mp_id
stringlengths
4
38
elements
listlengths
1
10
atomic_numbers
listlengths
1
200
num_atoms
int32
1
200
num_elements
int32
1
10
fractional_coords
listlengths
1
200
lattice
dict
spacegroup_number
int32
0
230
reduced_formula
stringlengths
1
24
tier
stringclasses
3 values
is_li_containing
bool
2 classes
num_li_atoms
int32
0
104
band_gap
float32
0
17.9
energy_above_hull
float32
0
9.71
formation_energy_per_atom
float32
-5.15
8.99
is_metal
bool
2 classes
source_tags
listlengths
1
5
source
stringclasses
4 values
mp-1080353
[ "Se", "Ce" ]
[ 58, 58, 58, 58, 58, 58, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]
18
2
[ [ 0.6661810278892517, 0.8445190191268921, 0.1228799968957901 ], [ 0.3338190019130707, 0.1554809957742691, 0.8771200180053711 ], [ 0.9964410066604614, 0.5089190006256104, 0.2504560053348541 ], [ 0.00355900009162724, 0.49108099937438965, 0.7495440244674683 ], [ 0.3369689881801605, 0.18716299533843994, 0.39089399576187134 ], [ 0.6630309820175171, 0.8128370046615601, 0.6091060042381287 ], [ 0.0754539966583252, 0.17418700456619263, 0.14023999869823456 ], [ 0.9245460033416748, 0.8258129954338074, 0.8597599864006042 ], [ 0.5226939916610718, 0.5577030181884766, 0.3538149893283844 ], [ 0.4773060083389282, 0.4422970116138458, 0.6461849808692932 ], [ 0.81557697057724, 0.14005599915981293, 0.44020599126815796 ], [ 0.18442299962043762, 0.8599439859390259, 0.559794008731842 ], [ 0.5771369934082031, 0.17425000667572021, 0.14112399518489838 ], [ 0.4228630065917969, 0.8257499933242798, 0.8588759899139404 ], [ 0.16492199897766113, 0.8413339853286743, 0.2261819988489151 ], [ 0.8350780010223389, 0.1586659997701645, 0.7738180160522461 ], [ 0.7447909712791443, 0.499781996011734, 0.9996110200881958 ], [ 0.2552089989185333, 0.5002179741859436, 0.00038899999344721437 ] ]
{ "a": 5.534256935119629, "b": 9.173070907592773, "c": 11.165755271911621, "alpha": 109.39434814453125, "beta": 90.3031005859375, "gamma": 107.16669464111328 }
2
CeSe2
hard_negative
false
null
0
0.115048
-1.82408
true
[ "metallic" ]
null
mp-1080640
[ "Se", "Ce" ]
[ 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]
39
2
[ [ 0, 0, 0 ], [ 0.22711999714374542, 0.6939290165901184, 0.9248369932174683 ], [ 0.7728800177574158, 0.306071013212204, 0.07516299933195114 ], [ 0.6935920119285583, 0.07422299683094025, 0.7716889977455139 ], [ 0.30640798807144165, 0.925777018070221, 0.22831100225448608 ], [ 0.07393500208854675, 0.22746600210666656, 0.3052929937839508 ], [ 0.9260650277137756, 0.7725340127944946, 0.6947069764137268 ], [ 0.15479199588298798, 0.4650290012359619, 0.6171180009841919 ], [ 0.8452079892158508, 0.5349709987640381, 0.3828819990158081 ], [ 0.4657149910926819, 0.383635014295578, 0.8458309769630432 ], [ 0.5342850089073181, 0.6163650155067444, 0.1541689932346344 ], [ 0.3835430145263672, 0.15457400679588318, 0.5354130268096924 ], [ 0.6164569854736328, 0.8454260230064392, 0.46458700299263 ], [ 0.937857985496521, 0.7309569716453552, 0.9106780290603638 ], [ 0.06214199960231781, 0.2690429985523224, 0.08932200074195862 ], [ 0.711404025554657, 0.03448700159788132, 0.9878060221672058 ], [ 0.2885960042476654, 0.9655129909515381, 0.01219400018453598 ], [ 0.014891999773681164, 0.957518994808197, 0.21439599990844727 ], [ 0.9851080179214478, 0.04248100146651268, 0.7856040000915527 ], [ 0.6371669769287109, 0.8055739998817444, 0.6822220087051392 ], [ 0.3628329932689667, 0.19442600011825562, 0.31777799129486084 ], [ 0.7862570285797119, 0.26363998651504517, 0.2892090082168579 ], [ 0.21374300122261047, 0.7363600134849548, 0.7107909917831421 ], [ 0.24373899400234222, 0.6567590236663818, 0.14017899334430695 ], [ 0.7562609910964966, 0.34324100613594055, 0.8598210215568542 ], [ 0.8672900199890137, 0.5042070150375366, 0.6008340120315552 ], [ 0.13270999491214752, 0.49579301476478577, 0.3991659879684448 ], [ 0.48591598868370056, 0.34735798835754395, 0.06187399849295616 ], [ 0.514083981513977, 0.652642011642456, 0.9381260275840759 ], [ 0.3285500109195709, 0.8860909938812256, 0.4438219964504242 ], [ 0.6714500188827515, 0.11390899866819382, 0.5561779737472534 ], [ 0.17820900678634644, 0.42530399560928345, 0.8330519795417786 ], [ 0.8217909932136536, 0.5746960043907166, 0.16694800555706024 ], [ 0.40663498640060425, 0.11497200280427933, 0.7511669993400574 ], [ 0.5933650135993958, 0.8850280046463013, 0.24883300065994263 ], [ 0.0956759974360466, 0.19643500447273254, 0.5227490067481995 ], [ 0.9043239951133728, 0.8035650253295898, 0.47725099325180054 ], [ 0.558538019657135, 0.5776399970054626, 0.36990898847579956 ], [ 0.4414620101451874, 0.42236000299453735, 0.6300910115242004 ] ]
{ "a": 9.681949615478516, "b": 10.638346672058105, "c": 12.936861991882324, "alpha": 98.37549591064453, "beta": 94.74951171875, "gamma": 99.41971588134766 }
2
CeSe2
general_inorganic
false
null
0.8829
0.087868
-1.85126
false
null
null
mp-1080797
[ "Cs", "Hg" ]
[ 55, 55, 55, 55, 80, 80, 80, 80 ]
8
2
[ [ 0.7572121024131775, 0.3405226767063141, 0.5513876080513 ], [ 0.2427879124879837, 0.6594772934913635, 0.44861242175102234 ], [ 0.31212836503982544, 0.2119312584400177, 0.8609773516654968 ], [ 0.6878716349601746, 0.7880687117576599, 0.13902263343334198 ], [ 0.8111375570297241, 0.8953916430473328, 0.7128981351852417 ], [ 0.18886244297027588, 0.10460837185382843, 0.2871018648147583 ], [ 0.13512203097343445, 0.7526997327804565, 0.9463155269622803 ], [ 0.8648779988288879, 0.24730026721954346, 0.05368446186184883 ] ]
{ "a": 7.2589921951293945, "b": 7.601785659790039, "c": 7.690280914306641, "alpha": 107.80821228027344, "beta": 103.62905883789062, "gamma": 91.7286376953125 }
2
CsHg
hard_negative
false
null
0
0
-0.20687
true
[ "metallic" ]
null
mp-1080857
[ "Se", "Ce" ]
[ 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]
48
2
[ [ 0.7044867277145386, 0.6805889010429382, 0.31223878264427185 ], [ 0.8929961323738098, 0.8184596300125122, 0.6867146492004395 ], [ 0.7953178882598877, 0.36920639872550964, 0.6870567202568054 ], [ 0.6075665950775146, 0.13129094243049622, 0.31326600909233093 ], [ 0.2955132722854614, 0.3194110691547394, 0.6877611875534058 ], [ 0.10700388252735138, 0.1815403550863266, 0.31328538060188293 ], [ 0.2046820968389511, 0.6307936310768127, 0.3129432797431946 ], [ 0.39243337512016296, 0.8687090873718262, 0.6867339611053467 ], [ 0.31912851333618164, 0.2963322401046753, 0.1878771185874939 ], [ 0.6300255060195923, 0.203657329082489, 0.8127034306526184 ], [ 0.18168486654758453, 0.10767190903425217, 0.8130491375923157 ], [ 0.8684441447257996, 0.39112621545791626, 0.1865454465150833 ], [ 0.6808714866638184, 0.7036677598953247, 0.8121228814125061 ], [ 0.3699744939804077, 0.796342670917511, 0.1872965395450592 ], [ 0.8183151483535767, 0.8923280835151672, 0.18695087730884552 ], [ 0.13155584037303925, 0.6088737845420837, 0.8134545683860779 ], [ 0.7369338274002075, 0.48750385642051697, 0.24985584616661072 ], [ 0.9870343208312988, 0.012348690070211887, 0.7500867247581482 ], [ 0.7632718682289124, 0.2370481938123703, 0.7498563528060913 ], [ 0.5127891898155212, 0.26198825240135193, 0.2495574951171875 ], [ 0.2630661725997925, 0.5124961733818054, 0.7501441836357117 ], [ 0.012965680100023746, 0.9876512885093689, 0.249913290143013 ], [ 0.23672816157341003, 0.7629517912864685, 0.2501436173915863 ], [ 0.48721081018447876, 0.7380117774009705, 0.7504425048828125 ], [ 0.831849217414856, 0.8060170412063599, 0.30313625931739807 ], [ 0.028808889910578728, 0.6938896775245667, 0.6972684264183044 ], [ 0.6690675616264343, 0.5032801032066345, 0.69747394323349 ], [ 0.47083812952041626, 0.9956138134002686, 0.3021121323108673 ], [ 0.16815075278282166, 0.19398297369480133, 0.6968637108802795 ], [ 0.9711911082267761, 0.30611029267311096, 0.30273157358169556 ], [ 0.3309324383735657, 0.49671992659568787, 0.30252605676651 ], [ 0.5291618704795837, 0.0043861898593604565, 0.6978878378868103 ], [ 0.19382965564727783, 0.16874663531780243, 0.1968061923980713 ], [ 0.4962684214115143, 0.3302382826805115, 0.8024154901504517 ], [ 0.30590227246284485, 0.9716824293136597, 0.8026184439659119 ], [ 0.003831879934296012, 0.5278346538543701, 0.19734035432338715 ], [ 0.8061703443527222, 0.8312533497810364, 0.8031938076019287 ], [ 0.5037315487861633, 0.6697617173194885, 0.19758450984954834 ], [ 0.6940977573394775, 0.028317559510469437, 0.19738157093524933 ], [ 0.9961681365966797, 0.4721653461456299, 0.8026596307754517 ], [ 0.7415052652359009, 0.7500235438346863, 0.5005050897598267 ], [ 0.7577657699584961, 0.24981985986232758, 0.49961593747138977 ], [ 0.2584947645664215, 0.24997647106647491, 0.49949491024017334 ], [ 0.2422342151403427, 0.7501801252365112, 0.5003840327262878 ], [ 0.24966806173324585, 0.25844651460647583, 0.9993951916694641 ], [ 0.7501058578491211, 0.24158941209316254, 0.00037028000224381685 ], [ 0.7503319382667542, 0.7415534853935242, 0.0006048100185580552 ], [ 0.2498941570520401, 0.7584105730056763, 0.9996297359466553 ] ]
