -1.266465 | 0 | true | -0.022768 | 0.9645 | 4.9892 | 4.0247 | 4.070536 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249791 | Ba2HoBrO3 | 129 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.405481703466141,0.0,0.0],[0.0,4.405481703466141,0.0],[0.0,0.0,15.399705467799585]],"pbc":[true,true,true],"a":4.405481703466141,"b":4.405481703466141,"c":15.399705467799585,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":298.88162684926755},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.658356162253774],"properties":{"magmom":0.0},"label":"Ba","xyz":[0.0,2.2027408517330707,10.138490991618994]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.34164383774622503],"properties":{"magmom":0.0},"label":"Ba","xyz":[2.2027408517330707,0.0,5.261214476180576]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.09288360780382701],"properties":{"magmom":-0.0},"label":"Ba","xyz":[2.2027408517330707,0.0,1.430380202965547]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.907116392196172],"properties":{"magmom":-0.0},"label":"Ba","xyz":[0.0,2.2027408517330707,13.969325264834023]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.210481344807242],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.0,2.2027408517330707,3.2413507164978945]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7895186551927581],"properties":{"magmom":-0.0},"label":"Ho","xyz":[2.2027408517330707,0.0,12.158354751301692]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5767371418116121],"properties":{"magmom":0.0},"label":"Br","xyz":[2.2027408517330707,0.0,8.881582116239386]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.42326285818838705],"properties":{"magmom":0.0},"label":"Br","xyz":[0.0,2.2027408517330707,6.518123351560185]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7678713674328891],"properties":{"magmom":0.0},"label":"O","xyz":[0.0,0.0,11.824992895623007]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7678713674328891],"properties":{"magmom":0.0},"label":"O","xyz":[2.2027408517330707,2.2027408517330707,11.824992895623007]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.23212863256711103],"properties":{"magmom":0.0},"label":"O","xyz":[0.0,0.0,3.5747125721765802]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.9269297960299311],"properties":{"magmom":-0.0},"label":"O","xyz":[2.2027408517330707,0.0,14.274445848188483]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.23212863256711103],"properties":{"magmom":0.0},"label":"O","xyz":[2.2027408517330707,2.2027408517330707,3.5747125721765802]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.07307020397006801],"properties":{"magmom":-0.0},"label":"O","xyz":[0.0,2.2027408517330707,1.1252596196110873]}]} | false | -19.884629 | -19.884629 | -3.162201 | 0 | true | -0.02292 | 3.8503 | 4.941 | 1.0907 | 1.121145 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"O2-",
"Ho3+",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249792 | KEuH6Rh | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.695811375719633,1.19593745e-8,2.711127877597979],[1.565269814638077,4.427253042504142,2.711127877597979],[0.0,0.0,5.422255755195958]],"pbc":[true,true,true],"a":5.422255881552146,"b":5.422255385323364,"c":5.422255755195958,"alpha":59.99999774350595,"beta":60.00000077086533,"gamma":60.000004171726935,"volume":112.72623100808146},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.003},"label":"K","xyz":[1.5652702975894275,1.1068132636158792,2.711127877597979]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":6.705999999999999},"label":"Eu","xyz":[4.695810892768283,3.320439790847637,8.133383632793937]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7828120749227311,0.21718792507704102,0.21718792507716903],"properties":{"magmom":-0.006},"label":"H","xyz":[4.0158955496998185,0.9615459114544342,3.8887763543061094]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21718792507726903,0.782812074922958,0.7828120749228301],"properties":{"magmom":-0.006},"label":"H","xyz":[2.24518564065789,3.465707143009078,6.955735156085799]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21718792507726903,0.782812074922958,0.21718792507693502],"properties":{"magmom":-0.006},"label":"H","xyz":[2.24518564065789,3.465707143009078,3.888776354306074]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7828120749227311,0.21718792507704102,0.782812074923064],"properties":{"magmom":-0.006},"label":"H","xyz":[4.0158955496998185,0.9615459114544342,6.955735156085835]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.217187925077119,0.21718792507665002,0.7828120749231141],"properties":{"magmom":-0.006},"label":"H","xyz":[1.3598312324724353,0.9615459046881921,5.422255755195951]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7828120749228801,0.782812074923349,0.21718792507688503],"properties":{"magmom":-0.006},"label":"H","xyz":[4.901249957885269,3.4657071497753202,5.422255755195955]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.03},"label":"Rh","xyz":[0.0,0.0,0.0]}]} | false | -10.46908 | -10.46908 | -0.535074 | 0 | true | -0.152153 | 0 | null | null | 3.050727 | false | true | true | FM | 6.967622 | 0.06181 | 6.967622 | 1 | 1 | [
"Rh3+",
"K+",
"Eu2+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249793 | AcYb2(AgSn)3 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.827814481693945,-7.3017208e-9,0.0],[-2.413906753479717,4.181009537245894,0.0],[0.0,0.0,11.231984936695874]],"pbc":[true,true,true],"a":4.827814481693945,"b":4.827813849459827,"c":11.231984936695874,"alpha":90.0,"beta":90.0,"gamma":119.99999773987476,"volume":226.71917016627657},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.665467574158356],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.413909817209776,1.3936684472109822,7.4745217688061985]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.011359438410849],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.413909817209776,1.3936684472109822,0.12758904111998048]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.31948346635545005],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.413909817209776,1.3936684472109822,3.588433481627798]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.849827491567516],"properties":{"magmom":0.0},"label":"Ag","xyz":[0.0,0.0,9.54524958407638]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.18598885341523902],"properties":{"magmom":0.0},"label":"Ag","xyz":[0.0,0.0,2.0890239999533016]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.46994061812187404],"properties":{"magmom":0.0},"label":"Ag","xyz":[-2.0889955504266327e-6,2.7873410827331875,5.278365943886437]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8682108953227391],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.0889955504266327e-6,2.7873410827331875,9.751731698140244]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.48131294222185506],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,5.406099716872648]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.148408720426104],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.0889955504266327e-6,2.7873410827331875,1.6669245123003094]}]} | false | -31.650649 | -31.650649 | -0.539269 | 0.002842 | false | null | 0 | null | null | 7.04029 | false | true | false | NM | 0.000061 | 0 | 0.000061 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249794 | ErCdB4Ir5 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.1459578934994274,0.013697182403860001,4.179270573768512],[4.312286171156533,4.392948489255558,1.348293493374669],[-0.009829312785704,0.023475723317344002,5.527565063477129]],"pbc":[true,true,true],"a":7.4323138099949135,"b":6.301722288031822,"c":5.5276236536099335,"alpha":77.54352954520562,"beta":55.88593500552202,"gamma":46.57053944768957,"volume":149.3203836167375},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36907433673079004,0.36907333673305903,0.630925663268968],"properties":{"magmom":-0.0},"label":"Er","xyz":[3.853663613566435,1.641186871841499,5.527563347464067]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.644208403696495,0.6442074036962561,0.35579159630370305],"properties":{"magmom":0.0},"label":"Cd","xyz":[6.733787215186565,2.847146245919706,5.527563073337706]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.285717890539743,0.9769930724947351,0.023005927504911],"properties":{"magmom":-0.0},"label":"B","xyz":[5.968857708054146,4.296333852680426,2.6385325361777716]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.021948474017648,0.709044647797838,0.290953352203345],"properties":{"magmom":0.0},"label":"B","xyz":[3.189637955065346,3.121927587004938,2.6559924814798044]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9769940724958841,0.285715890538945,0.714282109459709],"properties":{"magmom":-0.0},"label":"B","xyz":[7.229632213137886,1.2852855448900362,8.416592287811952]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.709046647797379,0.021947474018524003,0.9780515259813851],"properties":{"magmom":0.0},"label":"B","xyz":[4.442801056222102,0.12908653111442192,8.399132872279175]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9988418503454781,0.9988418503447171,0.0011581496545780001],"properties":{"magmom":-0.0},"label":"Ir","xyz":[10.446120469087083,4.401569304894693,5.5275640682963685]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49976959114539404,0.499770591145249,0.00022940885460800002],"properties":{"magmom":0.0},"label":"Ir","xyz":[5.226714417646011,2.202317284134497,2.7637778545294003]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.247315071042905,0.247316071042703,0.25268492895708],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.5840019669167757,1.0957662417736198,2.7637836336233015]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9997705911453921,0.9997705911452491,0.500230408854605],"properties":{"magmom":0.0},"label":"Ir","xyz":[10.450927929709708,4.417378018795785,8.291352126675168]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7473160710429021,0.747315071042706,0.7526849289570801],"properties":{"magmom":0.0},"label":"Ir","xyz":[7.8082111765236215,3.3108225600107075,8.29135102991053]}]} | false | -31.938823 | -31.938823 | -0.555859 | 0 | true | -0.02447 | 0 | null | null | 7.429001 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249795 | Nd3Y(CI)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.866507778028536,1.1669757000000001e-9,0.0],[-1.933253386988421,3.34849311110336,0.0],[0.0,0.0,15.28678899596295]],"pbc":[true,true,true],"a":3.866507778028536,"b":3.866506792106909,"c":15.28678899596295,"alpha":90.0,"beta":90.0,"gamma":119.99999982759618,"volume":197.91766977897203},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.590529840822398],"properties":{"magmom":-0.004},"label":"Nd","xyz":[-1.5985698040183632e-6,2.2323298572889216,9.027305072471586]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.41368498558033906],"properties":{"magmom":-0.004},"label":"Nd","xyz":[1.9332559896099175,1.1161632549814107,6.323915085364619]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.08323256099944801],"properties":{"magmom":-0.01},"label":"Nd","xyz":[1.9332559896099175,1.1161632549814107,1.272358597592177]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9138258613941581],"properties":{"magmom":-0.008},"label":"Y","xyz":[-1.5985698040183632e-6,2.2323298572889216,13.96946312218658]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9906985967446211],"properties":{"magmom":0.003},"label":"C","xyz":[0.0,0.0,15.14460040703161]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.502297941460035],"properties":{"magmom":0.001},"label":"C","xyz":[0.0,0.0,7.678522644206106]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.24738362207066403],"properties":{"magmom":0.0},"label":"I","xyz":[-1.5985698040183632e-6,2.2323298572889216,3.7817012316512844]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.758347590928345],"properties":{"magmom":-0.0},"label":"I","xyz":[1.9332559896099175,1.1161632549814107,11.592699608118439]}]} | false | -23.107773 | -23.107773 | -0.91034 | 0 | true | -0.050757 | 0 | null | null | 5.722246 | false | true | false | NM | 0.050917 | 0.000257 | 0.050917 | 0 | 0 | [
"Nd3+",
"C4-",
"I-",
"Nd2+",
"Y3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249796 | SrGdBrO2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.371072162925295,0.15479480801928303,1.127785181866114],[4.943208451531684,4.022340073968034,1.127786160825351],[-0.16646282609418903,-0.06145699572676701,8.837835112184708]],"pbc":[true,true,true],"a":6.471971983424226,"b":6.471972735611039,"c":8.839616298514313,"alpha":81.05318053408915,"beta":81.05318675260287,"gamma":37.14502355889986,"volume":220.5463078285244},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38853675001596605,0.388536750017266,0.790828803206395],"properties":{"magmom":0.001},"label":"Sr","xyz":[4.264370221177766,1.5743684490516472,7.865586923624445]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.611463249984034,0.611463249982733,0.20917119679360502],"properties":{"magmom":0.001},"label":"Sr","xyz":[6.88344756718502,2.541309437208899,3.2278195312517273]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.867683956188621,0.8676839561870291,0.46101318354448],"properties":{"magmom":6.88},"label":"Gd","xyz":[9.740478207572892,3.5961004346787644,6.031481566799874]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13231604381137801,0.13231604381297002,0.538986816455519],"properties":{"magmom":6.88},"label":"Gd","xyz":[1.4073395807898887,0.5195774515817823,5.061924888076288]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6596628646283661,0.659662864627783,0.846823919976685],"properties":{"magmom":-0.001},"label":"Br","xyz":[7.322646058415521,2.703457508157149,8.972006827100685]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.340337135371633,0.34033713537221605,0.153176080023314],"properties":{"magmom":-0.001},"label":"Br","xyz":[3.82517172994726,1.4122203781033973,2.1213996277754776]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31939709020066603,0.319397090201462,0.5519921208560771],"properties":{"magmom":-0.022},"label":"O","xyz":[3.52186213755587,1.3002409492729923,5.598838270947704]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9588928306673951,0.9588928306680621,0.668665436319663],"properties":{"magmom":-0.021},"label":"O","xyz":[10.73787462712391,3.9643305222084826,8.072406060976654]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.041107169332605005,0.041107169331937005,0.33133456368033604],"properties":{"magmom":-0.021},"label":"O","xyz":[0.4099431612388774,0.15134736405206412,3.02100039389951]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.680602909799333,0.6806029097985371,0.44800787914392204],"properties":{"magmom":-0.022},"label":"O","xyz":[7.62595565080691,2.8154369369875543,5.494568183928459]}]} | false | -19.966354 | -19.966354 | -3.217032 | 0 | true | -0.004617 | 3.9925 | 4.563 | 0.5705 | 0.639594 | false | false | true | FM | 14.000159 | 0.063479 | 7.00008 | 2 | 1 | [
"Br-",
"O2-",