{ "a": 14.733504295349121, "b": 14.88939380645752, "c": 17.161466598510742, "alpha": 115.13860321044922, "beta": 114.88566589355469, "gamma": 89.99005126953125 }
2
CeSe2
hard_negative
false
null
0
0.53597
-1.403158
true
[ "metallic" ]
null
mp-1095321
[ "Br", "W" ]
[ 74, 74, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]
12
2
[ [ 0.8989998698234558, 0.49657130241394043, 0.21414051949977875 ], [ 0.10100013762712479, 0.5034286975860596, 0.7858594655990601 ], [ 0.24495960772037506, 0.26678499579429626, 0.04424649104475975 ], [ 0.7550404071807861, 0.7332149744033813, 0.95575350522995 ], [ 0.5683781504631042, 0.733133852481842, 0.33950525522232056 ], [ 0.43162181973457336, 0.26686617732048035, 0.6604947447776794 ], [ 0.062482450157403946, 0.25634849071502686, 0.43426164984703064 ], [ 0.937517523765564, 0.7436515092849731, 0.565738320350647 ], [ 0.12305133789777756, 0.7237552404403687, 0.14439791440963745 ], [ 0.8769486546516418, 0.27624475955963135, 0.8556020855903625 ], [ 0.702015221118927, 0.2642780840396881, 0.2389979064464569 ], [ 0.297984778881073, 0.7357219457626343, 0.7610020637512207 ] ]
{ "a": 6.637240886688232, "b": 7.164608001708984, "c": 10.006561279296875, "alpha": 66.44690704345703, "beta": 70.85274505615234, "gamma": 63.796783447265625 }
2
WBr5
hard_negative
false
null
0
0.011451
-0.912357
true
[ "halide", "metallic" ]
null
mp-1095514
[ "B", "C" ]
[ 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
2
[ [ 0.19062800705432892, 0.33757299184799194, 0.26728400588035583 ], [ 0.8093720078468323, 0.6624270081520081, 0.7327160239219666 ], [ 0.6857529878616333, 0.6689670085906982, 0.11433800309896469 ], [ 0.3142470121383667, 0.33103299140930176, 0.8856620192527771 ], [ 0.31627801060676575, 0.6753870248794556, 0.22856099903583527 ], [ 0.6837220191955566, 0.3246130049228668, 0.7714390158653259 ], [ 0.7985159754753113, 0.3320010006427765, 0.39951199293136597 ], [ 0.20148399472236633, 0.6679990291595459, 0.600488007068634 ], [ 0.6836439967155457, 0.01593800075352192, 0.4237689971923828 ], [ 0.31635600328445435, 0.9840620160102844, 0.5762310028076172 ], [ 0.18820099532604218, 0.9994469881057739, 0.9368069767951965 ], [ 0.8117989897727966, 0.0005530000198632479, 0.06319300085306168 ] ]
{ "a": 4.450555324554443, "b": 4.45805549621582, "c": 4.466943740844727, "alpha": 59.995391845703125, "beta": 70.4704818725586, "gamma": 79.80912017822266 }
2
BC5
hard_negative
false
null
0
0.303676
0.276473
true
[ "metallic" ]
null
mp-1096893
[ "N", "Cr" ]
[ 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]
48
2
[ [ 0.38776901364326477, 0.6392250061035156, 0.6441670060157776 ], [ 0.6122310161590576, 0.3607749938964844, 0.3558329939842224 ], [ 0.7787629961967468, 0.5861669778823853, 0.5700740218162537 ], [ 0.22123700380325317, 0.41383299231529236, 0.4299260079860687 ], [ 0.5913119912147522, 0.8573780059814453, 0.3569529950618744 ], [ 0.4086880087852478, 0.1426219940185547, 0.6430469751358032 ], [ 0.4295719861984253, 0.6379770040512085, 0.14113900065422058 ], [ 0.5704280138015747, 0.3620229959487915, 0.8588610291481018 ], [ 0.33083900809288025, 0.8671389818191528, 0.5593699812889099 ], [ 0.6691610217094421, 0.13286100327968597, 0.4406299889087677 ], [ 0.9570050239562988, 0.7612619996070862, 0.4327169954776764 ], [ 0.04299499839544296, 0.23873800039291382, 0.5672829747200012 ], [ 0.07475999742746353, 0.5401600003242493, 0.242248997092247 ], [ 0.9252399802207947, 0.45983999967575073, 0.7577509880065918 ], [ 0.6955000162124634, 0.44080600142478943, 0.12455099821090698 ], [ 0.304500013589859, 0.559194028377533, 0.875449001789093 ], [ 0.5984339714050293, 0.6323660016059875, 0.6218569874763489 ], [ 0.4015659987926483, 0.36763399839401245, 0.3781430125236511 ], [ 0.33502399921417236, 0.7658209800720215, 0.6323999762535095 ], [ 0.6649760007858276, 0.23417900502681732, 0.3675999939441681 ], [ 0.27333998680114746, 0.5287950038909912, 0.5398759841918945 ], [ 0.7266600131988525, 0.4712049961090088, 0.4601239860057831 ], [ 0.3583259880542755, 0.6229410171508789, 0.7734580039978027 ], [ 0.6416739821434021, 0.3770590126514435, 0.22654199600219727 ], [ 0.8905159831047058, 0.6923999786376953, 0.5258229970932007 ], [ 0.109484001994133, 0.3075999915599823, 0.4741770029067993 ], [ 0.8939980268478394, 0.5472609996795654, 0.6751300096511841 ], [ 0.10600200295448303, 0.45273900032043457, 0.3248699903488159 ], [ 0.4947330057621002, 0.7678850293159485, 0.23401300609111786 ], [ 0.5052670240402222, 0.2321150004863739, 0.765986979007721 ], [ 0.46566298604011536, 0.8372669816017151, 0.45794200897216797 ], [ 0.5343369841575623, 0.16273300349712372, 0.542057991027832 ], [ 0.7846680283546448, 0.8203039765357971, 0.38462400436401367 ], [ 0.2153320014476776, 0.1796959936618805, 0.6153759956359863 ], [ 0.6078510284423828, 0.9996479749679565, 0.35972699522972107 ], [ 0.3921490013599396, 0.00035200000274926424, 0.6402729749679565 ], [ 0.5966699719429016, 0.5600029826164246, 0.14276500046253204 ], [ 0.403329998254776, 0.43999698758125305, 0.8572350144386292 ], [ 0.374644011259079, 0.6430699825286865, 0.00774900009855628 ], [ 0.6253560185432434, 0.3569299876689911, 0.9922509789466858 ], [ 0.2640810012817383, 0.5742560029029846, 0.19183200597763062 ], [ 0.7359189987182617, 0.4257439970970154, 0.8081679940223694 ], [ 0.12798799574375153, 0.8586170077323914, 0.4941050112247467 ], [ 0.8720120191574097, 0.14138300716876984, 0.5058950185775757 ], [ 0.01799900084733963, 0.6642910242080688, 0.32198500633239746 ], [ 0.982001006603241, 0.33570900559425354, 0.6780149936676025 ], [ 0.9107440114021301, 0.4803450107574463, 0.13848799467086792 ], [ 0.08925600349903107, 0.5196549892425537, 0.8615120053291321 ] ]
{ "a": 7.991711616516113, "b": 12.432123184204102, "c": 12.580744743347168, "alpha": 105.04305267333984, "beta": 94.22132873535156, "gamma": 95.79594421386719 }
2
CrN2
general_inorganic
false
null
0.1108
0.37536
-0.124098
false
null
null
mp-1100464
[ "Mg", "Si" ]
[ 12, 12, 14, 14, 14, 14 ]
6
2
[ [ 0.3072569966316223, 0.09369099885225296, 0.2910560071468353 ], [ 0.6927430033683777, 0.9063090085983276, 0.7089440226554871 ], [ 0.937654972076416, 0.2568340003490448, 0.8536339998245239 ], [ 0.6262170076370239, 0.49151700735092163, 0.2595619857311249 ], [ 0.062345001846551895, 0.7431660294532776, 0.14636600017547607 ], [ 0.3737829923629761, 0.5084829926490784, 0.7404379844665527 ] ]
{ "a": 4.463638782501221, "b": 5.074962139129639, "c": 5.5516180992126465, "alpha": 69.83486938476562, "beta": 66.90019989013672, "gamma": 66.22108459472656 }
2
MgSi2
hard_negative
false
null
0
0.261396
0.207096
true
[ "metallic" ]
null
mp-1100709
[ "Mg", "Si" ]
[ 12, 12, 12, 12, 12, 14, 14, 14, 14, 14, 14 ]
11
2
[ [ 0.5, 0.5, 0.5 ], [ 0.14598900079727173, 0.43077200651168823, 0.8086580038070679 ], [ 0.8540109992027283, 0.5692279934883118, 0.19134199619293213 ], [ 0.08630499988794327, 0.8750870227813721, 0.6606559753417969 ], [ 0.9136949777603149, 0.12491299957036972, 0.33934399485588074 ], [ 0.46215400099754333, 0.8289409875869751, 0.3841949999332428 ], [ 0.537846028804779, 0.1710589975118637, 0.6158049702644348 ], [ 0.3091849982738495, 0.23854100704193115, 0.10675899684429169 ], [ 0.2799929976463318, 0.8693860173225403, 0.0709649994969368 ], [ 0.6908149719238281, 0.7614589929580688, 0.8932409882545471 ], [ 0.7200070023536682, 0.1306139975786209, 0.9290350079536438 ] ]
{ "a": 4.314356803894043, "b": 6.913844108581543, "c": 7.571547508239746, "alpha": 109.73979187011719, "beta": 105.7563247680664, "gamma": 92.59140014648438 }
2
Mg5Si6
hard_negative
false
null
0
0.17253
0.098485
true
[ "metallic" ]
null
mp-1100795
[ "Cl", "Zr" ]
[ 40, 40, 17, 17, 17, 17, 17, 17 ]
8
2
[ [ 0.857431173324585, 0.1429809331893921, 0.000047220000851666555 ], [ 0.14256879687309265, 0.8570190668106079, 0.9999527931213379 ], [ 0.3479098081588745, 0.07469993084669113, 0.7759236097335815 ], [ 0.6667547225952148, 0.756470263004303, 0.7342737317085266 ], [ 0.00019485999655444175, 0.4233230650424957, 0.776238739490509 ], [ 0.9998051524162292, 0.5766769051551819, 0.22376124560832977 ], [ 0.33324530720710754, 0.24352973699569702, 0.265726238489151 ], [ 0.6520901918411255, 0.9253000617027283, 0.22407640516757965 ] ]