"Sr2+",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249797 | Pr2FeOsI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.188489385332237,3.1097633e-9,0.0],[-2.094245687333522,3.627338438698312,0.0],[0.0,0.0,17.868809467494586]],"pbc":[true,true,true],"a":4.188489385332237,"b":4.188490079703349,"c":17.868809467494586,"alpha":90.0,"beta":90.0,"gamma":120.00001018478717,"volume":271.48204721815415},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.10684822831716101],"properties":{"magmom":-0.137},"label":"Pr","xyz":[0.0,0.0,1.9092506337387098]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.606848228317161],"properties":{"magmom":-0.137},"label":"Pr","xyz":[0.0,0.0,10.843655367486003]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8928560666653381],"properties":{"magmom":-0.099},"label":"Pr","xyz":[0.0,0.0,15.954274937139571]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.392856066665338],"properties":{"magmom":-0.099},"label":"Pr","xyz":[0.0,0.0,7.019870203392276]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.004614726550052],"properties":{"magmom":2.1},"label":"Fe","xyz":[-2.7573566055819596e-6,2.4182268359482597,0.0824596694674678]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.504614726550052],"properties":{"magmom":2.1},"label":"Fe","xyz":[2.0942464553553184,1.209111605859812,9.016864403214761]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9959088420495161],"properties":{"magmom":0.165},"label":"Os","xyz":[2.0942464553553184,1.209111605859812,17.795705345575964]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.495908842049516],"properties":{"magmom":0.165},"label":"Os","xyz":[-2.7573566055819596e-6,2.4182268359482597,8.86130061182867]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.249773136417921],"properties":{"magmom":-0.007},"label":"I","xyz":[2.0942464553553184,1.209111605859812,4.463148584750364]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7497731364179211],"properties":{"magmom":-0.007},"label":"I","xyz":[-2.7573566055819596e-6,2.4182268359482597,13.397553318497659]}]} | false | -30.749646 | -30.749646 | -0.596603 | 0 | true | -0.007116 | 0 | null | null | 5.47134 | false | true | true | FiM | 3.23725 | 0.011924 | 1.618625 | 8 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249798 | La2B3Ru4C | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.7272638663698014,0.026535344652539,3.697099210938876],[3.255386173103027,4.670212323819025,1.831938416177044],[0.0050311089926980005,-0.0038728719570300003,5.581460564749131]],"pbc":[true,true,true],"a":6.816949324666119,"b":5.980336164986608,"c":5.5814641759169765,"alpha":72.1650764375751,"beta":57.1055231557323,"gamma":51.20707712027088,"volume":148.7155865120433},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998714645902076,0.0012853540979440002,0.9987146459021331],"properties":{"magmom":0.0},"label":"La","xyz":[5.729111270483397,0.028636219942049877,9.268988230408226]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24945900096908902,0.250540999030931,0.24945900096916002],"properties":{"magmom":-0.0},"label":"La","xyz":[2.2455802818547697,1.1757330190942952,2.773595933027639]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32101671155765304,0.67898328844231,0.32101671155751804],"properties":{"magmom":-0.0},"label":"B","xyz":[4.050515291632447,3.1782711538109223,4.222428317221412]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9278525623927291,0.572147437607306,0.9278525623928361],"properties":{"magmom":-0.0},"label":"B","xyz":[7.181285438644213,2.6930774475158,9.657274333856902]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.571259721775206,0.928740278224744,0.571259721775028],"properties":{"magmom":-0.0},"label":"B","xyz":[6.2980374928956815,4.350360450839085,7.00186247026402]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.616971554642681,0.6058171742853701,0.880977133496543],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.510160036058665,2.8422544745369067,8.307963931651067]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6400571473759481,0.6268386628971421,0.365641044613966],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.708217668487401,2.9430377045633898,5.555495673192261]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36564104461398,0.367462145112917,0.640057147375898],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.293574126488728,1.7233497904042978,5.597432964916786]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8809781334965331,0.896234137575412,0.616970554642705],"properties":{"magmom":0.0},"label":"Ru","xyz":[7.966286496468211,4.206591324776297,8.342506129067791]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.678049477274107,0.32195052272592,0.6780494772742071],"properties":{"magmom":-0.0},"label":"C","xyz":[4.934852891730785,1.518943576659497,6.881116136452261]}]} | false | -19.862725 | -19.862725 | -0.545325 | 0 | true | -0.081382 | 0 | null | null | 9.683163 | false | true | false | NM | 0.000042 | 0 | 0.000042 | 0 | 0 | [
"B3-",
"Ru2+",
"C4-",
"La2.50+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249799 | Tm3Mg3Bi2Ir | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.5637414757541395,-3.5362503e-9,0.0],[-3.7818702440034953,6.550391468018871,0.0],[0.0,0.0,4.36276996053235]],"pbc":[true,true,true],"a":7.5637414757541395,"b":7.563740538038932,"c":4.36276996053235,"alpha":90.0,"beta":90.0,"gamma":119.9999998079745,"volume":216.1554777943337},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6217752046656241,0.9999999999999071,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.9210766601217554,6.5503914658195095,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[8.529999999999999e-14,0.621775204665993,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[-2.351473144984857,4.072870995669808,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37822479533429004,0.378224795334112,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.4303974726102002,2.4775204710122534,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22023043310640103,1.279e-13,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[1.6657660611096994,-7.77952140072881e-10,2.181384980266175]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999999999998861,0.220230433105911,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[6.730858553966031,1.4425955464788098,2.181384980266175]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.779769566893712,0.779769566893961,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[2.9489880924290475,5.107795915245513,2.181384980266175]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Bi","xyz":[-3.4526214854466334e-6,4.366929827630962,2.181384980266175]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Bi","xyz":[3.7818746843721263,2.183461636851653,2.181384980266175]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.0,0.0,0.0]}]} | false | -32.623816 | -32.623816 | -0.708821 | 0 | true | -0.021522 | 0 | null | null | 4.75947 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249800 | Pr4TeC4Br | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.603390631046207,-0.17304932285691002,-1.435571826188522],[6.426485177313017,4.067159080008253,-1.435571826004068],[0.10328244792412801,0.028667149693793,6.998755277581222]],"pbc":[true,true,true],"a":7.739661596256566,"b":7.739661567790555,"c":6.999576023231105,"alpha":99.84925647871985,"beta":99.8492575306786,"gamma":33.03198906084773,"volume":224.89133788112164},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8582190984230991,0.44639576023195104,0.152435834419748],"properties":{"magmom":-0.0},"label":"Pr","xyz":[9.409874734811352,1.6714182365435908,-0.8060072343920628]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.55360423976812,0.141780901576837,0.34756416558025904],"properties":{"magmom":-0.0},"label":"Pr","xyz":[5.156319430201837,0.490808316360289,1.4342412209141604]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45295675178966305,0.854874332077812,0.645067124310529],"properties":{"magmom":-0.0},"label":"Pr","xyz":[9.00446845806424,3.4170182786107515,2.637181483406397]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145126667922078,0.547043248210442,0.8549328756894561],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.707319633379274,2.224306331229447,4.989806345275058]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.212276755257043,0.7877232447429561,0.25],"properties":{"magmom":0.0},"label":"Te","xyz":[6.702135460256843,3.174228186057832,0.31411699335208354]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35712476675480004,0.098283760146429,0.023652250167295],"properties":{"magmom":0.0},"label":"C","xyz":[3.349421095705815,0.3386135310306928,-0.4882353399222659]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.901716239853627,0.6428752332450991,0.47634674983275],"properties":{"magmom":0.0},"label":"C","xyz":[11.03672722565999,2.472289961073086,1.1164623277176446]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.104233422449247,0.35498476467753104,0.5267968347584],"properties":{"magmom":0.0},"label":"C","xyz":[3.1282406227171187,1.4408437494691482,3.027681436031342]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.645016235322529,0.8957665775507091,0.973203165241557],"properties":{"magmom":0.0},"label":"C","xyz":[10.761455838719714,3.559504507519459,4.599306392622003]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7697268224597801,0.23027217754022103,0.7499989999999951],"properties":{"magmom":0.0},"label":"Br","xyz":[7.409836178726128,0.8248532059477114,3.8134890688563816]}]} | false | -20.54669 | -20.54669 | -0.938603 | 0 | true | -0.033392 | 0 | null | null | 4.860712 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"C2-",
"Pr3+",
"Te-",
"Br-",
"C3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249801 | ThTa3NbC4 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.321033148255227,0.018344960848683003,-0.433421726227089],[-5.503719466685613,3.107653724301006,-0.441805453758402],[0.0008726886402010001,-0.013776368972736002,6.35325135208442]],"pbc":[true,true,true],"a":6.3359017504768484,"b":6.335900227837142,"c":6.353266348319583,"alpha":94.06644058024074,"beta":93.91499222963694,"gamma":149.3646231003969,"volume":125.37190749294116},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999756133951571,0.00032430004548400005,0.00029891343973500003],"properties":{"magmom":0.0},"label":"Th","xyz":[6.319094404102627,0.019348207779674564,-0.4316553618563175]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372481835984501,0.172868166626017,0.545352002607678],"properties":{"magmom":-0.0},"label":"Ta","xyz":[1.403528061048722,0.536534596118466,3.2269425287919478]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8266613647382781,0.372143230003722,0.198803594728822],"properties":{"magmom":-0.0},"label":"Ta","xyz":[3.177355443164565,1.1689185733916245,0.7403413027051138]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17243584711371002,0.626954673787764,0.7993935209167511],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-2.3599123156572595,1.940508615730114,4.727018530953665]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626215666882131,0.8284803830222671,0.454691049910017],"properties":{"magmom":-0.0},"label":"Nb","xyz":[-0.600996819774044,2.579854058029096,2.2513239007399117]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27629174827735803,0.399733752890981,0.6760295011646981],"properties":{"magmom":0.0},"label":"C","xyz":[-0.4529831745607126,1.2379894153609379,3.998629943764352]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7279704603054,0.600457918301827,0.328428378612905],"properties":{"magmom":-0.0},"label":"C","xyz":[1.297060092372899,1.8748453251651134,1.5057842438792735]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39647717036960706,0.7256333553407971,0.12210952569301901],"properties":{"magmom":0.0},"label":"C","xyz":[-1.4874305234368899,2.2606083314886574,0.28336191580176084]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.601490292933831,0.27340421998115905,0.8748935129263771],"properties":{"magmom":-0.0},"label":"C","xyz":[2.298063461834308,0.8486271024928674,5.176927957388936]}]} | false | -32.186519 | -32.186519 | -0.6561 | 0 | true | -0.000427 | 0 | null | null | 7.179232 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Th3+",
"C4-",
"Ta3+",
"Ta4+",
"Nb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249802 | NdEr(Ni4B)2 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.9596321090752875,0.0,0.0],[-2.479816054537643,4.295167812967527,0.0],[0.0,0.0,6.904826474993262]],"pbc":[true,true,true],"a":4.9596321090752875,"b":4.959632466815953,"c":6.904826474993262,"alpha":90.0,"beta":90.0,"gamma":119.99999761394298,"volume":147.08973592635087},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.0,0.0,3.452413237496631]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0],"properties":{"magmom":0.0},"label":"Ni","xyz":[-2.479816029008795e-6,2.8634466403676053,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.4798185343536714,1.431721172599918,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.29445014498280303],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.4798160545376438,0.0,2.033127156642863]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.29445014498280303],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.2399080272688223,2.1475839064837636,2.033127156642863]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.29445014498280303],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.2399080272688214,2.1475839064837636,2.033127156642863]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.705549855017196],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.4798160545376438,0.0,4.871699318350393]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.705549855017196],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.2399080272688223,2.1475839064837636,4.871699318350393]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.705549855017196],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.2399080272688214,2.1475839064837636,4.871699318350393]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"B","xyz":[2.4798185343536714,1.431721172599918,3.452413237496631]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"B","xyz":[-2.479816029008795e-6,2.8634466403676053,3.452413237496631]}]} | false | -14.954735 | -14.954735 | -0.463911 | 0 | true | -0.016827 | 0 | null | null | 6.872863 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249803 | Nd2PaIr2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.331758961308365,0.034153223187035,-1.077438565218565],[3.15649499651732,5.488978402893233,-1.077438565802769],[0.007244767579125001,0.0042174725111600005,7.313962940081187]],"pbc":[true,true,true],"a":6.422866326538572,"b":6.422866839157289,"c":7.313967744159985,"alpha":99.60011445451178,"beta":99.60011711010117,"gamma":58.85806952520614,"volume":253.46449410219319},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.035089332904561,0.26487650262865203,0.14456709221945901],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.0593059082898535,1.4557095239181912,0.7341635952421875]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7351234973710341,0.9649106670956441,0.35543390778049405],"properties":{"magmom":0.0},"label":"Nd","xyz":[7.702935520972591,5.322979682020637,0.7679480576055435]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.264876502628965,0.035089332904355,0.64456709221951],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.7925632116769776,0.2043694207882579,4.391145065417281]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.964910667095438,0.7351234973713471,0.855432907780539],"properties":{"magmom":0.0},"label":"Nd","xyz":[8.436192817114948,4.071639574673232,4.424922213817654]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41783664698743106,0.5821633530132071,0.25000000000023404],"properties":{"magmom":0.0},"label":"Pa","xyz":[4.485047836762424,3.2108069080334776,0.7510521694626537]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.582163353012568,0.417836646986792,0.7499999999997651],"properties":{"magmom":0.0},"label":"Pa","xyz":[5.010450888642378,2.316542190557945,4.408033639597194]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.503985161017197,0.20615633618290002,0.988614472034228],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.8490062853739904,1.1529698489746485,6.4655557745204]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7938436638164741,0.496014838983015,0.5113855279656221],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.595799958989495,2.7518838129250716,2.3505115047533898]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20615633618352502,0.503985161016984,0.48861547203437505],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.899698773660074,2.7754652898838232,2.808581618269385]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.496014838982802,0.793843663817099,0.011384527965773002],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.646492432786044,4.374379245399302,-1.306477279423477]}]} | false | -48.891843 | -48.891843 | -0.809695 | 0 | true | -0.082227 | 0 | null | null | 6.583918 | false | true | false | NM | 0.000174 | 0.000001 | 0.000087 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249804 | CsTh2(Te2Se)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[12.723688067195264,-0.036159258022659,0.0],[-11.956056006184916,4.3527308261932545,0.0],[0.0,0.0,6.020189375046852]],"pbc":[true,true,true],"a":12.723739447317675,"b":12.723739264395645,"c":6.020189375046852,"alpha":90.0,"beta":90.0,"gamma":160.1582477437225,"volume":330.81221854379305},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49787006633484004,0.502129933665166,0.0],"properties":{"magmom":-0.0},"label":"Cs","xyz":[0.3312498127556771,2.1676338288283823,0.0]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6902006493475951,0.309799350656604,0.0],"properties":{"magmom":-0.0},"label":"Th","xyz":[5.0779193789443395,1.3235160401704873,0.0]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.309664240928235,0.69033575906829,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[-4.313621791356989,2.9936485097319507,3.010094687523426]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.116204207637373,0.8837957923610771,0.25064521339268],"properties":{"magmom":0.0},"label":"Te","xyz":[-9.08816590142609,3.8427233315426745,1.5089316505729629]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.883342709108568,0.116657290892845,0.250972147152396],"properties":{"magmom":0.0},"label":"Te","xyz":[9.844615983683964,0.47583676922838875,1.5108998537195495]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.116204207637373,0.8837957923610771,0.74935478660732],"properties":{"magmom":0.0},"label":"Te","xyz":[-9.08816590142609,3.8427233315426745,4.5112577244738885]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.883342709108568,0.116657290892845,0.7490278528476041],"properties":{"magmom":0.0},"label":"Te","xyz":[9.844615983683964,0.47583676922838875,4.509289521327303]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26936884753372603,0.7306311524650511,0.0],"properties":{"magmom":-0.0},"label":"Se","xyz":[-5.308101787696571,3.170500562250493,0.0]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.730502362363694,0.269497637637023,0.5],"properties":{"magmom":-0.0},"label":"Se","xyz":[6.07255534194211,1.1466362515220587,3.010094687523426]}]} | false | -35.075008 | -35.075008 | -1.480453 | 0 | true | -0.023527 | 0 | null | null | 4.559852 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Th3+",
"Te-",
"Th4+",
"Cs+",
"Se2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249805 | Er4GaSe3 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.222884361468333,0.0034777921417540004,-4.698137934632273],[-1.032366201738427,5.119805393518382,-4.6981819592902],[-0.00007928905909320001,-0.00005812970001,7.022710693831218]],"pbc":[true,true,true],"a":7.025029053401805,"b":7.02503387640171,"c":7.022710694519401,"alpha":131.97308978216074,"beta":131.97295238172666,"gamma":70.22281946989708,"volume":187.8099478654273},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.243727102798928,0.24373782739930702,5.585153715499999e-6],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.0213317781394655,1.2487378752016076,-2.2901489879229517]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.756274389033016,0.7562270514239341,0.0000258349533624],"properties":{"magmom":0.0},"label":"Er","xyz":[3.1692304286807516,3.874365500230171,-7.105792254830755]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499986599212398,0.9999768828661211,0.499948803092834],"properties":{"magmom":0.0},"label":"Er","xyz":[1.5789902131092475,5.121396825883445,-3.536083553508245]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000060587353516400006,0.500033541000931,0.500077448303841],"properties":{"magmom":0.0},"label":"Er","xyz":[-0.5159409373941133,2.5600455615148316,1.1623660348327278]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999601811662651,0.0000728120743219,0.9999653939062931],"properties":{"magmom":0.0},"label":"Ga","xyz":[5.22252193726451,0.003792309622585314,2.324174720613884]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000003138931031,0.49999104580718506,0.9999669132766221],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.0951906768626802,2.5615376224203654,2.3243589820979405]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7501232914737691,0.24988602603195803,0.500048119640716],"properties":{"magmom":0.0},"label":"Se","xyz":[3.659793672304471,1.2819475290845423,-1.186499433475153]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24986753506900003,0.7500728133962291,0.49996190167262],"properties":{"magmom":0.0},"label":"Se","xyz":[0.5306397784486334,3.8410667602721023,-1.1868029118084364]}]} | false | -25.474655 | -25.474655 | -1.714755 | 0 | true | -0.087951 | 0 | null | null | 5.16222 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249806 | EuCuHgPd3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.720841507529415,2.5706813e-9,2.72557896230975],[1.573613510078714,4.450851249384572,2.725578959292006],[0.133164126671316,0.09416130035582601,5.220510617973144]],"pbc":[true,true,true],"a":5.451158153915376,"b":5.451157398808601,"c":5.223057547786275,"alpha":58.54451702256272,"beta":58.54452201365421,"gamma":59.99999976222554,"volume":107.26898260365108},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000655331163061,0.500065533116249,0.49980240065114806],"properties":{"magmom":6.626},"label":"Eu","xyz":[3.2141957542476645,2.2727793480964036,5.335159931654587]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12426092515195102,0.124260925151823,0.6272172245443101],"properties":{"magmom":-0.02},"label":"Cu","xyz":[0.8656776377547746,0.6121264837497737,3.951760106996488]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7532564434608061,0.7532564434611471,0.7402306696170841],"properties":{"magmom":-0.007},"label":"Hg","xyz":[4.8399109707429435,3.422333466836816,7.970501899255225]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12341915472035901,0.6255797888301371,0.12758390172915302],"properties":{"magmom":-0.047},"label":"Pd","xyz":[1.5840526746144403,2.7963760511129103,2.707508875105106]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12341915472035901,0.12341915472030901,0.12758390172915302],"properties":{"magmom":-0.047},"label":"Pd","xyz":[0.7938459165495207,0.5613337653934334,1.3388304165906268]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625579788830194,0.12341915472030901,0.12758390172915302],"properties":{"magmom":-0.047},"label":"Pd","xyz":[3.1644666815025215,0.5613337666843283,2.7075088766205173]}]} | false | -28.432228 | -28.432228 | -0.496087 | 0 | true | -0.052534 | 0 | null | null | 6.185399 | false | true | true | FM | 6.698966 | 0.06245 | 6.698966 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249807 | PrNd3(CBr)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8234296764347913,2e-16,0.0],[-1.911714838217396,3.311186503687634,0.0],[0.0,0.0,14.839973707356187]],"pbc":[true,true,true],"a":3.8234296764347913,"b":3.8234290479703823,"c":14.839973707356187,"alpha":90.0,"beta":90.0,"gamma":120.00000543737981,"volume":187.87538407015538},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.407741523166585],"properties":{"magmom":0.001},"label":"Pr","xyz":[-1.911714819191574e-6,2.2074587728539106,6.050873483189485]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.09132131172326301],"properties":{"magmom":-0.001},"label":"Nd","xyz":[-1.911714819191574e-6,2.2074587728539106,1.3552058648945013]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.593099331021107],"properties":{"magmom":0.001},"label":"Nd","xyz":[1.9117167499322125,1.1037277308337203,8.801578478203771]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9076969432694991],"properties":{"magmom":-0.001},"label":"Nd","xyz":[1.9117167499322125,1.1037277308337203,13.470198772366947]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9994649433668521],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,14.832033480988326]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.502470508935985],"properties":{"magmom":-0.0},"label":"C","xyz":[0.0,0.0,7.456649141331899]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.24753326342771903],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.9117167499322125,1.1037277308337203,3.6733871209634232]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7506721750889791],"properties":{"magmom":0.0},"label":"Br","xyz":[-1.911714819191574e-6,2.2074587728539106,11.13995534116433]}]} | false | -21.614055 | -21.614055 | -1.105278 | 0 | true | -0.162298 | 0 | null | null | 4.891227 | false | true | false | NM | 0.001102 | 0.000006 | 0.001102 | 0 | 0 | [
"Nd3+",
"C4-",
"Pr3+",
"Br-",
"Nd2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249808 | YUPt4 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.2618099565904854,0.10668446113571901,0.0],[-3.599892665868652,3.839113550007592,0.0],[0.0,0.0,5.670137534772967]],"pbc":[true,true,true],"a":5.262891372004802,"b":5.262890845878034,"c":5.670137534772967,"alpha":90.0,"beta":90.0,"gamma":131.99661111863983,"volume":116.71829847536551},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.689952614450973,0.31004738554481204,0.75],"properties":{"magmom":0.031},"label":"Y","xyz":[2.514262226999247,1.2639143418713985,4.252603151079725]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31212999672614905,0.687870003275996,0.25],"properties":{"magmom":2.128},"label":"U","xyz":[-0.8338894553400968,2.674110470725666,1.4175343836932417]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9956754138604751,0.004324586138302,0.001556769085468],"properties":{"magmom":-0.017},"label":"Pt","xyz":[5.22348676026121,0.12282567223551902,0.008827094824486292]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9956754138604751,0.004324586138302,0.498443230914531],"properties":{"magmom":-0.017},"label":"Pt","xyz":[5.22348676026121,0.12282567223551902,2.8262416725619914]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39175058330140905,0.608249416699131,0.75],"properties":{"magmom":-0.001},"label":"Pt","xyz":[-0.12831549447860277,2.3769322773129624,4.252603151079725]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.614816977800515,0.385183022203456,0.25],"properties":{"magmom":-0.024},"label":"Pt","xyz":[1.848432558624278,1.5443527777479025,1.4175343836932417]}]} | false | -52.111825 | -52.111825 | -1.077407 | 0.005835 | false | null | 0 | null | null | 9.202675 | false | true | true | FM | 2.264521 | 0.019402 | 2.264521 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249809 | ErTmNiOs3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.505121437969323,-2.504494799999999e-9,2.601033091645672],[1.5017074746635621,4.247469201039238,2.601033091875705],[-0.035643737334756,-0.025204207515245002,5.263802100067693]],"pbc":[true,true,true],"a":5.20206615823815,"b":5.2020662335527605,"c":5.263983118966541,"alpha":60.38834783554234,"beta":60.388344486693796,"gamma":59.99999677723153,"volume":101.31545205584717},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998177077483376,0.998177077484193,0.005467767550499001],"properties":{"magmom":0.0},"label":"Er","xyz":[5.995684037285389,4.23958858054955,5.221364466259592]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751929468957065,0.751929468956241,0.7442115931281561],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.490185191843811,3.1750399954337674,7.828969409655303]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375037108144049,0.375037108143971,0.8748916755678021],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.2215993354294787,1.5709076138046894,6.556224497027143]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37495016433815903,0.374950164338123,0.37514365458493804],"properties":{"magmom":-0.0},"label":"Os","xyz":[2.2388899660560253,1.5831340754935317,3.9251975272404924]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8749570167387191,0.37495016433855705,0.37514365458443405],"properties":{"magmom":-0.0},"label":"Os","xyz":[4.491481555938021,1.5831340742431232,5.225731896382418]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37495016433862105,0.874957016738918,0.37514365458415],"properties":{"magmom":-0.0},"label":"Os","xyz":[2.989753993691409,3.7068977813745003,5.225731896496625]}]} | false | -40.453588 | -40.453588 | -0.456273 | 0 | true | -0.069026 | 0 | null | null | 6.156482 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249810 | LaPaN2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.437819136450344,-0.002875964227499,5.273483516437817],[1.564969906069333,3.060960101266592,5.273483516691966],[-0.00470422445129,-0.0028759640105340003,6.295094374735838]],"pbc":[true,true,true],"a":6.295096272834577,"b":6.295096182686211,"c":6.295096789385169,"alpha":33.14341291104173,"beta":33.143411053690286,"gamma":33.14341248508794,"volume":66.3761932103223},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Pa","xyz":[2.4990424090341934,1.5276040865142795,8.42103070393281]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23205837488917702,0.23205837488897102,0.23205837489000203],"properties":{"magmom":-0.0},"label":"N","xyz":[1.1598474404388917,0.708986643580506,3.908341400097128]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7679416251108221,0.767941625111028,0.7679416251099981],"properties":{"magmom":-0.0},"label":"N","xyz":[3.8382373776294907,2.34622152944805,12.933720007768484]}]} | false | -33.020295 | -33.020295 | -1.80572 | 0 | true | -0.104152 | 0 | null | null | 11.017115 | false | true | false | NM | 0.000279 | 0.000004 | 0.000279 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249811 | SmCdNi3Pt | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.359239772620623,-6.2015453000000005e-9,2.51680844956511],[1.453080579991204,4.109930553182274,2.516808448642672],[-0.060797994345993006,-0.042990486762773006,5.138921921349048]],"pbc":[true,true,true],"a":5.033616609059518,"b":5.033616700851174,"c":5.139461362029136,"alpha":60.678950877028626,"beta":60.67895214480554,"gamma":59.99999194044886,"volume":93.01314468968783},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24877592314673003,0.24877592314669503,0.253672230559836],"properties":{"magmom":-0.059000000000000004},"label":"Sm","xyz":[1.4305425985061715,1.0115462732239662,2.5558444770799835]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.004432795451016,0.004432795451151,0.9867006136467461],"properties":{"magmom":-0.01},"label":"Cd","xyz":[-0.03422459111058111,-0.024200258236597726,5.092890407366693]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6257394657619311,0.120112735368778,0.628409333109146],"properties":{"magmom":0.299},"label":"Ni","xyz":[2.8640758225404452,0.46663937392125443,5.106513619316635]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12011273536870701,0.6257394657618881,0.6284093331089331],"properties":{"magmom":0.299},"label":"Ni","xyz":[1.3946440519688676,2.5447301248052296,5.106513618848844]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625739465760467,0.6257394657601121,0.62840933310899],"properties":{"magmom":0.299},"label":"Ni","xyz":[3.5987922051901684,2.544730121662261,6.379079246220628]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625199614511117,0.6251996145113591,0.124401156466326],"properties":{"magmom":0.046},"label":"Pt","xyz":[3.626297103060911,2.5641789273704716,3.7863031743627347]}]} | false | -23.360628 | -23.360628 | -0.482164 | 0 | true | -0.010102 | 0 | null | null | 6.231233 | false | true | true | FiM | 0.753868 | 0.008105 | 0.753868 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249812 | CaAc(Cd2Ag)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.817218394959607,0.086508361910426,0.0],[-4.003168876556207,4.2216290791097,0.0],[0.0,0.0,7.978135181584003]],"pbc":[true,true,true],"a":5.817861596096701,"b":5.817861560385646,"c":7.978135181584003,"alpha":90.0,"beta":90.0,"gamma":132.62652743972703,"volume":198.69103615349954},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.928910713455188,0.07108928654511701,0.75],"properties":{"magmom":-0.0},"label":"Ca","xyz":[5.119094070232574,0.38047114347408134,5.983601386188003]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.069116868613235,0.930883131386352,0.25],"properties":{"magmom":0.0},"label":"Ac","xyz":[-3.32441445977811,3.9358224837974287,1.9945337953960007]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362641876036271,0.637358123964588,0.049001926662128006],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-0.44188521301443434,2.7220611445917315,0.3909439950685226]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362641876036271,0.637358123964588,0.450998073337871],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-0.44188521301443434,2.7220611445917315,3.598123595723471]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640472308801982,0.359527691196774,0.562600680732394],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.2865172325661027,1.5731987661849218,4.488504284134222]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640472308801982,0.359527691196774,0.9373993192676051],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.2865172325661027,1.5731987661849218,7.4786984882417755]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.77855979032369,0.22144020967623101,0.25],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.6425897784528956,1.0021903605635532,1.9945337953960007]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.217182257931398,0.782817742069546,0.75],"properties":{"magmom":-0.0},"label":"Ag","xyz":[-1.8703549951714207,3.3235542249334453,5.983601386188003]}]} | false | -25.166678 | -25.166678 | -0.315743 | 0.003182 | false | null | 0 | null | null | 4.518847 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249813 | NaPmS2 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.773540742638093,0.0,0.0],[0.0,5.773540742638093,0.0],[0.0,0.0,5.540701756186454]],"pbc":[true,true,true],"a":5.773540742638093,"b":5.773540742638093,"c":5.540701756186454,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":184.69249297745213},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000299999999903,0.25000299999999903,0.001047517899337],"properties":{"magmom":0.0},"label":"Na","xyz":[1.4434025062817455,1.4434025062817455,0.005803984264493261]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500020000000021,0.7500020000000021,0.9989544821006641],"properties":{"magmom":0.0},"label":"Na","xyz":[4.330167104060067,4.330167104060067,5.534908853325479]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500020000000021,0.25000299999999903,0.5],"properties":{"magmom":0.0},"label":"Pm","xyz":[4.330167104060067,1.4434025062817455,2.770350878093227]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000299999999903,0.7500020000000021,0.5],"properties":{"magmom":0.0},"label":"Pm","xyz":[1.4434025062817455,4.330167104060067,2.770350878093227]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500020000000021,0.7500020000000021,0.49899664717053505],"properties":{"magmom":0.0},"label":"S","xyz":[4.330167104060067,4.330167104060067,2.764791599308936]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000299999999903,0.25000299999999903,0.501002352829466],"properties":{"magmom":0.0},"label":"S","xyz":[1.4434025062817455,1.4434025062817455,2.775904616175768]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500020000000021,0.25000299999999903,0.0],"properties":{"magmom":-0.0},"label":"S","xyz":[4.330167104060067,1.4434025062817455,0.0]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000299999999903,0.7500020000000021,0.0],"properties":{"magmom":-0.0},"label":"S","xyz":[1.4434025062817455,4.330167104060067,0.0]}]} | false | -14.28726 | -14.28726 | -1.994044 | 0 | true | -0.059727 | 0.6683 | 2.983 | 2.3147 | 2.362331 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Na+",