{ "a": 6.208256244659424, "b": 6.213161945343018, "c": 7.228299140930176, "alpha": 90.25569915771484, "beta": 115.26729583740234, "gamma": 117.84075164794922 }
2
ZrCl3
general_inorganic
false
null
0.3658
0
-1.960231
false
[ "halide" ]
null
mp-1100921
[ "O", "V" ]
[ 23, 23, 23, 23, 23, 23, 23, 8, 8, 8 ]
10
2
[ [ 0.5, 0.5, 0.5 ], [ 0.6406430006027222, 0.07358100265264511, 0.7757999897003174 ], [ 0.9318060278892517, 0.21612800657749176, 0.3603549897670746 ], [ 0.20908600091934204, 0.35799700021743774, 0.9228450059890747 ], [ 0.790913999080658, 0.6420029997825623, 0.07715500146150589 ], [ 0.06819400191307068, 0.7838720083236694, 0.639644980430603 ], [ 0.35935699939727783, 0.9264190196990967, 0.22419999539852142 ], [ 0.4319300055503845, 0.7193859815597534, 0.8620669841766357 ], [ 0, 0, 0 ], [ 0.5680699944496155, 0.2806139886379242, 0.13793300092220306 ] ]
{ "a": 5.3431925773620605, "b": 5.366734027862549, "c": 5.382319450378418, "alpha": 99.8235092163086, "beta": 99.63629913330078, "gamma": 99.29470825195312 }
2
V7O3
general_inorganic
false
null
0.8213
0.823703
-0.443571
false
[ "oxide" ]
null
mp-1101136
[ "Te", "I" ]
[ 52, 52, 52, 52, 52, 52, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]
30
2
[ [ 0.2159470021724701, 0.7107089757919312, 0.7286890149116516 ], [ 0.49700599908828735, 0.6246629953384399, 0.6288080215454102 ], [ 0.8375099897384644, 0.5446249842643738, 0.5430349707603455 ], [ 0.16248999536037445, 0.45537498593330383, 0.45696499943733215 ], [ 0.5029940009117126, 0.37533700466156006, 0.37119200825691223 ], [ 0.7840530276298523, 0.28929099440574646, 0.2713110148906708 ], [ 0.304394006729126, 0.4049319922924042, 0.7741929888725281 ], [ 0.6284019947052002, 0.3892270028591156, 0.6773229837417603 ], [ 0.7367990016937256, 0.9203709959983826, 0.7397390007972717 ], [ 0.1063390001654625, 0.9127069711685181, 0.6502569913864136 ], [ 0.9376389980316162, 0.329245001077652, 0.5946459770202637 ], [ 0.2457060068845749, 0.25272899866104126, 0.5140359997749329 ], [ 0.4349769949913025, 0.8331080079078674, 0.5697720050811768 ], [ 0.7542939782142639, 0.7472710013389587, 0.48596400022506714 ], [ 0.5650230050086975, 0.16689200699329376, 0.43022799491882324 ], [ 0.8936610221862793, 0.08729299902915955, 0.3497430086135864 ], [ 0.06236099824309349, 0.6707550287246704, 0.40535399317741394 ], [ 0.2632009983062744, 0.07962899655103683, 0.26026099920272827 ], [ 0.3715980052947998, 0.6107730269432068, 0.32267698645591736 ], [ 0.5736470222473145, 0.9210159778594971, 0.18331600725650787 ], [ 0.695605993270874, 0.5950679779052734, 0.22580699622631073 ], [ 0.9573249816894531, 0.7992290258407593, 0.11019500344991684 ], [ 0.06813599914312363, 0.43867599964141846, 0.13930200040340424 ], [ 0.28171899914741516, 0.7241950035095215, 0.02602499909698963 ], [ 0.38356998562812805, 0.3704339861869812, 0.05662300065159798 ], [ 0.7182809710502625, 0.2758049964904785, 0.9739750027656555 ], [ 0.6164299845695496, 0.6295660138130188, 0.9433770179748535 ], [ 0.9318640232086182, 0.5613240003585815, 0.8606979846954346 ], [ 0.04267499968409538, 0.2007710039615631, 0.889805018901825 ], [ 0.42635300755500793, 0.07898399978876114, 0.8166840076446533 ] ]
{ "a": 5.272543907165527, "b": 6.319314002990723, "c": 48.873878479003906, "alpha": 88.95171356201172, "beta": 88.607177734375, "gamma": 83.91242218017578 }
2
TeI4
hard_negative
false
null
0
0.166191
-0.258952
true
[ "halide", "metallic" ]
null
mp-1101148
[ "Rh", "Te" ]
[ 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]
25
2
[ [ 0.5022180080413818, 0.5436959862709045, 0.7082300186157227 ], [ 0.001686000032350421, 0.5401899814605713, 0.7012829780578613 ], [ 0.2604460120201111, 0.7912759780883789, 0.4572399854660034 ], [ 0.24603800475597382, 0.20889200270175934, 0.542701005935669 ], [ 0.753961980342865, 0.7911080121994019, 0.45729899406433105 ], [ 0.7395539879798889, 0.2087240070104599, 0.5427600145339966 ], [ 0.9997220039367676, 0.046904999762773514, 0.20833800733089447 ], [ 0.9983140230178833, 0.4598099887371063, 0.2987169921398163 ], [ 0.5023350119590759, 0.03733000159263611, 0.20389999449253082 ], [ 0.49778199195861816, 0.45630401372909546, 0.29177001118659973 ], [ 0.7444819808006287, 0.2856450080871582, 0.9518629908561707 ], [ 0.7515890002250671, 0.7168049812316895, 0.04748699814081192 ], [ 0.24841099977493286, 0.28319498896598816, 0.9525129795074463 ], [ 0.25551798939704895, 0.7143549919128418, 0.04813700169324875 ], [ 0.4976649880409241, 0.9626700282096863, 0.7961000204086304 ], [ 0.00027799999224953353, 0.953095018863678, 0.7916619777679443 ], [ 0.25450399518013, 0.49968400597572327, 0.5004469752311707 ], [ 0.9933859705924988, 0.24220000207424164, 0.7433680295944214 ], [ 0.00661400007084012, 0.7577999830245972, 0.256632000207901 ], [ 0, 0.5, 0 ], [ 0.7454959750175476, 0.5003160238265991, 0.49955299496650696 ], [ 0.7566149830818176, 0.0017089999746531248, 0.998420000076294 ], [ 0.5073689818382263, 0.7442070245742798, 0.2509720027446747 ], [ 0.4926309883594513, 0.2557930052280426, 0.7490280270576477 ], [ 0.24338500201702118, 0.998291015625, 0.0015800000401213765 ] ]
{ "a": 8.019474029541016, "b": 8.83471393585205, "c": 8.863584518432617, "alpha": 102.81684112548828, "beta": 90.17250061035156, "gamma": 90.23971557617188 }
2
Te16Rh9
hard_negative
false
null
0
0.00172
-0.444036
true
[ "metallic" ]
null
mp-1101909
[ "Cl", "V" ]
[ 23, 23, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
12
2
[ [ 0.394295871257782, 0.9996380805969238, 0.7217910885810852 ], [ 0.605704128742218, 0.00036189999082125723, 0.2782089412212372 ], [ 0.7333272695541382, 0.7780010104179382, 0.5428321361541748 ], [ 0.2666727602481842, 0.22199900448322296, 0.4571678340435028 ], [ 0.6150967478752136, 0.2221338152885437, 0.6496945023536682 ], [ 0.38490328192710876, 0.7778661847114563, 0.3503054678440094 ], [ 0.5724082589149475, 0.7575041055679321, 0.9240580797195435 ], [ 0.4275917410850525, 0.24249592423439026, 0.07594192028045654 ], [ 0.20141518115997314, 0.7697312235832214, 0.7469416856765747 ], [ 0.7985848188400269, 0.23026877641677856, 0.2530583441257477 ], [ 0.06697391718626022, 0.2395889163017273, 0.8271018266677856 ], [ 0.9330260753631592, 0.7604110836982727, 0.17289820313453674 ] ]
{ "a": 6.123785018920898, "b": 6.633422374725342, "c": 9.224547386169434, "alpha": 66.3885726928711, "beta": 70.63313293457031, "gamma": 63.82285690307617 }
2
VCl5
general_inorganic
false
null
1.0398
0
-1.084708
false
[ "halide" ]
null
mp-1102447
[ "Te", "Re" ]
[ 75, 75, 75, 75, 52, 52, 52, 52, 52, 52, 52, 52 ]
12
2
[ [ 0.9892339706420898, 0.7020080089569092, 0.49643799662590027 ], [ 0.010765999555587769, 0.2979919910430908, 0.5035619735717773 ], [ 0.5764899849891663, 0.6785910129547119, 0.4890879988670349 ], [ 0.42350998520851135, 0.3214089870452881, 0.5109120011329651 ], [ 0.9007999897003174, 0.6199700236320496, 0.21740099787712097 ], [ 0.09920000284910202, 0.3800300061702728, 0.7825989723205566 ], [ 0.3530980050563812, 0.6616659760475159, 0.25313299894332886 ], [ 0.6469020247459412, 0.33833399415016174, 0.7468670010566711 ], [ 0.6118810176849365, 0.8928560018539429, 0.7058359980583191 ], [ 0.38811901211738586, 0.10714399814605713, 0.2941640019416809 ], [ 0.1571889966726303, 0.8633210062980652, 0.6782640218734741 ], [ 0.8428109884262085, 0.13667899370193481, 0.32173600792884827 ] ]
{ "a": 7.099841594696045, "b": 7.250396251678467, "c": 7.7513346672058105, "alpha": 73.9206314086914, "beta": 76.09526062011719, "gamma": 61.10476303100586 }
2
ReTe2
general_inorganic
false
null
0.6617
0.058413
-0.376891
false
null
null
mp-1103512
[ "Te", "Ir" ]
[ 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 77, 77, 77, 77, 77 ]
15
2
[ [ 0.7814749479293823, 0.6920934319496155, 0.08708050847053528 ], [ 0.477886438369751, 0.8358954191207886, 0.8863633275032043 ], [ 0.05025912821292877, 0.05113361030817032, 0.6834307909011841 ], [ 0.6294517517089844, 0.2639123797416687, 0.4813188314437866 ], [ 0.2003978192806244, 0.47113174200057983, 0.2762245237827301 ], [ 0.522113561630249, 0.16410458087921143, 0.11363667249679565 ], [ 0.21852503716945648, 0.3079065680503845, 0.9129194617271423 ], [ 0.7996021509170532, 0.5288682579994202, 0.7237755060195923 ], [ 0.3705482482910156, 0.7360876202583313, 0.5186811685562134 ], [ 0.9497408866882324, 0.9488663673400879, 0.3165692090988159 ], [ 0.8581051826477051, 0.5707293152809143, 0.9111363887786865 ], [ 0.4255567193031311, 0.7893465161323547, 0.7035436034202576 ], [ 0, 0, 0.5 ], [ 0.14189481735229492, 0.4292706847190857, 0.08886363357305527 ], [ 0.5744432806968689, 0.21065351366996765, 0.29645636677742004 ] ]