"Pm3+",
"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249814 | LuUTeN2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.696513938742264,-0.031551250846918004,-5.708137351089286],[-0.34921759971959004,3.680117908553122,-5.7081373542229255],[0.028945380844399002,0.03155124932579,6.800457624673989]],"pbc":[true,true,true],"a":6.800591356613516,"b":6.8005920924197785,"c":6.80059241694375,"alpha":146.82992287234038,"beta":146.82993810254393,"gamma":47.61566250601911,"volume":93.77771403755403},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.336266594021772,0.33626659402269604,0.999999999998721],"properties":{"magmom":-0.005},"label":"Lu","xyz":[1.1545293199487405,1.258442332377416,2.9615458130877705]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.668636694093379,0.6686366940921,1.7835e-12],"properties":{"magmom":-1.116},"label":"U","xyz":[2.238125158275489,2.439565548183355,-7.633340177802392]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0017696598640240002,0.0017696598648340002,0.9999999999988631],"properties":{"magmom":0.048},"label":"Te","xyz":[0.034868956828246124,0.03800797130409389,6.78025470151897]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.746663026010416,0.24666302601018203,0.5000000000003191],"properties":{"magmom":0.064},"label":"N","xyz":[2.6883839037303425,0.899966491629107,-2.2698127277826234]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.246663026010416,0.7466630260101821,0.5000000000003191],"properties":{"magmom":0.064},"label":"N","xyz":[0.6655181344994155,2.7558010713291274,-2.269812729349444]}]} | false | -34.149622 | -34.149622 | -1.810294 | 0 | true | -0.031121 | 0 | null | null | 7.088542 | false | true | true | FM | 1.000066 | 0.010664 | 1.000066 | 1 | 1 | [
"U5+",
"Lu3+",
"N3-",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249815 | Rb2YbMgSb2 | 115 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.115109790103514,0.0,0.0],[0.0,5.115109790103514,0.0],[0.0,0.0,8.509296560297992]],"pbc":[true,true,true],"a":5.115109790103514,"b":5.115109790103514,"c":8.509296560297992,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":222.64019784128072},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.6435632584094151],"properties":{"magmom":-0.0},"label":"Rb","xyz":[2.557554895051757,0.0,5.476270621117403]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.356436741590584],"properties":{"magmom":-0.0},"label":"Rb","xyz":[0.0,2.557554895051757,3.0330259391805807]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.001},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Mg","xyz":[2.557554895051757,2.557554895051757,0.0]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.8054211351657511],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.0,2.557554895051757,6.85356729505723]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.19457886483424802],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.557554895051757,0.0,1.6557292652407547]}]} | false | -20.665752 | -20.665752 | -0.670246 | 0.07138 | false | null | 0 | null | null | 3.813742 | false | true | false | NM | 0.001195 | 0.000005 | 0.001195 | 0 | 0 | [
"Mg2+",
"Rb+",
"Sb3-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249816 | Th2RhI2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.201735831319002,0.0,0.0],[-2.100867915659501,3.63881106075722,0.0],[0.0,0.0,11.617352888113121]],"pbc":[true,true,true],"a":4.201735831319002,"b":4.201736776017339,"c":11.617352888113121,"alpha":90.0,"beta":90.0,"gamma":119.99999256251168,"volume":177.62145858982427},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8682771769537251],"properties":{"magmom":-0.0},"label":"Th","xyz":[-2.100867894460731e-6,2.425875253441819,10.087082369366065]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.131722823046274],"properties":{"magmom":-0.0},"label":"Th","xyz":[2.1008700165273937,1.2129358073153975,1.530270518747045]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.0,0.0,0.0]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.668247403001302],"properties":{"magmom":0.0},"label":"I","xyz":[2.1008700165273937,1.2129358073153975,7.763265897231269]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.331752596998704],"properties":{"magmom":0.0},"label":"I","xyz":[-2.100867894460731e-6,2.425875253441819,3.8540869908819224]}]} | false | -45.260307 | -45.260307 | -1.219483 | 0 | true | -0.077779 | 0 | null | null | 5.700058 | false | true | false | NM | 0.000009 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249817 | DyErFeIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.59945548668504,-0.028581654630113,2.21276891891696],[1.379150159755969,4.387909861869096,2.212768918748045],[-0.039198188001406,-0.028581647728896,5.103899660843388]],"pbc":[true,true,true],"a":5.1041310693891315,"b":5.104131111836801,"c":5.104130205675277,"alpha":64.7469751775016,"beta":64.74697380510301,"gamma":64.74699025451895,"volume":103.79480854215672},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25150681855115603,0.25150681855115603,0.25150681855120605],"properties":{"magmom":-0.151},"label":"Dy","xyz":[1.49380147395115,1.089212289133745,2.3967185078321878]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9978271905110171,0.9978271905110171,0.997827190510939],"properties":{"magmom":-0.168},"label":"Er","xyz":[5.926502257554972,4.321336672291205,9.508731846286567]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625147465499992,0.625147465499992,0.625147465499971],"properties":{"magmom":2.855},"label":"Fe","xyz":[3.7130055192152676,2.7073552354005415,5.957303699832999]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625297324727597,0.625297324727597,0.12492487598267801],"properties":{"magmom":0.108},"label":"Ir","xyz":[3.733509287546047,2.7223057067981746,3.4048810025315746]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625297324727718,0.12492487598250701,0.625297324727604],"properties":{"magmom":0.108},"label":"Ir","xyz":[3.0238068516056997,0.5124150352787296,4.851523171595462]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12492487598252201,0.625297324727718,0.625297324727597],"properties":{"magmom":0.108},"label":"Ir","xyz":[1.4124547894630228,2.722305710251889,4.851523171510938]}]} | false | -40.399652 | -40.399652 | -0.833204 | 0 | true | -0.020177 | 0 | null | null | 6.925947 | false | true | true | FiM | 2.835712 | 0.02732 | 2.835712 | 3 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249818 | Th2GePtI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.317832252145503,-5.4759547e-9,0.0],[-2.158915135555929,3.739351819300199,0.0],[0.0,-1e-16,12.103319530341377]],"pbc":[true,true,true],"a":4.317832252145503,"b":4.31783123697953,"c":12.103319530341377,"alpha":90.0,"beta":90.0,"gamma":119.99999267296629,"volume":195.41891268023096},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.161659415369577],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,-1.61659415369577e-17,1.9566155593061705]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.844412676938695],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,-8.44412676938695e-17,10.220196444459951]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.022876072397394],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.1589186151607977,1.2464493563321664,0.2768764138248821]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9739195355151861],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-1.4985712259783235e-6,2.4929024574920744,11.787659335181953]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.658824942954304],"properties":{"magmom":0.0},"label":"I","xyz":[2.1589186151607977,1.2464493563321664,7.973968799134871]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.338307356824856],"properties":{"magmom":0.0},"label":"I","xyz":[-1.4985712259783235e-6,2.4929024574920744,4.094642039116449]}]} | false | -44.936644 | -44.936644 | -1.36538 | 0 | true | -0.130787 | 0.6741 | 6.6277 | 5.9536 | 5.977812 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249819 | NaCePt4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.681030555553109,5.090731e-10,2.702593777492228],[1.56034351899766,4.413317802615674,2.702593777492228],[1.4398765000000001e-9,1.0181464000000001e-9,5.4051885499931664]],"pbc":[true,true,true],"a":5.405188265746306,"b":5.4051881604900816,"c":5.4051885499931664,"alpha":60.00000369042946,"beta":60.0000043345971,"gamma":60.00000224556357,"volume":111.66511719942072},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.011},"label":"Na","xyz":[1.5603435189976615,1.1033294510357232,2.7025940262444057]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.674},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6245860082025201,0.6245860082024991,0.12624297539249302],"properties":{"magmom":0.004},"label":"Pt","xyz":[3.898274919104104,2.756496549711242,4.058371603662197]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624586008202456,0.12624297539262802,0.6245860082024991],"properties":{"magmom":0.004},"label":"Pt","xyz":[3.1206885983388366,0.5571503717093376,5.405190879046974]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12624297539259202,0.624586008202456,0.6245860082025201],"properties":{"magmom":0.004},"label":"Pt","xyz":[1.5655159560913108,2.7564965499647456,5.405190879046991]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624586008202427,0.6245860082024061,0.624586008202484],"properties":{"magmom":0.004},"label":"Pt","xyz":[3.898274919821076,2.756496550218218,6.752009658575126]}]} | false | -40.951754 | -40.951754 | -0.892475 | 0 | true | -0.084851 | 0 | null | null | 8.401357 | false | true | true | FM | 0.865505 | 0.007751 | 0.865505 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249820 | Pa(MnSi)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.713139758086241,0.06431380888052,-4.532639985130606],[-0.424816117946262,3.689320327614033,-4.53264000752585],[-0.056341380117886,-0.06431381712133001,5.859101205517519]],"pbc":[true,true,true],"a":5.8597242566436725,"b":5.859725134478322,"c":5.859725040877187,"alpha":141.22901758229352,"beta":141.22902828865207,"gamma":55.9918648728137,"volume":78.29168641987349},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.051000000000000004},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":2.465},"label":"Mn","xyz":[2.650480099019172,0.9384085300032333,-1.6030893879706576]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":2.465},"label":"Mn","xyz":[0.5815021610029207,2.7509117893699897,-1.603089399168279]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6146803493482831,0.614680349349733,0.999999999999801],"properties":{"magmom":-0.082},"label":"Si","xyz":[1.9649265437729695,2.242971325230145,0.28685173268371017]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38531965065171603,0.385319650650267,1.99e-13],"properties":{"magmom":-0.082},"label":"Si","xyz":[1.2670557162491203,1.4463489941430783,-3.4930305198226423]}]} | false | -25.337953 | -25.337953 | -0.58391 | 0 | true | -0.134732 | 0 | null | null | 10.565139 | false | true | true | FM | 4.661081 | 0.059535 | 4.661081 | 2 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249821 | Yb2FeRh3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.591836393783446,0.077286759162248,1.9821434154825122],[1.33256480236382,4.394925762636904,1.982133416741765],[0.10239274904404101,0.077283758854141,5.000341121999567]],"pbc":[true,true,true],"a":5.001982330032428,"b":5.001995031320291,"c":5.001986444483762,"alpha":65.47015859704004,"beta":65.46985960348663,"gamma":65.47009370057752,"volume":99.02022949975766},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37451813511339005,0.374517135111176,0.374517135111865],"properties":{"magmom":-0.256},"label":"Yb","xyz":[2.257142194105061,1.7038643905162056,3.357405015733375]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6254818648866091,0.6254828648888161,0.6254828648881271],"properties":{"magmom":-0.256},"label":"Yb","xyz":[3.7696517510862306,2.845631890137052,5.607212938490412]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.983},"label":"Fe","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.23700000000000002},"label":"Rh","xyz":[2.295918196891723,0.038643379581124,0.9910717077412561]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.23700000000000002},"label":"Rh","xyz":[0.66628240118191,2.197462881318452,0.9910667083708825]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.23700000000000002},"label":"Rh","xyz":[0.051196374522020506,0.0386418794270705,2.5001705609997833]}]} | false | -27.395692 | -27.395692 | -0.748887 | 0.055443 | false | null | 0 | null | null | 7.510736 | false | true | true | FiM | 3.247908 | 0.0328 | 3.247908 | 6 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249822 | LaYbNiPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7316113299721785,5.3817099e-9,2.73179658775821],[1.577203779548829,4.197031435054496,2.731796591094546],[8.674313200000001e-9,1.0763423700000001e-8,5.463595145471072]],"pbc":[true,true,true],"a":5.463593906469302,"b":5.250272111440939,"c":5.463595145471072,"alpha":58.64660034762899,"beta":60.00000433464221,"gamma":58.64659886497139,"volume":108.5000140913754},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49959290700513004,0.5012202789846041,0.49959290700513004],"properties":{"magmom":0.0},"label":"La","xyz":[3.1544059818938717,2.1036372748511623,5.463591429567427]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7523862486646491,0.7428422540060561,0.752386248664024],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.731612915850275,3.117732303497531,8.195393979712975]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.123828576672387,0.628516269982846,0.123828576672941],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.5772069339563999,2.6379025445604327,2.731802297388054]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12389242463395701,0.125806732342752,0.6264094183890161],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.784633659273103,0.5280148177930803,4.104574762802395]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6264094183908491,0.125806732342162,0.12389242463417101],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.1623487560768515,0.5280148150862015,2.731799564040686]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12389242463304101,0.12580673234158002,0.12389242463471802],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7846336549079306,0.5280148123793582,1.359025355203991]}]} | false | -39.815993 | -39.815993 | -1.029489 | 0.061766 | false | null | 0 | null | null | 9.173636 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249823 | Ho2BeCoSi4 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.430293703333085,-0.063458043492682,0.0],[-7.486275178017296,3.87679932795783,0.0],[0.0,0.0,3.906719721133903]],"pbc":[true,true,true],"a":8.430532536426234,"b":8.430533142705281,"c":3.906719721133903,"alpha":90.0,"beta":90.0,"gamma":153.0537075584775,"volume":125.82564646073543},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10161260320880601,0.8983873967953571,0.25],"properties":{"magmom":0.0},"label":"Ho","xyz":[-5.868951179862177,3.4764195191481955,0.9766799302834758]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8869023249554641,0.11309767503979601,0.75],"properties":{"magmom":-0.0},"label":"Ho","xyz":[6.63016676820163,0.3821759042770896,2.930039790850427]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.330191742743949,0.6698082572482771,0.25],"properties":{"magmom":0.0},"label":"Be","xyz":[-2.230755560521909,2.575758879588756,0.9766799302834758]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.680451254087273,0.31954874591367805,0.75],"properties":{"magmom":0.0},"label":"Co","xyz":[3.344174078056915,1.1956462581313942,2.930039790850427]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24714870710810202,0.7528512928875981,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.55251575736231,2.9029698129139976,2.930039790850427]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7469649565191571,0.253035043489141,0.25],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.402844004312638,0.9335651518501802,0.9766799302834758]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544280323950026,0.45571967605219005,0.75],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.176800088880402,1.7321947693868585,2.930039790850427]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46244808742720506,0.5375519125739671,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[-0.12568834044221852,2.0546348425641385,0.9766799302834758]}]} | false | -15.473183 | -15.473183 | -0.66944 | 0 | true | -0.039843 | 0 | null | null | 7.322361 | false | true | false | NM | 0.000018 | 0 | 0.000018 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249824 | Ho4GeAsSe2 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.258908561372588,0.0019371231904210002,-4.737583993971141],[-1.040476741462792,5.154952019197444,-4.737583994225637],[-0.001584694980457,-0.001937122330388,7.078194210699655]],"pbc":[true,true,true],"a":7.078193633212905,"b":7.078193574076353,"c":7.0781946531642665,"alpha":132.027515705492,"beta":132.0275161704498,"gamma":70.18557579287427,"volume":191.8035171488986},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7571487835510311,0.7571487835510731,1.4708000000000002e-12],"properties":{"magmom":-0.0},"label":"Ho","xyz":[3.1939805209376186,3.904532341066706,-7.174111916194649]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.242852216448966,0.24285221644892302,0.9999999999985291],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.0228708224235294,1.2504248358798937,4.777128663529569]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0048142921035740005,0.5048142921035961,0.5000000000005891],"properties":{"magmom":-0.0},"label":"Ho","xyz":[-0.5007219552215914,2.601334219110845,1.124688881815461]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.495185707896425,0.995185707896403,0.49999999999940903],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.5678764287332363,5.130125248950139,-3.5216626594398357]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ge","xyz":[0.0,0.0,0.0]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"As","xyz":[0.5335772367558246,3.865729734030494,-1.1984868888121856]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.109215909954898,2.5784445711939328,-4.737583994098388]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Se","xyz":[3.6832698881735144,1.2892222860269829,-1.1984868886849371]}]} | false | -25.401919 | -25.401919 | -1.810919 | 0 | true | -0.094458 | 0 | null | null | 5.041973 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Ho3+",