{ "a": 3.992882490158081, "b": 6.813661575317383, "c": 14.602330207824707, "alpha": 97.23023223876953, "beta": 92.42743682861328, "gamma": 106.85322570800781 }
2
Te2Ir
hard_negative
false
null
0
0.032002
-0.334518
true
[ "metallic" ]
null
mp-1103842
[ "P", "Os" ]
[ 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 76, 76, 76 ]
15
2
[ [ 0.8204793930053711, 0.8384946584701538, 0.2151796668767929 ], [ 0.1795206367969513, 0.161505326628685, 0.7848203182220459 ], [ 0.7269666790962219, 0.5728907585144043, 0.5493118762969971 ], [ 0.2730333209037781, 0.4271092712879181, 0.45068812370300293 ], [ 0.793627917766571, 0.2962101995944977, 0.12329930067062378 ], [ 0.20637209713459015, 0.7037898302078247, 0.8767006993293762 ], [ 0.40121233463287354, 0.6334996819496155, 0.10033079236745834 ], [ 0.5987876653671265, 0.3665003180503845, 0.8996692299842834 ], [ 0.34146636724472046, 0.9141624569892883, 0.5613057017326355 ], [ 0.6585336327552795, 0.08583754301071167, 0.4386942982673645 ], [ 0.6081296801567078, 0.829555094242096, 0.7686346769332886 ], [ 0.39187031984329224, 0.17044487595558167, 0.23136533796787262 ], [ 0, 0, 0 ], [ 0.05924839898943901, 0.6282457709312439, 0.32838529348373413 ], [ 0.9407516121864319, 0.3717542290687561, 0.6716147065162659 ] ]
{ "a": 4.730114459991455, "b": 7.170064926147461, "c": 7.557308197021484, "alpha": 111.23267364501953, "beta": 90.3616943359375, "gamma": 100.43006134033203 }
2
P4Os
general_inorganic
false
null
1.3036
0
-0.46139
false
null
null
mp-1104255
[ "F", "Sb" ]
[ 51, 51, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
15
2
[ [ 0.8220316767692566, 0.8738504648208618, 0.2865794003009796 ], [ 0.17796830832958221, 0.12614955008029938, 0.7134206295013428 ], [ 0.5521933436393738, 0.5614266991615295, 0.9022098183631897 ], [ 0.4478066861629486, 0.43857330083847046, 0.0977901965379715 ], [ 0, 0, 0 ], [ 0.15169329941272736, 0.709470272064209, 0.36275380849838257 ], [ 0.8483067154884338, 0.2905297577381134, 0.6372461915016174 ], [ 0.9202672839164734, 0.12938182055950165, 0.2925819158554077 ], [ 0.07973272353410721, 0.8706181645393372, 0.7074180841445923 ], [ 0.6407328844070435, 0.768302857875824, 0.5432329177856445 ], [ 0.35926708579063416, 0.2316971719264984, 0.45676711201667786 ], [ 0.5098366737365723, 0.04530410096049309, 0.16121399402618408 ], [ 0.49016329646110535, 0.9546958804130554, 0.8387860059738159 ], [ 0.7374978065490723, 0.6494150161743164, 0.2226811647415161 ], [ 0.2625022232532501, 0.350585013628006, 0.7773188352584839 ] ]
{ "a": 5.086989402770996, "b": 6.670133590698242, "c": 7.426538467407227, "alpha": 64.15109252929688, "beta": 81.20812225341797, "gamma": 81.00941467285156 }
2
Sb2F13
hard_negative
false
null
0
0
-2.125468
true
[ "halide", "metallic" ]
null
mp-1104577
[ "S", "Mo" ]
[ 42, 42, 42, 42, 42, 42, 16, 16, 16, 16, 16, 16, 16, 16 ]
14
2
[ [ 0.7148370146751404, 0.998803973197937, 0.496643990278244 ], [ 0.2851629853248596, 0.001196000026538968, 0.5033559799194336 ], [ 0.548662006855011, 0.5170419812202454, 0.820393979549408 ], [ 0.451337993144989, 0.48295798897743225, 0.17960600554943085 ], [ 0.023403000086545944, 0.5134959816932678, 0.8088409900665283 ], [ 0.976597011089325, 0.4865039885044098, 0.19115899503231049 ], [ 0.46902400255203247, 0.7862979769706726, 0.053033001720905304 ], [ 0.5309759974479675, 0.213701993227005, 0.9469670057296753 ], [ 0.9458889961242676, 0.7321400046348572, 0.5271829962730408 ], [ 0.05411100015044212, 0.2678599953651428, 0.47281700372695923 ], [ 0.015154999680817127, 0.2053920030593872, 0.9347620010375977 ], [ 0.984844982624054, 0.7946079969406128, 0.06523799896240234 ], [ 0.5554990172386169, 0.2878029942512512, 0.4693619906902313 ], [ 0.44450101256370544, 0.7121970057487488, 0.5306379795074463 ] ]
{ "a": 6.378880023956299, "b": 6.659054279327393, "c": 6.874821186065674, "alpha": 104.16556549072266, "beta": 117.48185729980469, "gamma": 103.8733901977539 }
2
Mo3S4
hard_negative
false
null
0
0.110441
-0.717681
true
[ "sulfide", "metallic" ]
null
mp-11462
[ "K", "Hg" ]
[ 19, 19, 19, 19, 80, 80, 80, 80 ]
8
2
[ [ 0.33088311553001404, 0.20062418282032013, 0.8532294034957886 ], [ 0.6691169142723083, 0.7993758320808411, 0.1467706263065338 ], [ 0.7572020292282104, 0.3406130373477936, 0.5340304374694824 ], [ 0.24279798567295074, 0.6593869924545288, 0.4659695327281952 ], [ 0.11705630272626877, 0.700568437576294, 0.9515438675880432 ], [ 0.8829436898231506, 0.29943156242370605, 0.048456110060214996 ], [ 0.8000335693359375, 0.8981584310531616, 0.708160936832428 ], [ 0.1999664604663849, 0.10184156894683838, 0.2918390929698944 ] ]
{ "a": 6.631585121154785, "b": 6.785758972167969, "c": 7.066329479217529, "alpha": 106.76660919189453, "beta": 101.8041763305664, "gamma": 92.00099182128906 }
2
KHg
hard_negative
false
null
0
0
-0.26119
true
[ "metallic" ]
null
mp-1147691
[ "O", "Fe" ]
[ 26, 26, 26, 26, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
14
2
[ [ 0.3945539891719818, 0.3008109927177429, 0.2924419939517975 ], [ 0.11817599833011627, 0.20319099724292755, 0.7202540040016174 ], [ 0.6054459810256958, 0.6991890072822571, 0.7075579762458801 ], [ 0.8818240165710449, 0.7968090176582336, 0.27974599599838257 ], [ 0.7188220024108887, 0.37630701065063477, 0.5840579867362976 ], [ 0.14171400666236877, 0.1272449940443039, 0.40990400314331055 ], [ 0.28117799758911133, 0.6236929893493652, 0.4159420132637024 ], [ 0.8582860231399536, 0.8727549910545349, 0.5900959968566895 ], [ 0.9170439839363098, 0.7366440296173096, 0.9821460247039795 ], [ 0.08295600116252899, 0.2633560001850128, 0.017853999510407448 ], [ 0.36581000685691833, 0.5325779914855957, 0.8297489881515503 ], [ 0.5120440125465393, 0.9918199777603149, 0.17825700342655182 ], [ 0.634190022945404, 0.4674220085144043, 0.1702509969472885 ], [ 0.4879559874534607, 0.008179999887943268, 0.8217430114746094 ] ]
{ "a": 4.67285680770874, "b": 5.331299781799316, "c": 6.295611381530762, "alpha": 100.43856048583984, "beta": 110.84983825683594, "gamma": 90.68528747558594 }
2
Fe2O5
hard_negative
false
null
0
0.37457
-0.844781
true
[ "oxide", "metallic" ]
null
mp-1173644
[ "Nb", "Te" ]
[ 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]
52
2
[ [ 0.6386399865150452, 0.07323700189590454, 0.2837289869785309 ], [ 0.25265800952911377, 0.7463080286979675, 0.48905301094055176 ], [ 0.7473419904708862, 0.25369200110435486, 0.5109469890594482 ], [ 0.43261098861694336, 0.6220390200614929, 0.6194559931755066 ], [ 0.14555799961090088, 0.5747929811477661, 0.6056699752807617 ], [ 0.9365730285644531, 0.1290850043296814, 0.6215419769287109 ], [ 0.632951021194458, 0.0667480006814003, 0.6030070185661316 ], [ 0.5596830248832703, 0.3673880100250244, 0.7042589783668518 ], [ 0.2508710026741028, 0.7532320022583008, 0.831309974193573 ], [ 0.06899800151586533, 0.868149995803833, 0.6969810128211975 ], [ 0.7473300099372864, 0.25083500146865845, 0.8229770064353943 ], [ 0.42854800820350647, 0.6283180117607117, 0.964106023311615 ], [ 0.1486240029335022, 0.5794990062713623, 0.9439190030097961 ], [ 0.9289550185203552, 0.1369670033454895, 0.9593719840049744 ], [ 0.8513759970664978, 0.4205009937286377, 0.056081000715494156 ], [ 0.6400020122528076, 0.07374099642038345, 0.9339069724082947 ], [ 0.5714520215988159, 0.37168198823928833, 0.0358939990401268 ], [ 0.3599979877471924, 0.9262589812278748, 0.06609299778938293 ], [ 0.2526699900627136, 0.7491649985313416, 0.1770229935646057 ], [ 0.07104499638080597, 0.8630329966545105, 0.04062800109386444 ], [ 0.7491289973258972, 0.24676799774169922, 0.16868999600410461 ], [ 0.4403170049190521, 0.6326119899749756, 0.2957409918308258 ], [ 0.9310020208358765, 0.131850004196167, 0.3030189871788025 ], [ 0.8544420003890991, 0.4252069890499115, 0.3943299949169159 ], [ 0.5673890113830566, 0.37796100974082947, 0.3805440068244934 ], [ 0.3670490086078644, 0.9332519769668579, 0.3969930112361908 ], [ 0.06342700123786926, 0.8709149956703186, 0.3784579932689667 ], [ 0.36136001348495483, 0.9267629981040955, 0.7162709832191467 ], [ 0.3029080033302307, 0.4628159999847412, 0.39420801401138306 ], [ 0.9741129875183105, 0.6826050281524658, 0.4741469919681549 ], [ 0.808152973651886, 0.955606997013092, 0.40357398986816406 ], [ 0.4629310071468353, 0.1920280009508133, 0.47793400287628174 ], [ 0.30963799357414246, 0.46048301458358765, 0.7371580004692078 ], [ 0.024088000878691673, 0.31659799814224243, 0.8519080281257629 ], [ 0.9691050052642822, 0.6819369792938232, 0.8079820275306702 ], [ 0.8107690215110779, 0.9596549868583679, 0.7344110012054443 ], [ 0.6947510242462158, 0.534850001335144, 0.9194830060005188 ], [ 0.529604971408844, 0.8101630210876465, 0.8531759977340698 ], [ 0.4625380039215088, 0.18894800543785095, 0.813057005405426 ], [ 0.18957699835300446, 0.036327000707387924, 0.9280509948730469 ], [ 0.30524900555610657, 0.46514999866485596, 0.0805170014500618 ], [ 0.03089500032365322, 0.31806299090385437, 0.19201800227165222 ], [ 0.9759119749069214, 0.6834020018577576, 0.14809200167655945 ], [ 0.8104230165481567, 0.9636729955673218, 0.07194899767637253 ], [ 0.6903619766235352, 0.5395169854164124, 0.26284199953079224 ], [ 0.5374619960784912, 0.8110520243644714, 0.18694299459457397 ], [ 0.4703949987888336, 0.1898369938135147, 0.14682400226593018 ], [ 0.1892309933900833, 0.040344998240470886, 0.26558899879455566 ], [ 0.02588699944317341, 0.31739500164985657, 0.5258529782295227 ], [ 0.6970919966697693, 0.5371840000152588, 0.6057919859886169 ], [ 0.5370690226554871, 0.8079720139503479, 0.5220659971237183 ], [ 0.19184699654579163, 0.04439299926161766, 0.5964260101318359 ] ]
{ "a": 10.276697158813477, "b": 10.953176498413086, "c": 11.50446605682373, "alpha": 110.38983154296875, "beta": 90.16446685791016, "gamma": 90.8763198852539 }
2
Nb7Te6
hard_negative
false
null
0
0.003047
-0.566789
true
[ "metallic" ]
null
mp-1178831
[ "O", "V" ]
[ 23, 23, 23, 23, 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
22
2
[ [ 0.6498299837112427, 0.7518939971923828, 0.712893009185791 ], [ 0.35016998648643494, 0.2481060028076172, 0.287106990814209 ], [ 0.3298650085926056, 0.9056339859962463, 0.05113000050187111 ], [ 0.6701350212097168, 0.09436599910259247, 0.9488700032234192 ], [ 0.12104000151157379, 0.49653199315071106, 0.1342190057039261 ], [ 0.8789600133895874, 0.5034679770469666, 0.8657810091972351 ], [ 0.799232006072998, 0.4617139995098114, 0.5419589877128601 ], [ 0.20076799392700195, 0.5382859706878662, 0.4580410122871399 ], [ 0.14712999761104584, 0.6529589891433716, 0.9971070289611816 ], [ 0.852869987487793, 0.3470410108566284, 0.0028929999098181725 ], [ 0.37567201256752014, 0.6787769794464111, 0.6231020092964172 ], [ 0.6243280172348022, 0.3212229907512665, 0.37689799070358276 ], [ 0.09892400354146957, 0.6057689785957336, 0.2939850091934204 ], [ 0.9010760188102722, 0.39423099160194397, 0.7060149908065796 ], [ 0.3112730085849762, 0.3823229968547821, 0.1568789929151535 ], [ 0.6887270212173462, 0.6176769733428955, 0.8431209921836853 ], [ 0.6238070130348206, 0.9553080201148987, 0.08363699913024902 ], [ 0.37619298696517944, 0.04469199851155281, 0.916363000869751 ], [ 0.20676599442958832, 0.30503401160240173, 0.4105130136013031 ], [ 0.7932339906692505, 0.6949660181999207, 0.5894870162010193 ], [ 0.7411900162696838, 0.9775819778442383, 0.8034219741821289 ], [ 0.25881001353263855, 0.022417999804019928, 0.1965779960155487 ] ]
{ "a": 6.734973907470703, "b": 8.018207550048828, "c": 10.020946502685547, "alpha": 96.75657653808594, "beta": 99.00839233398438, "gamma": 109.76396942138672 }
2
V4O7
hard_negative
false
null
0
0.415595
-2.112364
true
[ "oxide", "metallic" ]
null
mp-1179504
[ "C", "Si" ]
[ 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
44
2
[ [ 0.8762170076370239, 0.6982020139694214, 0.9469429850578308 ], [ 0.12378299981355667, 0.3017979860305786, 0.053057000041007996 ], [ 0.5163729786872864, 0.5874800086021423, 0.9063630104064941 ], [ 0.48362699151039124, 0.41251999139785767, 0.09363699704408646 ], [ 0.48663800954818726, 0.37561601400375366, 0.7755569815635681 ], [ 0.5133619904518127, 0.6243839859962463, 0.2244430035352707 ], [ 0.01829499937593937, 0.3887920081615448, 0.7511249780654907 ], [ 0.9817050099372864, 0.6112080216407776, 0.24887500703334808 ], [ 0.6926860213279724, 0.33034101128578186, 0.534654974937439 ], [ 0.30731400847435, 0.6696590185165405, 0.46534499526023865 ], [ 0.6292290091514587, 0.577223002910614, 0.6110060214996338 ], [ 0.37077099084854126, 0.422776997089386, 0.3889940083026886 ], [ 0.14215199649333954, 0.5920130014419556, 0.7577890157699585 ], [ 0.8578479886054993, 0.40798699855804443, 0.2422109991312027 ], [ 0.2998569905757904, 0.8318650126457214, 0.7595909833908081 ], [ 0.7001429796218872, 0.16813500225543976, 0.2404090017080307 ], [ 0.21366700530052185, 0.08710099756717682, 0.08938799798488617 ], [ 0.7863330245018005, 0.9128990173339844, 0.9106119871139526 ], [ 0.3235189914703369, 0.970067024230957, 0.864749014377594 ], [ 0.6764810085296631, 0.02993299998342991, 0.1352510005235672 ], [ 0.06497800350189209, 0.008092000149190426, 0.6389189958572388 ], [ 0.9350219964981079, 0.9919080138206482, 0.36108100414276123 ], [ 0.3374670147895813, 0.06824000179767609, 0.3628289997577667 ], [ 0.6625329852104187, 0.9317600131034851, 0.6371709704399109 ], [ 0.03838299959897995, 0.28064000606536865, 0.4268760085105896 ], [ 0.9616169929504395, 0.7193599939346313, 0.5731239914894104 ], [ 0.4589430093765259, 0.1385830044746399, 0.5956770181655884 ], [ 0.5410569906234741, 0.8614169955253601, 0.404323011636734 ], [ 0.03776700049638748, 0.1681309938430786, 0.8235399723052979 ], [ 0.9622330069541931, 0.8318690061569214, 0.17645999789237976 ], [ 0.6038089990615845, 0.18038299679756165, 0.9207980036735535 ], [ 0.3961910009384155, 0.819616973400116, 0.07920199632644653 ], [ 0.1856680065393448, 0.6745669841766357, 0.8661999702453613 ], [ 0.8143320083618164, 0.32543298602104187, 0.13379999995231628 ], [ 0.493910014629364, 0.5401830077171326, 0.7711920142173767 ], [ 0.506089985370636, 0.45981699228286743, 0.22880800068378448 ], [ 0.7367950081825256, 0.40917301177978516, 0.643996000289917 ], [ 0.26320499181747437, 0.5908269882202148, 0.356003999710083 ], [ 0.2827650010585785, 0.09336099773645401, 0.9351209998130798 ], [ 0.7172350287437439, 0.9066389799118042, 0.06487900018692017 ], [ 0.20143799483776093, 0.10085000097751617, 0.7185099720954895 ], [ 0.7985619902610779, 0.899150013923645, 0.2814899981021881 ], [ 0.21480099856853485, 0.12190599739551544, 0.48650699853897095 ], [ 0.785198986530304, 0.8780940175056458, 0.513493001461029 ] ]
{ "a": 5.173160076141357, "b": 11.592514991760254, "c": 12.1360445022583, "alpha": 68.35028076171875, "beta": 86.93840026855469, "gamma": 88.25399780273438 }
2
Si8C3
hard_negative
false
null
0
0.561837
0.394957
true
[ "metallic" ]
null
mp-1179622
[ "N", "S" ]
[ 16, 16, 7, 7 ]
4
2
[ [ 0.36786800622940063, 0.8132820129394531, 0.3103339970111847 ], [ 0.6321319937705994, 0.18671800196170807, 0.6896659731864929 ], [ 0.4687170088291168, 0.18581600487232208, 0.3517700135707855 ], [ 0.5312830209732056, 0.8141840100288391, 0.6482300162315369 ] ]
{ "a": 3.7962310314178467, "b": 4.435006141662598, "c": 4.6198201179504395, "alpha": 99.99675750732422, "beta": 93.16644287109375, "gamma": 91.08085632324219 }
2
SN
general_inorganic
false
null
2.7035
0.532221
0.532221
false
[ "sulfide" ]
null
mp-1179985
[ "P", "Br" ]
[ 15, 15, 35, 35 ]
4
2
[ [ 0.359279990196228, 0.5002430081367493, 0.3681289851665497 ], [ 0.640720009803772, 0.49975699186325073, 0.6318709850311279 ], [ 0.33420199155807495, 0.14498700201511383, 0.7572439908981323 ], [ 0.665798008441925, 0.8550130128860474, 0.24275599420070648 ] ]
{ "a": 4.938562870025635, "b": 5.588940143585205, "c": 6.306059837341309, "alpha": 93.18626403808594, "beta": 96.34378814697266, "gamma": 111.65473937988281 }
2
PBr
general_inorganic
false
null
1.3982
0.25305
-0.27195
false
[ "halide" ]
null
mp-1180041
[ "Cl", "Pd" ]
[ 46, 46, 46, 46, 46, 46, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
18
2
[ [ 0.5934860110282898, 0.8567410111427307, 0.010580999776721 ], [ 0.062212999910116196, 0.3211730122566223, 0.19713999330997467 ], [ 0.1661749929189682, 0.37091800570487976, 0.7097039818763733 ], [ 0.4065139889717102, 0.14325900375843048, 0.9894189834594727 ], [ 0.9377869963645935, 0.6788269877433777, 0.8028600215911865 ], [ 0.8338249921798706, 0.6290820240974426, 0.2902959883213043 ], [ 0.401762992143631, 0.16719099879264832, 0.20371800661087036 ], [ 0.9905210137367249, 0.7683330178260803, 0.9856359958648682 ], [ 0.44654199481010437, 0.18110400438308716, 0.7710850238800049 ], [ 0.5982369780540466, 0.8328089714050293, 0.7962819933891296 ], [ 0.009479000233113766, 0.23166699707508087, 0.014364000409841537 ], [ 0.5534579753875732, 0.8188959956169128, 0.2289150059223175 ], [ 0.7047889828681946, 0.4460979998111725, 0.21036900579929352 ], [ 0.1263899952173233, 0.4416080117225647, 0.36045899987220764 ], [ 0.10627300292253494, 0.013276999816298485, 0.5597689747810364 ], [ 0.29521098732948303, 0.5539019703865051, 0.7896310091018677 ], [ 0.8736100196838379, 0.5583919882774353, 0.63954097032547 ], [ 0.8937270045280457, 0.986723005771637, 0.44023099541664124 ] ]