"Se2-",
"Ho2+",
"As2-",
"Ge4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249825 | Dy2Si2NiRh3 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.739673674819302,0.072431930076972,0.0],[-7.868525137153009,3.804401187151784,0.0],[0.0,0.0,4.018584414751595]],"pbc":[true,true,true],"a":8.73997381728482,"b":8.739974612480902,"c":4.018584414751595,"alpha":90.0,"beta":90.0,"gamma":153.72157411382807,"volume":135.90513871242527},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09865296706875101,0.9013470329316811,0.75],"properties":{"magmom":0.0},"label":"Dy","xyz":[-6.230077046687635,3.4362313469336354,3.013938311063696]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.901906381519843,0.098093618479467,0.25],"properties":{"magmom":0.0},"label":"Dy","xyz":[7.110515356920524,0.43851429855751856,1.0046461036878986]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32458512901708003,0.675414870976304,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-2.477750782975603,2.59305946433121,3.013938311063696]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6731603955454301,0.32683960446082205,0.25],"properties":{"magmom":-0.0},"label":"Si","xyz":[3.311456544362219,1.2921872859197043,1.0046461036878986]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.542304794924923,0.45769520507077005,0.25],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.138180713679875,1.7805363645113255,1.0046461036878986]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46169022848096103,0.538309771523053,0.75],"properties":{"magmom":-0.0},"label":"Rh","xyz":[-0.20068203302787144,2.081387448184263,3.013938311063696]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24872015590645402,0.7512798440925721,0.25],"properties":{"magmom":0.0},"label":"Rh","xyz":[-3.737731339306208,2.8761852116903386,1.0046461036878986]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7489809475365441,0.251019052465324,0.75],"properties":{"magmom":0.0},"label":"Rh","xyz":[4.570699345898619,1.009227316817746,3.013938311063696]}]} | false | -21.777891 | -21.777891 | -1.040199 | 0 | true | -0.033021 | 0 | null | null | 7.70635 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249826 | Li3AcSb2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.709305776987504,0.0,0.0],[-2.354652888493752,4.078378054863447,0.0],[0.0,0.0,7.690557632364087]],"pbc":[true,true,true],"a":4.709305776987504,"b":4.70930544599559,"c":7.690557632364087,"alpha":90.0,"beta":90.0,"gamma":120.00000232499775,"volume":147.70738265319486},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[0.0,0.0,3.8452788161820437]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.36095659725649604],"properties":{"magmom":-0.0},"label":"Li","xyz":[2.3546552431466146,1.3594579921618097,2.7759575139831156]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.639043402743503],"properties":{"magmom":-0.0},"label":"Li","xyz":[-2.354652864863694e-6,2.7189200627016334,4.914600118380965]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.266659546513537],"properties":{"magmom":0.0},"label":"Sb","xyz":[-2.354652864863694e-6,2.7189200627016334,2.0507606106824285]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.733340453486462],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.3546552431466146,1.3594579921618097,5.639797021681652]}]} | false | -22.228471 | -22.228471 | -1.026766 | 0 | true | -0.518863 | 0.566 | 5.4076 | 4.8416 | 4.926945 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sb3-",
"Li+",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249827 | HoZr(Ga2Ni)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.254063263919034,0.07391964422229501,0.0],[-3.709379564322758,3.72171365975949,0.0],[0.0,0.0,6.41852557454837]],"pbc":[true,true,true],"a":5.254583227532463,"b":5.254583648345097,"c":6.41852557454837,"alpha":90.0,"beta":90.0,"gamma":134.09885717700018,"volume":127.26854716036098},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.424329378314922,0.5756706216841321,0.75],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.09407255854993628,2.1738474929221785,4.813894180911277]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.576791077605008,0.42320892239574404,0.25],"properties":{"magmom":0.0},"label":"Zr","xyz":[1.4606542836269163,1.6176986186594908,1.6046313936370924]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8618246925332821,0.13817530746432202,0.445158247903911],"properties":{"magmom":0.0},"label":"Ga","xyz":[4.015536795175264,0.5779547038854836,2.857259598892396]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13561266494017502,0.864387335061863,0.545933945963142],"properties":{"magmom":-0.0},"label":"Ga","xyz":[-2.4938231953535492,3.227026592167254,3.5040909941785348]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8618246925332821,0.13817530746432202,0.054841752096088006],"properties":{"magmom":0.0},"label":"Ga","xyz":[4.015536795175264,0.5779547038854836,0.3520031883817825]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13561266494017502,0.864387335061863,0.9540660540368571],"properties":{"magmom":-0.0},"label":"Ga","xyz":[-2.4938231953535492,3.227026592167254,6.123697367644014]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29611011474903304,0.7038898852511151,0.25],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.0552134799062334,2.6415649552384863,1.6046313936370924]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.70789471438411,0.292105285616642,0.75],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.6357942364709745,1.1394595570015205,4.813894180911277]}]} | false | -16.348111 | -16.348111 | -0.677402 | 0 | true | -0.010555 | 0 | null | null | 7.191087 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249828 | Th4AlAg | 97 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.010385312173295,-0.18882652711314601,-1.336490771295708],[-3.898704494545544,4.5782633055896325,-1.336490768558836],[0.09084105560778101,0.188826524574138,6.156516060467309]],"pbc":[true,true,true],"a":6.160080733228152,"b":6.160081103811956,"c":6.160080969967733,"alpha":101.73501004044384,"beta":101.73501205822528,"gamma":126.38645510157527,"volume":167.95680509220566},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15704993952822102,0.6570499395282211,0.814098879056501],"properties":{"magmom":0.0},"label":"Th","xyz":[-1.5437593010188257,3.1322158954094386,3.9239758502461566]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8429500604717781,0.342950060471778,0.185901120943498],"properties":{"magmom":0.0},"label":"Th","xyz":[3.7462811742543556,1.4460474076411818,-0.44044132963339516]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34295006047174303,0.157049939528235,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[1.4943912289653623,0.7486711686821355,2.4100126450156556]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6570499395282561,0.842950060471764,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[0.7081306442701679,3.8295921343684847,1.073521875597112]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":-0.0},"label":"Al","xyz":[0.5279202044069377,1.0973591946191217,-0.6682453849636361]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.0],"properties":{"magmom":-0.0},"label":"Ag","xyz":[1.583760613220813,3.292077583857365,-2.004736154890908]}]} | false | -53.844939 | -53.844939 | -0.180102 | 0 | true | -0.007222 | 0 | null | null | 7.495398 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249829 | Nd2SiRhBr2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.184298755706268,4e-16,1e-16],[-2.092149377853134,3.623710331497281,1e-16],[2e-16,1e-16,11.050218760262192]],"pbc":[true,true,true],"a":4.184298755706268,"b":4.184299891959394,"c":11.050218760262192,"alpha":90.0,"beta":90.0,"gamma":119.99999101714741,"volume":167.55100426722342},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.17683519087074],"properties":{"magmom":-0.007},"label":"Nd","xyz":[3.5367038174148e-17,1.7683519087074e-17,1.9540675436343968]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.821630139636859],"properties":{"magmom":0.017},"label":"Nd","xyz":[1.643260279273718e-16,8.21630139636859e-17,9.079192783012065]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9928961132782271],"properties":{"magmom":0.013000000000000001},"label":"Si","xyz":[2.092151470002489,1.2079022359289946,10.97171925793848]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0077651951664130005],"properties":{"magmom":0.064},"label":"Rh","xyz":[-2.0921493568527705e-6,2.4158080955682837,0.08580710530499433]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6516386238899651],"properties":{"magmom":0.001},"label":"Br","xyz":[-2.0921493567239956e-6,2.4158080955682837,7.200749346620331]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.349233737157774],"properties":{"magmom":-0.0},"label":"Br","xyz":[2.092151470002489,1.2079022359289946,3.85910919405731]}]} | false | -21.290405 | -21.290405 | -1.579777 | 0 | true | -0.081305 | 0 | null | null | 3.811444 | false | true | false | NM | 0.11681 | 0.000697 | 0.11681 | 0 | 0 | [
"Nd3+",
"Br-",
"Si4-",
"Nd2+",
"Rh+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249830 | LaAg4Pd | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.747622147900219,-0.040299148788994,2.880342137506691],[1.601829697512979,4.469415522076152,2.8803421312005333],[-0.057772779726551,-0.040299157480678006,5.55274166925188]],"pbc":[true,true,true],"a":5.553189255709048,"b":5.553188658921881,"c":5.553188432028679,"alpha":59.349540956211484,"beta":59.34955202911269,"gamma":59.34954733234048,"volume":119.29819160792707},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9969704375575931,0.996970437557507,0.996970437557365],"properties":{"magmom":-0.0},"label":"La","xyz":[6.272618031089441,4.375521020002508,11.279151207640997]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625134292572177,0.12894221736338102,0.6251342925718291],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.138329140079175,0.5259115825624192,5.643207580900132]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12894221736269101,0.625134292572191,0.625134292572397],"properties":{"magmom":-0.0},"label":"Ag","xyz":[1.5774118559420804,2.7635962636986156,5.643207577772273]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6251342925723761,0.6251342925718071,0.128942217363366],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.961810737282649,2.7635962680096178,4.317184108328763]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.247769791922706,0.24776979192274903,0.247769791922813],"properties":{"magmom":0.0},"label":"Ag","xyz":[1.5588880129496887,1.0874163283473492,2.8031251905817904]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626048968012447,0.6260489680123691,0.6260489680122341],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.9388991861385296,2.747614488750568,7.082758633143141]}]} | false | -23.343445 | -23.343445 | -0.321988 | 0 | true | -0.002573 | 0 | null | null | 8.69345 | false | true | false | NM | 0.000012 | 0 | 0.000012 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249831 | YHoIr3Rh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6539209614729184,0.067214124090105,2.568295719125503],[1.546714191420258,4.389894491209981,2.5682957193242593],[0.093506904610077,0.067214116732697,5.314732257595782]],"pbc":[true,true,true],"a":5.315979773756913,"b":5.3159798095737605,"c":5.315979707318969,"alpha":60.09436110092902,"beta":60.09436054396441,"gamma":60.0943709440743,"volume":106.45414461169041},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000510933640057,0.000510933640043,0.0005109336398940001],"properties":{"magmom":-0.0},"label":"Y","xyz":[0.003215888912439097,0.0023116286821977263,0.0053399328585322725]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24940641097632701,0.24940641097634103,0.24940641097654],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.5697993807370825,1.1283950946949828,2.606627132983728]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624953204798124,0.624953204798124,0.125202667387704],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.8868141244608454,2.79389969996616,3.8755479363002507]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62495320479811,0.125202667387725,0.624953204798124],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.1605730019086864,0.6336378597677528,5.248081072265076]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125202667387725,0.62495320479811,0.624953204798124],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.607744748729683,2.7938996962892313,5.248081072364404]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6249735783996471,0.6249735783996471,0.6249735783996041],"properties":{"magmom":0.0},"label":"Rh","xyz":[3.9336724846335214,2.827582167673393,6.5318011693303815]}]} | false | -39.956542 | -39.956542 | -0.888336 | 0 | true | -0.003697 | 0 | null | null | 7.263831 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249832 | Pr2GePtBr2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.364375343097925,-2.7275457e-9,0.0],[-2.182187176266121,3.779661388714045,-1e-16],[1e-16,0.0,10.993845587306193]],"pbc":[true,true,true],"a":4.364375343097925,"b":4.364376368462749,"c":10.993845587306193,"alpha":90.0,"beta":90.0,"gamma":119.9999847560896,"volume":181.3529482702057},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.17066731877687102],"properties":{"magmom":-0.0},"label":"Pr","xyz":[1.7066731877687103e-17,0.0,1.8762901494324828]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8267125436346271],"properties":{"magmom":-0.0},"label":"Pr","xyz":[8.26712543634627e-17,0.0,9.088750049808224]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9872493116958051],"properties":{"magmom":0.0},"label":"Ge","xyz":[2.1821900188307257,1.2598858678658655,10.853666488958003]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.010565363406705],"properties":{"magmom":0.0},"label":"Pt","xyz":[-1.8519989235754596e-6,2.51977551812063,0.11615397386709003]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6634201331174691],"properties":{"magmom":0.0},"label":"Br","xyz":[-1.8519989235101741e-6,2.51977551812063,7.293538503003575]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.34138532936852],"properties":{"magmom":0.0},"label":"Br","xyz":[2.1821900188307257,1.2598858678658655,3.753137596849175]}]} | false | -26.787851 | -26.787851 | -1.673623 | 0 | true | -0.07043 | 0.032 | 3.8054 | 3.7734 | 3.784837 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249833 | ErMg(ZnIr)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.624710912564463,0.017417441749127002,-2.285715932234064],[-1.698857349029705,4.111314485987623,-2.612226522751858],[0.17953784467865402,-0.017417443820839002,5.155602127487531]],"pbc":[true,true,true],"a":5.158754860907674,"b":5.158754743270141,"c":5.158756681796018,"alpha":121.3463244496745,"beta":114.3063813520016,"gamma":93.90913625033093,"volume":99.58027229273634},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.011573597221506,0.011573597222572,3.2259000000000002e-12],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.0338626506722275,0.04778428037152364,-0.056686813174274514]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24736583990826902,0.747365839907224,0.49999999999673805],"properties":{"magmom":-0.0},"label":"Mg","xyz":[-0.03590352798195828,3.0682557621398403,0.06010415315378728]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6220354007976141,0.8742537034547121,0.252219302656506],"properties":{"magmom":-0.0},"label":"Zn","xyz":[1.4367844870249638,3.6007731652664217,-2.4052025644258412]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6220354007976631,0.369816098140255,0.7477806973424561],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.3827240446484645,1.5182401185084688,1.467420107993478]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.126139118603873,0.37349638063731305,0.752644737965901],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.08396810129002749,1.5246489534881302,2.616361467575847]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.620850642671072,0.373496380637924,0.24735526203517802],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.2811473017665533,1.542066413703989,-1.1194800419514366]}]} | false | -27.402387 | -27.402387 | -0.629945 | 0 | true | -0.019251 | 0 | null | null | 4.930446 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249834 | LiPmGaCu | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.00081156416288,5.257667e-10,2.309869140424785],[1.333603855216657,3.772001119006109,2.309869140424785],[1.4870934000000001e-9,1.0515337000000001e-9,4.619739275829974]],"pbc":[true,true,true],"a":4.6197390205320215,"b":4.6197388595372795,"c":4.619739275829974,"alpha":60.00000412526148,"beta":60.000005278067356,"gamma":60.000002365905374,"volume":69.7167888916789},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Li","xyz":[4.000811565649973,2.829000840437557,6.929608167509658]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.6672077104333147,1.8860005602917045,4.619738778339772]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.3336038552166574,0.9430002801458522,2.309869389169886]}]} | false | -13.948632 | -13.948632 | -0.394409 | 0 | true | -0.067513 | 0.0274 | 4.4661 | 4.4387 | 4.457926 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249835 | CaLaCdIn | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.770606908518629,1.0480771e-9,2.754311811554406],[1.59020163949897,4.497771096521674,2.754311811554406],[-4.0494595000000005e-9,-2.8634004000000004e-9,5.508621637136551]],"pbc":[true,true,true],"a":5.508622680023908,"b":5.508622300198037,"c":5.508621637136551,"alpha":59.99999209792965,"beta":59.99999437881604,"gamma":60.00000083277777,"volume":118.19903364088125},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.770606407976104,3.3733283210297635,8.262933945184022]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"La","xyz":[1.5902021359920349,1.1244427736765878,2.754311315061341]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Cd","xyz":[3.1804042719840697,2.2488855473531757,5.508622630122682]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[0.0,0.0,0.0]}]} | false | -20.414833 | -20.414833 | -0.54817 | 0 | true | -0.021806 | 0 | null | null | 5.499506 | false | true | false | NM | 0.000716 | 0.000006 | 0.000716 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249836 | Ce2FeIr2Ru | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7063701712123285,-0.031504640156839,2.108600981361305],[1.36635533896969,4.430404515874253,2.081328554521378],[-0.00791105476617,-0.037612520955607,5.081914561721537]],"pbc":[true,true,true],"a":5.157238682611697,"b":5.082060570130585,"c":5.082059907080745,"alpha":66.25530360643641,"beta":65.95366172611983,"gamma":65.95365430284652,"volume":106.51687940077797},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6227476963577551,0.6282283586057881,0.6282283586057531],"properties":{"magmom":-0.611},"label":"Ce","xyz":[3.7842944052519236,2.740057062582136,5.813278868891774]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37725230364224405,0.37177164139421104,0.371771641394246],"properties":{"magmom":-0.611},"label":"Ce","xyz":[2.28052005016392,1.6212302921796669,3.4585652287124384]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.9130000000000003},"label":"Fe","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.18},"label":"Ir","xyz":[0.683177669484845,2.2152022579371264,1.040664277260689]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.18},"label":"Ir","xyz":[-0.003955527383085,-0.0188062604778035,2.5409572808607686]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.337},"label":"Ru","xyz":[2.3531850856061642,-0.0157523200784195,1.0543004906806526]}]} | false | -34.95815 | -34.95815 | -0.585169 | 0.014793 | false | null | 0 | null | null | 9.851027 | false | true | true | FiM | 1.980546 | 0.018594 | 1.980546 | 4 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249837 | Li2ThP2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.202106660218732,3.075158e-10,1e-16],[-2.101053829589218,3.639131606604043,0.0],[0.0,0.0,6.775807826497091]],"pbc":[true,true,true],"a":4.202106660218732,"b":4.202107333828592,"c":6.775807826497091,"alpha":90.0,"beta":90.0,"gamma":120.0000025570187,"volume":103.61578312197123},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.38270521233208404],"properties":{"magmom":0.0},"label":"Li","xyz":[2.1010552646695553,1.2130426560291672,2.593136972960966]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.617294787667916],"properties":{"magmom":0.0},"label":"Li","xyz":[-2.4340400435077086e-6,2.426088950882388,4.182670853536125]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7629518078186021],"properties":{"magmom":-0.0},"label":"P","xyz":[2.1010552646695553,1.2130426560291672,5.169614830657388]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.23704819218139703],"properties":{"magmom":-0.0},"label":"P","xyz":[-2.4340400435077086e-6,2.426088950882388,1.6061929958396965]}]} | false | -20.481343 | -20.481343 | -1.230778 | 0 | true | -0.046158 | 1.5819 | 5.3524 | 3.7705 | 3.863708 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"P3-",
"Th4+",
"Li+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249838 | CeLu(SiAu)2 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.288472773252322,-5.591686e-10,0.0],[-2.144235887507936,3.713926923703001,0.0],[0.0,0.0,7.730718865072933]],"pbc":[true,true,true],"a":4.288472773252322,"b":4.2884730074798165,"c":7.730718865072933,"alpha":90.0,"beta":90.0,"gamma":119.99999050068894,"volume":123.12773524807115},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.865},"label":"Ce","xyz":[2.1442386972350995,1.2379744028859245,3.8653594325364664]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":0.032},"label":"Lu","xyz":[2.1442386972350995,1.2379744028859245,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.740727134315989],"properties":{"magmom":0.018000000000000002},"label":"Si","xyz":[0.0,0.0,5.726353231128028]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25927286568401003],"properties":{"magmom":0.018000000000000002},"label":"Si","xyz":[0.0,0.0,2.004365633944897]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.206803044251429],"properties":{"magmom":0.01},"label":"Au","xyz":[-1.8114907153913015e-6,2.4759525202579042,1.5987361955490347]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7931969557485701],"properties":{"magmom":0.01},"label":"Au","xyz":[-1.8114907153913015e-6,2.4759525202579042,6.131982669523891]}]} | false | -32.15628 | -32.15628 | -0.883287 | 0 | true | -0.056958 | 0 | null | null | 7.665125 | false | true | true | FM | 1.114619 | 0.009053 | 1.114619 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249839 | Yb2HgPt2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8964566026054,-0.041365538633647,-2.417088899115225],[-1.185540018431463,3.907216337688201,-3.64041455183562],[0.073347131358168,0.048666103696223005,5.468274704234012]],"pbc":[true,true,true],"a":5.460706649803715,"b":5.470325653379021,"c":5.468983125983569,"alpha":131.44865124452457,"beta":115.50674700914665,"gamma":84.55867791985209,"volume":106.0588910499005},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29864181438028903,0.798915236580775,0.49953222060045005],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.5517799549372925,3.1334914721334144,-0.8986470614227915]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7013581856197101,0.20108476341922402,0.500467779399549],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.232483760594809,0.781025430617359,0.30941831470595854]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Hg","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.723863632519616,0.5009225477532481,0.22528403608362801],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.9670270741280054,1.9382334497025562,-2.341293487036039]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.276136367480383,0.49907745224675104,0.7747159639163711],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.8172366414040952,1.9762834530482174,1.7520647403192058]}]} | false | -46.153589 | -46.153589 | -1.073189 | 0.098115 | false | null | 0 | null | null | 5.472127 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249840 | LaHo(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.17615349723938,0.0,0.0],[-2.08807674861969,3.616655419605893,0.0],[0.0,0.0,7.826127052478029]],"pbc":[true,true,true],"a":4.17615349723938,"b":4.176153844423221,"c":7.826127052478029,"alpha":90.0,"beta":90.0,"gamma":119.99999724992199,"volume":118.20353917159873},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,0.0,3.9130635262390143]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.222350465631237],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-2.088076727636845e-6,2.4111048186223876,1.74014299420771]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.777649534368762],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.0880788366964156,1.2055506009835022,6.085984058270311]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.23341465551641902],"properties":{"magmom":0.0},"label":"Si","xyz":[2.0880788366964156,1.2055506009835022,1.8267327499818868]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7665853444835801],"properties":{"magmom":0.0},"label":"Si","xyz":[-2.088076727636845e-6,2.4111048186223876,5.9993943024961345]}]} | false | -17.688767 | -17.688767 | -0.710893 | 0 | true | -0.006933 | 0 | null | null | 6.862616 | false | true | false | NM | 0.00007 | 0.000001 | 0.00007 | 0 | 0 | [
"Cu+",
"Ho3+",
"La3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249841 | NdHo3(CI)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.77673960491045,1.1418959e-9,0.0],[-1.8883688004523491,3.270752069358503,0.0],[0.0,0.0,14.84680471549352]],"pbc":[true,true,true],"a":3.77673960491045,"b":3.776738781771222,"c":14.84680471549352,"alpha":90.0,"beta":90.0,"gamma":119.99998963969283,"volume":183.3992957301607},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9139450893650071],"properties":{"magmom":0.002},"label":"Nd","xyz":[-1.2203675323121318e-6,2.1805024702036437,13.569164262486533]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.580580657440094],"properties":{"magmom":0.001},"label":"Ho","xyz":[-1.2203675323121318e-6,2.1805024702036437,8.619767642605915]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.414539600524356],"properties":{"magmom":0.001},"label":"Ho","xyz":[1.888372024825631,1.090249600296752,6.154588495823808]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.08883138985189701],"properties":{"magmom":0.001},"label":"Ho","xyz":[1.888372024825631,1.090249600296752,1.3188622977369877]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.012325855925531001],"properties":{"magmom":-0.0},"label":"C","xyz":[0.0,0.0,0.1829995758776674]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49716121280062],"properties":{"magmom":-0.0},"label":"C","xyz":[0.0,0.0,7.381255438568721]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25358157320425],"properties":{"magmom":0.0},"label":"I","xyz":[-1.2203675323121318e-6,2.1805024702036437,3.764876096811124]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7390336208882501],"properties":{"magmom":0.0},"label":"I","xyz":[1.888372024825631,1.090249600296752,10.972287847511922]}]} | false | -25.573012 | -25.573012 | -0.938777 | 0 | true | -0.033736 | 0 | null | null | 5.944934 | false | true | false | NM | 0.006943 | 0.000038 | 0.006943 | 0 | 0 | [
"C4-",
"I-",
"Ho2+",
"Nd2+",
"Ho3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249842 | Ce(NdRu)2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.205478834365397,0.008654068382068001,-3.087786474010403],[-0.8090108914185591,3.825702808023483,-4.619632567884207],[-0.008258999434519,-0.008654082446781002,6.052385559714233]],"pbc":[true,true,true],"a":6.052397053813248,"b":6.052396687264397,"c":6.052397381835733,"alpha":139.81750398561257,"beta":120.75382632699535,"gamma":74.01749786084875,"volume":120.24634286649625},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6886740188271141,0.18867401882678,0.49999999999994305],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.4281091929060645,0.7234435144551812,0.02810981743423281]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.311325981172885,0.811324981173221,0.5000000000000561],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.9601005596171397,3.102255453800785,-1.683138679982049]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.754746658796086,0.499999999996291,0.25474665879274],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.522208359453834,1.9171784346056764,-3.0984878091974397]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.245253341203913,0.500000000003709,0.745252341207262],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.8660005923174791,1.9085243680071764,1.4434482746315187]}]} | false | -28.477337 | -28.477337 | -0.372194 | 0 | true | -0.096529 | 0 | null | null | 6.827632 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249843 | GdHo(SeI)2 | 25 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.263455486835722,0.0,0.0],[0.0,5.629457584586379,0.0],[0.0,0.0,9.842745556997084]],"pbc":[true,true,true],"a":4.263455486835722,"b":5.629457584586379,"c":9.842745556997084,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":236.235163530601},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.8815663725756481],"properties":{"magmom":6.897},"label":"Gd","xyz":[2.131727743417861,2.8147287922931894,8.677033496866995]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11831172723628201],"properties":{"magmom":-0.001},"label":"Ho","xyz":[0.0,0.0,1.1645122275955657]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.9262623125275261],"properties":{"magmom":-0.018000000000000002},"label":"Se","xyz":[2.131727743417861,0.0,9.116964261244153]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.079969580377259],"properties":{"magmom":-0.021},"label":"Se","xyz":[0.0,2.8147287922931894,0.7871202319531873]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.656791745526881],"properties":{"magmom":-0.023},"label":"I","xyz":[0.0,2.8147287922931894,6.464634035157068]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.33709926175639904],"properties":{"magmom":-0.001},"label":"I","xyz":[2.131727743417861,0.0,3.3179822609197935]}]} | false | -27.607171 | -27.607171 | -1.937364 | 0 | true | -0.056775 | 2.4906 | 2.9176 | 0.427 | 0.533093 | false | false | true | FM | 7.000002 | 0.029631 | 7.000002 | 1 | 1 | [
"I-",
"Ho3+",