{ "a": 6.25863790512085, "b": 9.473339080810547, "c": 10.716300964355469, "alpha": 80.7654037475586, "beta": 85.42711639404297, "gamma": 78.45000457763672 }
2
PdCl2
hard_negative
false
null
0
0.282751
-0.303917
true
[ "halide", "metallic" ]
null
mp-1180203
[ "O", "Mo" ]
[ 42, 42, 8, 8, 8, 8, 8, 8, 8, 8 ]
10
2
[ [ 0.25476300716400146, 0.1663540005683899, 0.7962110042572021 ], [ 0.7452369928359985, 0.8336459994316101, 0.20378899574279785 ], [ 0.32006600499153137, 0.24217599630355835, 0.551584005355835 ], [ 0.679934024810791, 0.7578240036964417, 0.44841599464416504 ], [ 0.22950300574302673, 0.9335259795188904, 0.1285810023546219 ], [ 0.7704970240592957, 0.06647399812936783, 0.8714190125465393 ], [ 0.12471199780702591, 0.4194810092449188, 0.8200070261955261 ], [ 0.8752880096435547, 0.5805190205574036, 0.17999300360679626 ], [ 0.4123789966106415, 0.8016759753227234, 0.8143600225448608 ], [ 0.5876209735870361, 0.19832399487495422, 0.18564000725746155 ] ]
{ "a": 3.773688316345215, "b": 6.690173625946045, "c": 7.7992424964904785, "alpha": 63.943485260009766, "beta": 78.6738510131836, "gamma": 74.74324798583984 }
2
MoO4
general_inorganic
false
null
0.498
0.469388
-1.070325
false
[ "oxide" ]
null
mp-1180654
[ "F", "Ni" ]
[ 28, 28, 9, 9, 9, 9, 9, 9 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.05416199937462807, 0.393979012966156, 0.1319810003042221 ], [ 0.7718430161476135, 0.48496198654174805, 0.4670630097389221 ], [ 0.45032799243927, 0.10459999740123749, 0.86456298828125 ], [ 0.9458379745483398, 0.606020987033844, 0.8680189847946167 ], [ 0.22815699875354767, 0.515038013458252, 0.5329369902610779 ], [ 0.54967200756073, 0.8953999876976013, 0.1354369968175888 ] ]
{ "a": 3.2176451683044434, "b": 5.289676666259766, "c": 7.675683975219727, "alpha": 107.769775390625, "beta": 98.9289779663086, "gamma": 90.35740661621094 }
2
NiF3
general_inorganic
false
null
1.7607
0.075802
-1.84286
false
[ "halide" ]
null
mp-1181087
[ "H", "O" ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
36
2
[ [ 0.670553982257843, 0.695061981678009, 0.0425340011715889 ], [ 0.9592199921607971, 0.08405999839305878, 0.37863901257514954 ], [ 0.5281599760055542, 0.5161370038986206, 0.12246999889612198 ], [ 0.3294459879398346, 0.3049379885196686, 0.9574660062789917 ], [ 0.040780000388622284, 0.91593998670578, 0.6213610172271729 ], [ 0.4718399941921234, 0.4838629961013794, 0.8775299787521362 ], [ 0.49147599935531616, 0.7462909817695618, 0.30318599939346313 ], [ 0.05614500120282173, 0.7934340238571167, 0.6421489715576172 ], [ 0.18512000143527985, 0.13558100163936615, 0.16017800569534302 ], [ 0.5085240006446838, 0.25370898842811584, 0.6968140006065369 ], [ 0.9438549876213074, 0.2065660059452057, 0.3578509986400604 ], [ 0.8148800134658813, 0.8644189834594727, 0.839821994304657 ], [ 0.667934000492096, 0.15270699560642242, 0.2674979865550995 ], [ 0.9775679707527161, 0.3286440074443817, 0.6703490018844604 ], [ 0.759896993637085, 0.04013099893927574, 0.9442859888076782 ], [ 0.33206599950790405, 0.8472930192947388, 0.7325019836425781 ], [ 0.022431999444961548, 0.6713560223579407, 0.32965099811553955 ], [ 0.24010300636291504, 0.9598690271377563, 0.05571400001645088 ], [ 0.6202719807624817, 0.5392469763755798, 0.6078130006790161 ], [ 0.5669280290603638, 0.23928600549697876, 0.5413860082626343 ], [ 0.9916970133781433, 0.26148200035095215, 0.8148289918899536 ], [ 0.3797279894351959, 0.4607529938220978, 0.3921869993209839 ], [ 0.4330720007419586, 0.7607139945030212, 0.4586139917373657 ], [ 0.008302999660372734, 0.7385179996490479, 0.1851709932088852 ], [ 0.4934059977531433, 0.22947299480438232, 0.26222801208496094 ], [ 0.36864399909973145, 0.7243180274963379, 0.3850260078907013 ], [ 0.0713139995932579, 0.33851200342178345, 0.7366510033607483 ], [ 0.5065940022468567, 0.7705270051956177, 0.7377719879150391 ], [ 0.6313560009002686, 0.2756820023059845, 0.6149740219116211 ], [ 0.9286860227584839, 0.6614879965782166, 0.2633489966392517 ], [ 0.49101701378822327, 0.3228600025177002, 0.9009349942207336 ], [ 0.8677430152893066, 0.8912590146064758, 0.9185680150985718 ], [ 0.3847160041332245, 0.2928580045700073, 0.4002169966697693 ], [ 0.5089830160140991, 0.6771399974822998, 0.09906499832868576 ], [ 0.13225699961185455, 0.10874100029468536, 0.08143199980258942 ], [ 0.6152840256690979, 0.7071419954299927, 0.5997830033302307 ] ]
{ "a": 5.633148193359375, "b": 6.15201997756958, "c": 10.363862991333008, "alpha": 84.15791320800781, "beta": 76.47290802001953, "gamma": 75.01806640625 }
2
H2O
general_inorganic
false
null
4.3309
0.310177
-0.969826
false
[ "oxide" ]
null
mp-1181184
[ "Na", "Pu" ]
[ 11, 11, 11, 11, 11, 11, 94, 94, 94, 94, 94, 94 ]
12
2
[ [ 0.8523399829864502, 0.19652600586414337, 0.8723170161247253 ], [ 0.5796110033988953, 0.9677029848098755, 0.26653099060058594 ], [ 0.7304660081863403, 0.671101987361908, 0.9351819753646851 ], [ 0.1476600021123886, 0.8034740090370178, 0.12768299877643585 ], [ 0.42038899660110474, 0.03229700028896332, 0.7334690093994141 ], [ 0.26953399181365967, 0.32889801263809204, 0.06481800228357315 ], [ 0.9346029758453369, 0.17937299609184265, 0.46491101384162903 ], [ 0.7207630276679993, 0.4504759907722473, 0.3433170020580292 ], [ 0.2913599908351898, 0.3701449930667877, 0.43719300627708435 ], [ 0.0653970018029213, 0.820626974105835, 0.5350890159606934 ], [ 0.2792370021343231, 0.5495240092277527, 0.6566830277442932 ], [ 0.7086399793624878, 0.6298549771308899, 0.562807023525238 ] ]
{ "a": 5.494786262512207, "b": 6.798058986663818, "c": 9.137290954589844, "alpha": 82.67536926269531, "beta": 78.79428100585938, "gamma": 85.84779357910156 }
2
NaPu
hard_negative
false
null
0
0.469691
0.469691
true
[ "metallic" ]
null
mp-1181732
[ "Se", "Mo" ]
[ 42, 42, 42, 42, 42, 42, 34, 34, 34, 34, 34, 34, 34, 34 ]
14
2
[ [ 0.6027430295944214, 0.8920570015907288, 0.05950399860739708 ], [ 0.36066100001335144, 0.3520149886608124, 0.46841898560523987 ], [ 0.10889700055122375, 0.9768819808959961, 0.23408199846744537 ], [ 0.397257000207901, 0.10794299840927124, 0.940496027469635 ], [ 0.639339029788971, 0.6479849815368652, 0.5315809845924377 ], [ 0.8911030292510986, 0.023118000477552414, 0.7659180164337158 ], [ 0.33079299330711365, 0.26663899421691895, 0.18891599774360657 ], [ 0.862680971622467, 0.32231199741363525, 0.5134109854698181 ], [ 0.8399829864501953, 0.3112109899520874, 0.8843569755554199 ], [ 0.669206976890564, 0.733361005783081, 0.811083972454071 ], [ 0.13731899857521057, 0.6776880025863647, 0.4865890145301819 ], [ 0.1600169986486435, 0.6887890100479126, 0.11564300209283829 ], [ 0.30043599009513855, 0.0757170021533966, 0.6204850077629089 ], [ 0.6995639801025391, 0.9242830276489258, 0.37951499223709106 ] ]
{ "a": 4.721266746520996, "b": 7.926323413848877, "c": 8.83019733428955, "alpha": 97.41938018798828, "beta": 97.55255126953125, "gamma": 99.50894165039062 }
2
Mo3Se4
hard_negative
false
null
0
0.779321
0.136518
true
[ "metallic" ]
null
mp-1181818
[ "O", "Cr" ]
[ 24, 24, 24, 24, 24, 24, 24, 24, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
29
2
[ [ 0.26904699206352234, 0.8015599846839905, 0.5287439823150635 ], [ 0.13710300624370575, 0.20495399832725525, 0.06970900297164917 ], [ 0.3655039966106415, 0.6263759732246399, 0.7553340196609497 ], [ 0.6659489870071411, 0.25175100564956665, 0.9053959846496582 ], [ 0.3340510129928589, 0.7482489943504333, 0.0946040004491806 ], [ 0.8628969788551331, 0.7950459718704224, 0.9302909970283508 ], [ 0.6344959735870361, 0.3736239969730377, 0.2446659952402115 ], [ 0.7309529781341553, 0.19844000041484833, 0.47125598788261414 ], [ 0.09763800352811813, 0.8961319923400879, 0.06309299916028976 ], [ 0.44856300950050354, 0.7618600130081177, 0.23324699699878693 ], [ 0.6256809830665588, 0.34772199392318726, 0.38301900029182434 ], [ 0.19718599319458008, 0.50273197889328, 0.06668999791145325 ], [ 0.9630860090255737, 0.09926199913024902, 0.4156149923801422 ], [ 0.639506995677948, 0.7611280083656311, 0.8065189719200134 ], [ 0.13970600068569183, 0.7378079891204834, 0.8246440291404724 ], [ 0.8215299844741821, 0.35407599806785583, 0.5793889760971069 ], [ 0.860293984413147, 0.2621920108795166, 0.17535600066184998 ], [ 0.35200101137161255, 0.35857200622558594, 0.7736669778823853 ], [ 0.3743189871311188, 0.6522780060768127, 0.616981029510498 ], [ 0.5, 0, 0.5 ], [ 0.5911660194396973, 0.8284739851951599, 0.03239399939775467 ], [ 0.360493004322052, 0.2388720065355301, 0.19348099827766418 ], [ 0.17847000062465668, 0.6459239721298218, 0.4206109941005707 ], [ 0.6479989886283875, 0.6414279937744141, 0.22633300721645355 ], [ 0.8028140068054199, 0.4972679913043976, 0.9333099722862244 ], [ 0.036913998425006866, 0.900738000869751, 0.5843849778175354 ], [ 0.5514370203018188, 0.23814000189304352, 0.7667530179023743 ], [ 0.4088340103626251, 0.1715259999036789, 0.9676060080528259 ], [ 0.9023619890213013, 0.10386800020933151, 0.9369069933891296 ] ]