"Se2-",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249844 | YbCeNbIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.775862168856038,-2.6534348e-9,3.034801383841159],[1.423704525032645,4.5587193130755095,3.034802374565644],[0.035998396705254,0.026470667703471003,5.218632041710665]],"pbc":[true,true,true],"a":5.658522677808627,"b":5.658522934713205,"c":5.218823331708331,"alpha":57.17149726620587,"beta":57.17150762612133,"gamma":60.00000239652534,"volume":112.85177130199816},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750756265326977,0.750756265327936,0.747729204017154],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.68128059026506,3.4422799754625397,8.458916632285716]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500957582665577,0.500957582665108,0.497128252004195],"properties":{"magmom":0.0},"label":"Ce","xyz":[3.1236157645728664,2.296884322562601,5.634943451296656]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12537200967422202,0.125372009673924,0.623883970977928],"properties":{"magmom":0.0},"label":"Nb","xyz":[0.7997109582070848,0.5880504267682192,4.016779302371869]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626289906782687,0.123311617774952,0.12708585766757302],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.1712084678750494,0.5655070993235685,2.938106195097082]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12331161777518601,0.12331161777524301,0.127085857666585],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.7690534856485651,0.5655071006594891,1.4116669875707866]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12331161777534301,0.626289906782837,0.12708585766657102],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.4851459517026036,2.8584439408160827,2.9381066934064006]}]} | false | -42.375468 | -42.375468 | -0.845111 | 0.025182 | false | null | 0 | null | null | 7.311426 | false | true | false | NM | 0.000362 | 0.000003 | 0.000362 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249845 | ZrPa(BeGe)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.825545771189104,-2.0551518e-9,0.0],[-1.9127723891579511,3.313019587502062,0.0],[0.0,0.0,7.787330603387986]],"pbc":[true,true,true],"a":3.825545771189104,"b":3.8255453205912158,"c":7.787330603387986,"alpha":90.0,"beta":90.0,"gamma":119.99999534169132,"volume":98.69746963562385},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.500000999999997],"properties":{"magmom":0.016},"label":"Zr","xyz":[0.0,0.0,3.893673089024573]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.128},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.333333999999999,0.264198474254214],"properties":{"magmom":0.001},"label":"Be","xyz":[1.9127692255279771,1.1043420698103092,2.0574008639282537]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.7358015257457851],"properties":{"magmom":0.001},"label":"Be","xyz":[3.309583902460269e-7,2.208684141675776,5.729929739459725]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.26560461315390405],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.309583902460269e-7,2.208684141675776,2.068350932414424]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.333333999999999,0.7343953868460951],"properties":{"magmom":-0.0},"label":"Ge","xyz":[1.9127692255279771,1.1043420698103092,5.718979670973555]}]} | false | -23.271671 | -23.271671 | -0.600722 | 0 | true | -0.142459 | 0 | null | null | 8.83563 | false | true | false | NM | 0.182992 | 0.001854 | 0.182992 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249846 | YbCdGaCu3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.404170374956476,-5.2225770000000015e-9,2.542749113544064],[1.468057443710446,4.078717565546897,2.542749111394783],[9.6189571e-9,4.2389312e-9,5.085499193918232]],"pbc":[true,true,true],"a":5.085497984079179,"b":5.025604707996184,"c":5.085499193918232,"alpha":59.60497713792872,"beta":59.99999831092315,"gamma":59.604970332193936,"volume":91.35268866210724},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7518671626673801,0.744397511997796,0.751867162667409],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.4041693995223365,3.0361872071952463,7.628245523210952]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0023338419872510003,0.9929984740381381,0.0023338419873290004],"properties":{"magmom":-0.0},"label":"Cd","xyz":[1.4680574391673324,4.050160318618323,2.5427491136663796]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.373397453976032,0.8798066380717771,0.373397453976124],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.9361126925242433,3.5884827886208273,5.085496043460107]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37346875825873804,0.37759945863076105,0.37346875825875203],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.1991577406712195,1.5401215442909229,3.809053110973854]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8754640248518221,0.377599458630811,0.373468758258688],"properties":{"magmom":-0.0},"label":"Cu","xyz":[4.410030422168932,1.5401215416694176,5.085501130106536]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.373468758258781,0.377599458630726,0.875464024851709],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.199157745500028,1.5401215464187032,6.361949634583125]}]} | false | -17.04927 | -17.04927 | -0.279682 | 0.046428 | false | null | 0 | null | null | 6.052267 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249847 | ErZrMnIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.576479206161021,-0.009526688582476,2.243551631645265],[1.3947843781905331,4.358764404304221,2.243551632708878],[-0.013079811834540002,-0.009526692102758002,5.096815222369443]],"pbc":[true,true,true],"a":5.09683986466886,"b":5.096839660270328,"c":5.096840908868642,"alpha":64.03118422370137,"beta":64.03118684135961,"gamma":64.03117593319722,"volume":101.93414118637705},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250211218097575,0.250211218097604,0.250211218097362],"properties":{"magmom":-0.185},"label":"Er","xyz":[1.49080441937073,1.0858443814113092,2.3980039187099558]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.996298776747167,0.996298776746897,0.9962987767488721],"properties":{"magmom":-0.16},"label":"Zr","xyz":[5.9361312041931225,4.3236487842666,9.548446264775354]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626250488659387,0.626250488659515,0.626250488658548],"properties":{"magmom":3.408},"label":"Mn","xyz":[3.7313154990613997,2.7177461491824855,6.00193363557839]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62536060460409,0.62536060460409,0.126515307287228],"properties":{"magmom":0.06},"label":"Ir","xyz":[3.7325382089469676,2.7186366550918506,3.4508827543617846]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6253606046040611,0.12651530728781002,0.62536060460399],"properties":{"magmom":0.06},"label":"Ir","xyz":[3.030231778492827,0.5395351843406482,4.874219878070117]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12651530728771102,0.625360604604082,0.625360604604004],"properties":{"magmom":0.06},"label":"Ir","xyz":[1.443058276063887,2.718636653335736,4.8742198786005915]}]} | false | -38.941223 | -38.941223 | -0.868452 | 0 | true | -0.007764 | 0 | null | null | 8.226216 | false | true | true | FiM | 3.2242 | 0.03163 | 3.2242 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249848 | UAgBr6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.889123093558744,0.056007412621394005,0.9197446059360481],[-3.484562991157859,5.943145069532233,0.919744619687859],[-0.320679078073389,-0.5650666226435831,6.840781673628952]],"pbc":[true,true,true],"a":6.95047365066737,"b":6.950473561009858,"c":6.871566725674542,"alpha":85.13448473969028,"beta":85.13448382871985,"gamma":118.19771055627243,"volume":288.5453267115666},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9894335317532921,0.010566468247233,0.9999999999991471],"properties":{"magmom":1.31},"label":"U","xyz":[6.458830790868325,-0.4468529569028397,7.7605262797049575]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9232332346798341,0.07676676531997301,0.499999999999985],"properties":{"magmom":-0.012},"label":"Ag","xyz":[5.932429229352217,0.2254106162140502,4.340135443805926]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.277738077176437,0.29604691460733,0.21546811136422403],"properties":{"magmom":-0.042},"label":"Br","xyz":[0.8126815638431263,1.6532513140119032,2.0017059627031863]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.703953085367594,0.722261922842925,0.7845318886353211],"properties":{"magmom":-0.042},"label":"Br","xyz":[2.0812693281601033,3.888621191905733,6.6785649367930855]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.014401374397849002,0.362243880130918,0.767536317176954],"properties":{"magmom":-0.045},"label":"Br","xyz":[-1.4091816161145634,1.7199653593830304,5.596965818574518]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32499124751407704,0.037508670758697,0.7601915785688571],"properties":{"magmom":-0.049},"label":"Br","xyz":[1.8644258479057982,-0.1884374972818777,5.533711964120356]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9624913292688001,0.675008752501959,0.23980842143300402],"properties":{"magmom":-0.049},"label":"Br","xyz":[4.201709182640412,3.9300738535653554,3.1465589312318687]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637756119842102,0.9855986255909521,0.232463682822505],"properties":{"magmom":-0.045},"label":"Br","xyz":[0.8846536788992945,5.761917214234626,3.0833050854229898]}]} | false | -23.851908 | -23.851908 | -1.245509 | 0 | true | -0.026522 | 1.4494 | 1.2429 | -0.2065 | -0.180388 | false | false | true | FM | 0.999964 | 0.003466 | 0.999964 | 1 | 1 | [
"Br-",
"U5+",
"Ag+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249849 | LiCeCdPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.668745233520203,1.797267199999999e-9,2.8229702968406203],[1.480913758548563,4.427648961815099,2.822970296726577],[0.045473144427942,0.032739990603175,5.196963312569226]],"pbc":[true,true,true],"a":5.455854044268599,"b":5.455853937333852,"c":5.197265375756693,"alpha":58.34000015777757,"beta":58.34000195100603,"gamma":60.00000228599949,"volume":106.56635827242141},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6278205920773701,0.6278205920773631,0.11653722376789201],"properties":{"magmom":0.001},"label":"Li","xyz":[3.866181863482154,2.7835846214569195,4.150277442757401]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24718719063985603,0.24718719063986302,0.25843842808043804],"properties":{"magmom":0.656},"label":"Ce","xyz":[1.5318689376084493,1.1029193801616948,2.7386992231355136]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.996576492981702,0.996576492981702,0.01027152105491],"properties":{"magmom":0.012},"label":"Cd","xyz":[6.1290726697097035,4.412827165813698,5.6799923944068755]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6268154047801381,0.124783914740795,0.621584275698928],"properties":{"magmom":-0.008},"label":"Pt","xyz":[3.1395010410924957,0.5728500350253238,5.352093230596229]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6268154047801461,0.6268154047801461,0.6215842756989141],"properties":{"magmom":-0.008},"label":"Pt","xyz":[3.882966381916443,2.7956692406965438,6.769313214998652]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124783914740795,0.6268154047801381,0.621584275698921],"properties":{"magmom":-0.008},"label":"Pt","xyz":[1.5391092557181658,2.7956692397942238,5.352093230538941]}]} | false | -35.520928 | -35.520928 | -0.888349 | 0 | true | -0.046631 | 0 | null | null | 7.770066 | false | true | true | FM | 0.787723 | 0.007392 | 0.787723 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249850 | Tm2ZnNiIr | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.693770373271831,-0.034237210814721,-2.470687788917808],[-1.00859269949563,3.654581495826414,-3.709949195035556],[0.058147024099317005,0.034237215587273,5.303998833091386]],"pbc":[true,true,true],"a":5.304427457691953,"b":5.3044272238251775,"c":5.304428045018384,"alpha":134.18576777765674,"beta":117.13459746148403,"gamma":81.1951653900564,"volume":92.01432780045901},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6968385859200761,0.201721813555671,0.49511677236466006],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.096134727957686,0.7303024172314471,0.15605051796467162]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29339495880896704,0.798278186444335,0.49511677236439006],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.6007805812051192,2.92427908332093,-1.0603600744082642]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.989344589621275,0.9999999999999851,0.989344589621261],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.6926910679207396,3.6545815005480575,-0.9068282427682398]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.741433716455119,0.499999999999978,0.24143371645511202],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.989861914423175,1.810172143658021,-2.4062616767084766]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.278988149194553,0.5000000000000281,0.778988149194574],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.8505058021197902,1.8444093570384323,1.5874850233343956]}]} | false | -29.440534 | -29.440534 | -0.741781 | 0 | true | -0.020617 | 0 | null | null | 4.827849 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249851 | Ce2PaMn2Os | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.048784003028244,-0.030022923846198004,-2.36975425719454],[-1.320759637830213,4.468653209400297,-3.241876272916686],[-0.22764528701845302,0.030023816066773002,5.572624623824115]],"pbc":[true,true,true],"a":5.5773521069304755,"b":5.676533211010498,"c":5.5773532257051635,"alpha":123.84050034306013,"beta":117.48428901767372,"gamma":88.40713638283738,"volume":123.65704329572074},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11614255494566801,0.877717302141327,0.261575747195657],"properties":{"magmom":-1.041},"label":"Ce","xyz":[-0.6324213986603949,3.9265808021989055,-1.6630167603466515]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8838574450543321,0.122282697858672,0.7384242528043431],"properties":{"magmom":-1.041},"label":"Ce","xyz":[4.132800476839974,0.542073299421962,1.6240108540595446]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.809},"label":"Pa","xyz":[1.7501895390897888,2.234327050810436,-0.019502953143555324]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":3.312},"label":"Mn","xyz":[1.8640121825990152,2.219315142777049,-2.805815265055613]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":3.312},"label":"Mn","xyz":[-0.7742024624243331,2.249338512733535,1.1653741754537146]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.12},"label":"Os","xyz":[2.524392001514122,-0.015011461923099002,-1.18487712859727]}]} | false | -37.025382 | -37.025382 | -0.210519 | 0 | true | -0.050241 | 0 | null | null | 9.378197 | false | true | true | FiM | 3.172794 | 0.025658 | 3.172794 | 6 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249852 | Sm2TcWC3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.654695168961578,-0.041699407560884,2.577234572094243],[4.65335635808892,3.213034813238645,2.57723557680985],[-0.029757340512457,-0.009155187725275,5.815725364007133]],"pbc":[true,true,true],"a":6.2144552725131215,"b":6.214455834972558,"c":5.815808699255209,"alpha":65.79107803244746,"beta":65.79108494844951,"gamma":31.80260224262913,"volume":107.06609186008099},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39290089684300206,0.39290089683856805,0.8116859125151731],"properties":{"magmom":0.0},"label":"Sm","xyz":[4.025889075573506,1.2385893881634737,6.745738293265241]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607039090582013,0.607039090584734,0.17959544131496502],"properties":{"magmom":-0.0},"label":"Sm","xyz":[6.252045941964233,1.923480330622068,4.173442634945384]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.160194192577705,0.16019419257452902,0.6825924668793271],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.6309778549422884,0.5017802525212941,4.79548650657169]},{"species":[{"element":"W","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8390015770093271,0.8390015770105631,0.32440895821939303],"properties":{"magmom":-0.0},"label":"W","xyz":[8.638817939259496,2.6577853816808674,6.2112819902088745]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0014217449819390001,0.001421744981591,0.001061347281663],"properties":{"magmom":-0.0},"label":"C","xyz":[0.014623837658070907,0.004499113364344369,0.013500846373849419]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25103698119058004,0.25103698118441203,0.274681415912134],"properties":{"magmom":0.0},"label":"C","xyz":[2.5795283488532625,0.7936077066370105,2.8914343033435372]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7484055168154381,0.7484055168256061,0.7259724578773331],"properties":{"magmom":-0.0},"label":"C","xyz":[7.692999620877988,2.366798499178785,8.079690332574328]}]} | false | -24.170299 | -24.170299 | -0.364583 | 0 | true | -0.053745 | 0 | null | null | 6.625744 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Sm3+",
"W2+",
"C4-",
"Tc4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249853 | PrNd(SiRh2)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.085742728532354,0.070019802237358,0.0],[-8.20292257500574,3.907387869766384,0.0],[0.0,0.0,4.089016165084869]],"pbc":[true,true,true],"a":9.086012530355871,"b":9.086012257109072,"c":4.089016165084869,"alpha":90.0,"beta":90.0,"gamma":154.08808331506646,"volume":147.5148889636294},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09810783544101301,0.9018921645594411,0.75],"properties":{"magmom":-0.0},"label":"Pr","xyz":[-6.506769044415199,3.530911994872423,3.066762123813652]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.901524860285817,0.09847513971388301,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.383238997297153,0.4479051588208511,1.0222540412712173]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.320800172961959,0.679199827039632,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-2.6567157553623506,2.6763595299905907,3.066762123813652]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.679577813774031,0.320422186224234,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[3.5460707950578545,1.2995976677819512,1.0222540412712173]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.546196034932471,0.45380396506741505,0.25],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.2400778630622875,1.8114326467051063,1.0222540412712173]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45321427380695606,0.5467857261932131,0.75],"properties":{"magmom":0.0},"label":"Rh","xyz":[-0.36745268437259226,2.168237887711875,3.066762123813652]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249840830973475,0.750159169026389,0.25],"properties":{"magmom":0.0},"label":"Rh","xyz":[-3.8835080691463815,2.948656643023323,1.0222540412712173]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750739177824279,0.249260822175791,0.75],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.776355800651014,1.0265253217407744,3.066762123813652]}]} | false | -22.668622 | -22.668622 | -1.054321 | 0 | true | -0.048115 | 0 | null | null | 7.832316 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249854 | LiSm2Si4Pd | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.823577979019225,-0.032024503076219,0.0],[-7.843881036413433,4.041050114995539,0.0],[0.0,0.0,4.105123187140762]],"pbc":[true,true,true],"a":8.823636094073137,"b":8.823636197470503,"c":4.105123187140762,"alpha":90.0,"beta":90.0,"gamma":152.95110369732936,"volume":145.34321820182566},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750108375710375,0.24989162428965203,0.75],"properties":{"magmom":0.0},"label":"Li","xyz":[4.658519572871792,0.9858027290866858,3.0788423903555717]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6005084924017791,0.39949150759835506,0.25],"properties":{"magmom":0.0},"label":"Sm","xyz":[2.1650696491114214,1.5951342166578575,1.0262807967851906]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39907975062563106,0.6009202493741911,0.75],"properties":{"magmom":0.0},"label":"Sm","xyz":[-1.1922356489702466,2.4155685121351556,3.0788423903555717]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.964772437061384,0.035227562938651,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[8.236424017525994,0.11145998938572461,1.0262807967851906]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.034920971189123004,0.9650790288108341,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-7.261837180339284,3.8988143936065334,3.0788423903555717]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8288220643892921,0.17117793561066402,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[5.970476752881725,0.6651960016334997,1.0262807967851906]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17132422719273402,0.8286757728073361,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-4.988341501328415,3.343233753756338,3.0788423903555717]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25046268142968103,0.749537318570318,0.25],"properties":{"magmom":0.0},"label":"Pd","xyz":[-3.66930455878885,3.0208969244901085,1.0262807967851906]}]} | false | -15.790076 | -15.790076 | -0.801568 | 0 | true | -0.019985 | 0 | null | null | 6.504709 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Sm2.50+",
"Pd2+",
"Si2-",
"Li+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249855 | NdZn2CdPt2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.593096306190777,2.3640622000000005e-9,2.5840726266444802],[1.669748677958599,4.433116761697271,2.406149460231411],[0.034355297946645005,-0.031151756614034003,5.313002262795507]],"pbc":[true,true,true],"a":5.270101044355474,"b":5.313204315228024,"c":5.313204660363397,"alpha":63.2572728622688,"beta":60.26800373915092,"gamma":60.26800032534152,"volume":107.99823941531974},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254617710174009,0.24538228982564902,0.24538228982594001],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.587640599799626,1.0801642532816225,2.5520937804290496]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12110820182999,0.629811288681644,0.629811288681004],"properties":{"magmom":-0.0},"label":"Zn","xyz":[1.6295255555871073,2.7724072528693005,5.174561283416328]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619269220807737,0.6298112886817291,0.629811288681082],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.9176270917421756,2.7724072540473585,6.461845536218664]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.005359620399239,0.994640379600603,0.9946403796008451],"properties":{"magmom":-0.0},"label":"Cd","xyz":[1.7195878781316267,4.378372143657224,7.6916296483503075]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624823123394151,0.6268446861401521,0.123511067071184],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.9207891255610896,2.7750280998853527,3.7790849116918754]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624823123394861,0.12351106707022501,0.626844686139953],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.0976406569998933,0.5280116700638187,5.242201652905704]}]} | false | -29.143918 | -29.143918 | -0.757312 | 0 | true | -0.047978 | 0 | null | null | 5.702288 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249856 | TbThIr4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.669062495280339,-1.1754165000000002e-9,2.69568488335343],[1.556354163985253,4.402034343876153,2.69568488335343],[-3.3245793000000003e-9,-2.3508326000000002e-9,5.391368778243175]],"pbc":[true,true,true],"a":5.39136917444666,"b":5.391369180343671,"c":5.391368778243175,"alpha":59.99999643759248,"beta":59.99999640141028,"gamma":59.99999763712227,"volume":110.81081601768517},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.112708327970506,2.201017170174952,5.391369272475018]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Th","xyz":[4.669062491955759,3.301525755262428,8.087053908712527]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125525924922698,0.6234222252318911,0.125525924922882],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.5563541639852299,2.744326045763843,2.6956847592765634]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125525924922889,0.125525924922882,0.623422225231365],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.7814511821120476,0.5525694309442395,4.037855797342425]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6234222252318841,0.125525924922698,0.125525924922889],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.1061601260786227,0.552569431528665,2.6956847592765825]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125525924922527,0.12552592492252002,0.125525924922854],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.7814511837650898,0.5525694321131169,1.35351322905438]}]} | false | -53.263851 | -53.263851 | -0.907333 | 0 | true | -0.004788 | 0 | null | null | 8.277045 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249857 | AcCoSn3 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.424378297209754,-3.573597e-10,-1.780570158826628],[-0.71658238441581,4.365964414775203,-1.7805701604666822],[0.001284454201176,0.0015124518983260001,6.39034374236359]],"pbc":[true,true,true],"a":4.769229854738033,"b":4.76923114150308,"c":6.390344050432561,"alpha":111.91056379871739,"beta":111.91056995994515,"gamma":90.00000367245258,"volume":123.46404364756857},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5644244200992571,0.564424420099726,0.128849840197986],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.0929360596433444,2.464451811969237,-1.1865997895962963]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23903976388656603,0.23903976388682202,0.47807952777282703],"properties":{"magmom":-0.0},"label":"Co","xyz":[0.8869247307915993,1.0443621750500391,2.203838377563966]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32150377830931304,0.8215037783088661,0.643007556619132],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.8346051167129835,3.5876287805846405,2.073834167758594]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8215037783093131,0.321503778308866,0.643007556619132],"properties":{"magmom":-0.0},"label":"Sn","xyz":[3.405085457525766,1.4046465730183588,2.073834168578621]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.011328259395561,0.011328259395725002,0.022657518790914002],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.04203197643101237,0.04949304580633661,0.10444781214176518]}]} | false | -31.638823 | -31.638823 | -0.41677 | 0 | true | -0.027442 | 0 | null | null | 8.698 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249858 | AcFeCoP2 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.641748260799661,0.060461021410997004,-5.352182777863185],[-0.295671420489587,3.6302290044769983,-5.352182778007555],[-0.054815604047777,-0.060461022238357004,6.473419210767484]],"pbc":[true,true,true],"a":6.473935929386597,"b":6.473935796950805,"c":6.473933623693616,"alpha":146.25440280984458,"beta":146.25440158665197,"gamma":48.46903978666234,"volume":83.3753330382491},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":0.0},"label":"Fe","xyz":[0.6612756978088365,2.7075564975913196,-2.1154731725877203]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Co","xyz":[2.629985538453461,0.9226725060583187,-2.1154731725155362]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.653801913260593,0.6538019132618721,0.9999999999601951],"properties":{"magmom":-0.0},"label":"P","xyz":[2.132855836065713,2.3525191779460517,-0.5251154701661173]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.346198086739399,0.34619808673812,3.980459999999999e-11],"properties":{"magmom":-0.0},"label":"P","xyz":[1.1584054001965576,1.2777098257035575,-3.7058308749370568]}]} | false | -23.73278 | -23.73278 | -0.87493 | 0 | true | -0.004555 | 0 | null | null | 9.521513 | false | true | false | NM | 0.000066 | 0.000001 | 0.000066 | 0 | 0 | [
"P3-",
"Co+",
"Fe2+",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249859 | DyCdGePt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.619669386575254,-0.055364580888675005,2.275326509966361],[1.392328500507525,4.405205561984019,2.27532650868455],[-0.076520266738427,-0.055364574290094004,5.149039215896906]],"pbc":[true,true,true],"a":5.149904970485694,"b":5.149905379498064,"c":5.149905381087333,"alpha":64.62559212632159,"beta":64.62558856168948,"gamma":64.62558046522936,"volume":106.36609978678423},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24950931087374703,0.24950931087354802,0.24950931087373301],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.480956930758391,1.0715118488246673,2.4201635251289364]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.997343600817821,0.997343600818517,0.9973436008178701],"properties":{"magmom":-0.0},"label":"Cd","xyz":[5.919710622448792,4.283068563193389,9.673925980030413]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624199428970037,0.6241994289703,0.6241994289700581],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.704921741283743,2.6806097208542905,6.0545423539905565]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6278368240031611,0.627836824002265,0.123277011332554],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.7651204695486364,2.724165167233566,3.491825704138035]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6278368240041551,0.12327701133165901,0.6278368240026561],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.0239984107101985,0.4735407348709726,4.941785649357907]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12327701133108301,0.6278368240037221,0.627836824003132],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.3956118978022776,2.7241651705694463,4.9417856487113125]}]} | false | -37.630862 | -37.630862 | -0.893875 | 0 | true | -0.040573 | 0 | null | null | 7.798692 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249860 | NdErMnIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.671349169146238,-0.014905547948601001,2.2821271037785182],[1.418766127308619,4.450711303816259,2.282127101619391],[-0.020464466058554003,-0.014905551925615,5.198961065759215]],"pbc":[true,true,true],"a":5.199021961219573,"b":5.199022267875167,"c":5.1990227094262105,"alpha":64.18801397209593,"beta":64.1880120553612,"gamma":64.18800893980057,"volume":108.51983929998116},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0006586143322090001,0.000658614332302,0.0006586143324370001],"properties":{"magmom":-0.096},"label":"Nd","xyz":[0.003997559028530543,0.0029116682359924383,0.006430193507423462]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25250097072017,0.25250097072008504,0.252500970719971],"properties":{"magmom":-0.183},"label":"Er","xyz":[1.5325927266074362,1.1162815929519885,2.465221333315933]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624256756732798,0.624256756732812,0.6242567567328401],"properties":{"magmom":3.489},"label":"Mn","xyz":[3.7890205418837493,2.759776823152287,6.094753100456922]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623635055940965,0.6236350559409161,0.12531254633285002],"properties":{"magmom":-0.005},"label":"Ir","xyz":[3.795444939240342,2.7644561180372684,3.497923976147633]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6236350559410361,0.125312546332836,0.623635055940923],"properties":{"magmom":-0.005},"label":"Ir","xyz":[3.0782439380492184,0.539138719535833,4.951447997268001]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12531254633282102,0.6236350559410361,0.623635055940972],"properties":{"magmom":-0.005},"label":"Ir","xyz":[1.457408593931552,2.764456116055967,4.951447996192279]}]} | false | -40.012328 | -40.012328 | -0.828188 | 0 | true | -0.029326 | 0 | null | null | 6.783162 | false | true | true | FiM | 3.221941 | 0.02969 | 3.221941 | 3 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249861 | PrThTe4 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.77347064379429,0.020471255714701,-5.880816318809636],[-0.49098831802463005,4.203687234240196,-7.071445903115894],[0.013927182657889002,-0.020471252844817,8.241163745931965]],"pbc":[true,true,true],"a":8.241200332636181,"b":8.241201553926782,"c":8.241200939539892,"alpha":149.2519621017322,"beta":135.43104463320947,"gamma":55.12204363634286,"volume":199.54215835315594},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13926480488130702,0.139264804881015,4.97e-14],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.7356638703874087,0.5882766078900566,-1.8037942711055084]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.862310843964429,0.8623108439647851,0.99999999999946],"properties":{"magmom":0.0},"label":"Th","xyz":[4.569068975219323,3.622066419669206,-2.9277124219121977]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.707920095430232,0.20792009543021,0.4999999999999],"properties":{"magmom":-0.0},"label":"Te","xyz":[3.9920331425086406,0.8782874377786983,-1.5128618836596484]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29718998062296703,0.797189980623038,0.500000000000241],"properties":{"magmom":-0.0},"label":"Te","xyz":[1.3313702523532491,3.3469855704760203,-3.264423637348116]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7491104469914941,0.49665813755032606,0.25245330944106503],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.084629794429105,2.0979626685916544,-5.836963031981534]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24420482810957303,0.49665813755063903,0.747546690559289],"properties":{"magmom":-0.0},"label":"Te","xyz":[1.1764672818789368,2.077491434770383,1.2124397943181189]}]} | false | -35.57305 | -35.57305 | -1.481697 | 0 | true | -0.03767 | 0 | null | null | 6.137004 | false | true | false | NM | 0.000062 | 0 | 0.000062 | 0 | 0 | [
"Th4+",
"Te-",
"Pr3+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249862 | NpSbSe | 129 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.194673261084748,0.0,0.0],[0.0,4.194673261084748,0.0],[0.0,0.0,8.970860884998888]],"pbc":[true,true,true],"a":4.194673261084748,"b":4.194673261084748,"c":8.970860884998888,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":157.84484290816286},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.705676556765617],"properties":{"magmom":3.916},"label":"Np","xyz":[0.0,2.097336630542374,6.3305262205493715]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.29432344323438203],"properties":{"magmom":3.916},"label":"Np","xyz":[2.097336630542374,0.0,2.6403346644495085]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.028},"label":"Sb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.028},"label":"Sb","xyz":[2.097336630542374,2.097336630542374,0.0]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.36944973238682605],"properties":{"magmom":-0.068},"label":"Se","xyz":[0.0,2.097336630542374,3.3142821532422846]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.630550267613173],"properties":{"magmom":-0.068},"label":"Se","xyz":[2.097336630542374,0.0,5.656578731756595]}]} | false | -42.386149 | -42.386149 | -1.37212 | 0 | true | -0.121485 | 0 | null | null | 8.441633 | false | true | true | FM | 7.940782 | 0.050308 | 3.970391 | 2 | 1 | [
"Se2-",
"Sb3-",
"Np5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249863 | Ac(ZrIr)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.379216368209524,0.13750850267140702,-4.718761725280267],[-0.5756375858640821,4.343395966462276,-4.718761725968346],[-0.116723510198648,-0.137508501717549,6.43666173167006]],"pbc":[true,true,true],"a":6.439189142110297,"b":6.439189341695425,"c":6.43918839713698,"alpha":138.1862168050497,"beta":138.18622429953845,"gamma":60.617914234071286,"volume":117.40749969033317},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7499990000000021,0.24999900000000203,0.5],"properties":{"magmom":-0.0},"label":"Zr","xyz":[3.0821373210130236,1.1202216368558897,-1.5004214220938246]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24999900000000203,0.7499990000000021,0.5],"properties":{"magmom":-0.0},"label":"Zr","xyz":[0.6047103439762208,3.2231653687513244,-1.500421422437864]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.379013486846609,0.379013486846552,0.9999999999997081],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.324884146593944,1.560814725355154,2.85971306121407]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62098651315339,0.620986513153447,2.9130000000000003e-13],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.361971125552846,2.7825812420609752,-5.860574780792617]}]} | false | -44.653093 | -44.653093 | -0.881939 | 0 | true | -0.07453 | 0 | null | null | 8.102638 | false | true | false | NM | 0.000018 | 0 | 0.000018 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
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