{ "a": 5.42805814743042, "b": 6.592813491821289, "c": 12.690619468688965, "alpha": 100.36125183105469, "beta": 89.50252532958984, "gamma": 97.35547637939453 }
2
Cr8O21
general_inorganic
false
null
0.8535
0.516302
-1.202183
false
[ "oxide" ]
null
mp-1182556
[ "K", "Pu" ]
[ 19, 19, 19, 19, 19, 19, 94, 94, 94, 94, 94, 94 ]
12
2
[ [ 0.9837939739227295, 0.20176200568675995, 0.1440100073814392 ], [ 0.5321699976921082, 0.8922809958457947, 0.6690189838409424 ], [ 0.44248101115226746, 0.6854789853096008, 0.13174700736999512 ], [ 0.01620600000023842, 0.7982379794120789, 0.8559899926185608 ], [ 0.46783000230789185, 0.10771899670362473, 0.33098098635673523 ], [ 0.5575190186500549, 0.31452101469039917, 0.8682529926300049 ], [ 0.9193040132522583, 0.16957800090312958, 0.5097429752349854 ], [ 0.13145799934864044, 0.32571399211883545, 0.614641010761261 ], [ 0.6880930066108704, 0.4859449863433838, 0.5160369873046875 ], [ 0.0806960016489029, 0.8304219841957092, 0.49025699496269226 ], [ 0.8685420155525208, 0.6742860078811646, 0.385358989238739 ], [ 0.31190699338912964, 0.5140550136566162, 0.4839630126953125 ] ]
{ "a": 5.990969657897949, "b": 6.357051849365234, "c": 13.55711555480957, "alpha": 85.88417053222656, "beta": 84.8016586303711, "gamma": 86.98513793945312 }
2
KPu
hard_negative
false
null
0
0.629184
0.629184
true
[ "metallic" ]
null
mp-1182877
[ "O", "Al" ]
[ 13, 13, 8, 8, 8, 8, 8, 8 ]
8
2
[ [ 0.3878749907016754, 0.6941900253295898, 0.38803398609161377 ], [ 0.6121249794960022, 0.30581000447273254, 0.6119660139083862 ], [ 0.48654600977897644, 0.6217989921569824, 0.7029690146446228 ], [ 0.513454020023346, 0.3782010078430176, 0.2970309853553772 ], [ 0.2900039851665497, 0.024437999352812767, 0.4977790117263794 ], [ 0.7099959850311279, 0.9755619764328003, 0.5022209882736206 ], [ 0.9296990036964417, 0.45159998536109924, 0.06388500332832336 ], [ 0.07030099630355835, 0.5483999848365784, 0.936115026473999 ] ]
{ "a": 4.992189884185791, "b": 5.530492305755615, "c": 5.532064914703369, "alpha": 114.95415496826172, "beta": 115.88765716552734, "gamma": 94.21792602539062 }
2
AlO3
hard_negative
false
null
0
0.878582
-1.263012
true
[ "oxide", "metallic" ]
null
mp-1182887
[ "O", "Al" ]
[ 13, 13, 13, 13, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
16
2
[ [ 0.5205579996109009, 0.8344219923019409, 0.17112399637699127 ], [ 0.4794420003890991, 0.1655779927968979, 0.8288760185241699 ], [ 0.0047160000540316105, 0.6718170046806335, 0.33226001262664795 ], [ 0.9952840209007263, 0.32818299531936646, 0.667739987373352 ], [ 0.245618999004364, 0.92050701379776, 0.2781589925289154 ], [ 0.754381000995636, 0.07949300110340118, 0.7218409776687622 ], [ 0.7151740193367004, 0.41309499740600586, 0.767221987247467 ], [ 0.28482601046562195, 0.5869050025939941, 0.23277799785137177 ], [ 0.13780400156974792, 0.6107550263404846, 0.5795040130615234 ], [ 0.8621960282325745, 0.38924500346183777, 0.42049598693847656 ], [ 0.641963005065918, 0.11636000126600266, 0.0696529969573021 ], [ 0.35803699493408203, 0.8836399912834167, 0.9303470253944397 ], [ 0.7393280267715454, 0.8137909770011902, 0.3880240023136139 ], [ 0.260672003030777, 0.18620899319648743, 0.6119760274887085 ], [ 0.209197998046875, 0.2993920147418976, 0.8864529728889465 ], [ 0.790802001953125, 0.7006080150604248, 0.11354699730873108 ] ]
{ "a": 5.486949920654297, "b": 6.099676132202148, "c": 6.955404758453369, "alpha": 89.73397064208984, "beta": 94.36283874511719, "gamma": 99.13642883300781 }
2
AlO3
hard_negative
false
null
0
0.680064
-1.46153
true
[ "oxide", "metallic" ]
null
mp-1182902
[ "F", "Al" ]
[ 13, 13, 9, 9, 9, 9, 9, 9 ]
8
2
[ [ 0.0001320000010309741, 0.3601149916648865, 0.2660529911518097 ], [ 0.9998679757118225, 0.6398850083351135, 0.7339469790458679 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.4995799958705902, 0.6449480056762695, 0.7291460037231445 ], [ 0.5004199743270874, 0.35505199432373047, 0.27085399627685547 ], [ 0.9812750220298767, 0.7210360169410706, 0.009651999920606613 ], [ 0.018725000321865082, 0.27896401286125183, 0.9903479814529419 ] ]
{ "a": 3.6280179023742676, "b": 5.193281173706055, "c": 5.857437610626221, "alpha": 65.72726440429688, "beta": 88.2924575805664, "gamma": 87.5291976928711 }
2
AlF3
general_inorganic
false
null
7.4904
0.041549
-3.82422
false
[ "halide" ]
null
mp-1187081
[ "Si", "Sn" ]
[ 14, 50, 50, 50 ]
4
2
[ [ 0, 0.5, 0 ], [ 0.5067489743232727, 0.7529619932174683, 0.7725890278816223 ], [ 0.4932509958744049, 0.24703800678253174, 0.22741100192070007 ], [ 0, 0, 0.5 ] ]
{ "a": 4.889904022216797, "b": 5.0033860206604, "c": 5.227876663208008, "alpha": 100.37553405761719, "beta": 110.28002166748047, "gamma": 114.4730453491211 }
2
SiSn3
hard_negative
false
null
0
0.321409
0.321409
true
[ "metallic" ]
null
mp-1188070
[ "Zn", "Sn" ]
[ 30, 30, 30, 30, 30, 30, 50, 50 ]
8
2
[ [ 0.2419469952583313, 0.3164350092411041, 0.16826100647449493 ], [ 0.24307699501514435, 0.849174976348877, 0.1681949943304062 ], [ 0.24069400131702423, 0.8645380139350891, 0.7315040230751038 ], [ 0.7580530047416687, 0.6835650205612183, 0.8317390084266663 ], [ 0.7569230198860168, 0.15082499384880066, 0.8318049907684326 ], [ 0.759306013584137, 0.13546200096607208, 0.26849600672721863 ], [ 0.7817190289497375, 0.6595309972763062, 0.31770598888397217 ], [ 0.21828100085258484, 0.34046900272369385, 0.6822940111160278 ] ]
{ "a": 4.524374961853027, "b": 5.834029197692871, "c": 6.756640434265137, "alpha": 114.38382720947266, "beta": 104.05113220214844, "gamma": 91.73455810546875 }
2
Zn3Sn
hard_negative
false
null
0
0.098808
0.098808
true
[ "metallic" ]
null
mp-1188454
[ "O", "Pb" ]
[ 82, 82, 82, 82, 82, 82, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
18
2
[ [ 0.25299501419067383, 0.9326099753379822, 0.642274022102356 ], [ 0.7470049858093262, 0.06739000231027603, 0.35772600769996643 ], [ 0.25199198722839355, 0.3993319869041443, 0.5794450044631958 ], [ 0.7480080127716064, 0.6006680130958557, 0.4205549955368042 ], [ 0.2392529994249344, 0.7191240191459656, 0.12410400062799454 ], [ 0.7607470154762268, 0.2808760106563568, 0.8758959770202637 ], [ 0.4667530059814453, 0.39333799481391907, 0.16056999564170837 ], [ 0.5332469940185547, 0.6066619753837585, 0.8394299745559692 ], [ 0.07901500165462494, 0.4303460121154785, 0.17560899257659912 ], [ 0.9209849834442139, 0.5696539878845215, 0.8243910074234009 ], [ 0.23918600380420685, 0.2052299976348877, 0.9821360111236572 ], [ 0.7608140110969543, 0.7947700023651123, 0.01786400005221367 ], [ 0.2537209987640381, 0.19918300211429596, 0.26221999526023865 ], [ 0.7462790012359619, 0.8008170127868652, 0.737779974937439 ], [ 0.0029430000577121973, 0.17964699864387512, 0.6223459839820862 ], [ 0.9970570206642151, 0.8203529715538025, 0.37765398621559143 ], [ 0.5048249959945679, 0.18541499972343445, 0.6253989934921265 ], [ 0.49517500400543213, 0.8145849704742432, 0.37460100650787354 ] ]
{ "a": 5.86798095703125, "b": 7.3516106605529785, "c": 7.469907283782959, "alpha": 104.33460235595703, "beta": 90.40377044677734, "gamma": 90.57054901123047 }
2
PbO2
hard_negative
false
null
0.0353
0.730154
-0.569493
false
[ "oxide" ]
null
mp-1188913
[ "S", "Cs" ]
[ 55, 55, 55, 55, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
16
2
[ [ 0.044385649263858795, 0.3267274498939514, 0.09602159261703491 ], [ 0.9556143283843994, 0.6732725501060486, 0.9039784073829651 ], [ 0.10693348199129105, 0.6920011639595032, 0.38756874203681946 ], [ 0.8930665254592896, 0.3079988360404968, 0.6124312877655029 ], [ 0.5357080698013306, 0.6524738669395447, 0.1482158750295639 ], [ 0.46429190039634705, 0.3475261628627777, 0.8517841100692749 ], [ 0.5772585868835449, 0.3881472647190094, 0.32956358790397644 ], [ 0.4227413833141327, 0.611852765083313, 0.6704363822937012 ], [ 0.5142484903335571, 0.8598555326461792, 0.10331445932388306 ], [ 0.48575150966644287, 0.1401444673538208, 0.8966855406761169 ], [ 0.7975946068763733, 0.9863834381103516, 0.2100445181131363 ], [ 0.2024054229259491, 0.013616570271551609, 0.7899554967880249 ], [ 0.6427567005157471, 0.035619501024484634, 0.37083765864372253 ], [ 0.35724326968193054, 0.9643805027008057, 0.6291623115539551 ], [ 0.36880409717559814, 0.20940493047237396, 0.3637230098247528 ], [ 0.6311959028244019, 0.7905950546264648, 0.6362770199775696 ] ]
{ "a": 4.746732711791992, "b": 9.31531047821045, "c": 11.651603698730469, "alpha": 95.06536102294922, "beta": 95.3074951171875, "gamma": 89.59981536865234 }
2
CsS3
general_inorganic
false
null
1.6567
0
-0.655204
false
[ "sulfide" ]
null
mp-1189572
[ "S", "As" ]
[ 33, 33, 33, 33, 33, 33, 33, 33, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
20
2
[ [ 0.3926953375339508, 0.3590379059314728, 0.3245958089828491 ], [ 0.6073046922683716, 0.6409620642662048, 0.6754041910171509 ], [ 0.8201600909233093, 0.1719188541173935, 0.1663993000984192 ], [ 0.17983989417552948, 0.8280811309814453, 0.8336006999015808 ], [ 0.37621861696243286, 0.6751261949539185, 0.1699104607105255 ], [ 0.6237813830375671, 0.32487383484840393, 0.8300895690917969 ], [ 0.933480441570282, 0.8607218265533447, 0.32857000827789307 ], [ 0.06651958078145981, 0.13927817344665527, 0.6714299917221069 ], [ 0.9035563468933105, 0.9223566651344299, 0.12666158378124237 ], [ 0.09644366800785065, 0.07764331996440887, 0.8733384013175964 ], [ 0.5063501596450806, 0.12241373211145401, 0.24624782800674438 ], [ 0.4936498701572418, 0.8775862455368042, 0.7537521719932556 ], [ 0.7544262409210205, 0.6240116357803345, 0.25363418459892273 ], [ 0.2455737292766571, 0.3759883642196655, 0.7463658452033997 ], [ 0.05990656837821007, 0.27023351192474365, 0.368149071931839 ], [ 0.940093457698822, 0.7297664880752563, 0.6318508982658386 ], [ 0.30209216475486755, 0.770675539970398, 0.37153899669647217 ], [ 0.6979078650474548, 0.22932447493076324, 0.6284610033035278 ], [ 0.25503775477409363, 0.42605507373809814, 0.12483347952365875 ], [ 0.744962215423584, 0.5739449262619019, 0.8751665353775024 ] ]
{ "a": 5.814321041107178, "b": 8.956945419311523, "c": 10.597208976745605, "alpha": 101.23621368408203, "beta": 103.22676086425781, "gamma": 89.91002655029297 }
2
As2S3
general_inorganic
false
null
1.9873
0
-0.15651
false
[ "sulfide" ]
null
mp-1190736
[ "Al", "Ca" ]
[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 13, 13, 13, 13, 13, 13 ]
22
2
[ [ 0.5318933725357056, 0.7009516954421997, 0.6500290036201477 ], [ 0.46810662746429443, 0.2990483343601227, 0.3499710261821747 ], [ 0.07932168990373611, 0.23067064583301544, 0.10620950907468796 ], [ 0.9206783175468445, 0.7693293690681458, 0.8937904834747314 ], [ 0.8791381120681763, 0.4012298583984375, 0.6495202779769897 ], [ 0.12086191028356552, 0.5987701416015625, 0.35047972202301025 ], [ 0.33247801661491394, 0.8776085376739502, 0.10935389250516891 ], [ 0.6675220131874084, 0.12239144742488861, 0.8906461000442505 ], [ 0.9597324728965759, 0.06096955016255379, 0.6696136593818665 ], [ 0.040267519652843475, 0.9390304684638977, 0.33038637042045593 ], [ 0.7020414471626282, 0.49846261739730835, 0.10972070693969727 ], [ 0.2979585528373718, 0.5015373826026917, 0.8902792930603027 ], [ 0.7747495174407959, 0.15270525217056274, 0.30023983120918274 ], [ 0.2252504527568817, 0.8472947478294373, 0.6997601389884949 ], [ 0.5458411574363708, 0.712195873260498, 0.29818224906921387 ], [ 0.45415881276130676, 0.28780412673950195, 0.7018177509307861 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0.17293012142181396, 0.3370821475982666, 0.5002674460411072 ], [ 0.827069878578186, 0.6629178524017334, 0.49973252415657043 ], [ 0.676045298576355, 0.8406624794006348, 0.026521889492869377 ], [ 0.3239547312259674, 0.15933753550052643, 0.9734781384468079 ] ]
{ "a": 9.470780372619629, "b": 9.554462432861328, "c": 9.623631477355957, "alpha": 99.08264923095703, "beta": 100.96672058105469, "gamma": 119.70375061035156 }
2
Ca8Al3
hard_negative
false
null
0
0
-0.176105
true
[ "metallic" ]
null
mp-1191193
[ "B", "Bi" ]
[ 83, 83, 83, 83, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5 ]
24
2
[ [ 0.6417999863624573, 0.8771510124206543, 0.10208100080490112 ], [ 0.3582000136375427, 0.1228490024805069, 0.8979189991950989 ], [ 0.5703020095825195, 0.9156399965286255, 0.39368298649787903 ], [ 0.42969799041748047, 0.08436000347137451, 0.6063169836997986 ], [ 0.7517769932746887, 0.004145999904721975, 0.35075199604034424 ], [ 0.24822300672531128, 0.9958540201187134, 0.6492480039596558 ], [ 0.7774749994277954, 0.963936984539032, 0.25030800700187683 ], [ 0.2225250005722046, 0.036063000559806824, 0.7496920228004456 ], [ 0.6692119836807251, 0.7505009770393372, 0.2236340045928955 ], [ 0.3307879865169525, 0.24949899315834045, 0.7763659954071045 ], [ 0.6198670268058777, 0.7439990043640137, 0.3179300129413605 ], [ 0.3801330029964447, 0.25600099563598633, 0.6820700168609619 ], [ 0.8157299757003784, 0.9164860248565674, 0.43831300735473633 ], [ 0.1842699944972992, 0.08351399749517441, 0.5616869926452637 ], [ 0.8863149881362915, 0.9379870295524597, 0.3528119921684265 ], [ 0.1136849969625473, 0.06201300024986267, 0.6471880078315735 ], [ 0.8188459873199463, 0.8277130126953125, 0.2721399962902069 ], [ 0.18115399777889252, 0.1722870022058487, 0.7278599739074707 ], [ 0.7744190096855164, 0.7170850038528442, 0.3252510130405426 ], [ 0.22558100521564484, 0.28291499614715576, 0.6747490167617798 ], [ 0.7460539937019348, 0.782010018825531, 0.42045098543167114 ], [ 0.2539460062980652, 0.2179899960756302, 0.5795490145683289 ], [ 0.8891639709472656, 0.8115900158882141, 0.3990260064601898 ], [ 0.11083599925041199, 0.18840999901294708, 0.6009740233421326 ] ]
{ "a": 10.679691314697266, "b": 11.72929859161377, "c": 14.955662727355957, "alpha": 93.053955078125, "beta": 108.53129577636719, "gamma": 93.70751190185547 }
2
BiB5
hard_negative
false
null
0
1.190289
1.190289
true
[ "metallic" ]
null
mp-1191538
[ "Ca", "In" ]
[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 49, 49, 49, 49, 49, 49 ]
22
2
[ [ 0.601554811000824, 0.9390446543693542, 0.6699873805046082 ], [ 0.668819010257721, 0.29861029982566833, 0.6501561999320984 ], [ 0.29742732644081116, 0.5006045699119568, 0.11048693209886551 ], [ 0.33118095993995667, 0.7013896703720093, 0.3498438000679016 ], [ 0.04480310156941414, 0.12228444963693619, 0.10959597676992416 ], [ 0.398445188999176, 0.060955338180065155, 0.33001258969306946 ], [ 0.3482007086277008, 0.2303987443447113, 0.8930215239524841 ], [ 0.02130137011408806, 0.5986798405647278, 0.6482499241828918 ], [ 0.6517993211746216, 0.7696012258529663, 0.10697848349809647 ], [ 0.8787529468536377, 0.8477543592453003, 0.2994913160800934 ], [ 0.6673740744590759, 0.2910321354866028, 0.29657426476478577 ], [ 0.9551969170570374, 0.877715528011322, 0.8904040455818176 ], [ 0.1212470680475235, 0.1522456407546997, 0.7005086541175842 ], [ 0.3326259255409241, 0.7089678645133972, 0.7034257650375366 ], [ 0.9786986112594604, 0.40132012963294983, 0.35175007581710815 ], [ 0.7025726437568665, 0.4993954300880432, 0.8895130753517151 ], [ 0, 0, 0.5 ], [ 0.33636894822120667, 0.8399466872215271, 0.9734185338020325 ], [ 0.663631021976471, 0.1600532829761505, 0.02658149041235447 ], [ 0.33622491359710693, 0.33708471059799194, 0.4996788799762726 ], [ 0, 0.5, 0 ], [ 0.6637750864028931, 0.6629152894020081, 0.500321090221405 ] ]
{ "a": 9.591168403625488, "b": 9.68116569519043, "c": 9.75208854675293, "alpha": 69.72129821777344, "beta": 79.01057434082031, "gamma": 60.31013488769531 }
2
Ca8In3
hard_negative
false
null
0
0
-0.417591
true
[ "metallic" ]
null
mp-1192827
[ "In", "Eu" ]
[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 49, 49, 49, 49, 49, 49 ]
22
2
[ [ 0.9590740203857422, 0.06061900034546852, 0.6700829863548279 ], [ 0.040925998240709305, 0.9393810033798218, 0.3299170136451721 ], [ 0.922681987285614, 0.7709590196609497, 0.8927270174026489 ], [ 0.07731799781322479, 0.2290409952402115, 0.10727299749851227 ], [ 0.5348719954490662, 0.7011430263519287, 0.6478419899940491 ], [ 0.46512800455093384, 0.2988570034503937, 0.3521580100059509 ], [ 0.7025790214538574, 0.49994900822639465, 0.11351999640464783 ], [ 0.29742100834846497, 0.5000510215759277, 0.8864799737930298 ], [ 0.8787930011749268, 0.39927399158477783, 0.6453040242195129 ], [ 0.12120699882507324, 0.6007260084152222, 0.35469600558280945 ], [ 0.6674820184707642, 0.12065999954938889, 0.8868160247802734 ], [ 0.3325180113315582, 0.8793399930000305, 0.11318399757146835 ], [ 0.5367820262908936, 0.7058519721031189, 0.2934730052947998 ], [ 0.46321800351142883, 0.2941479980945587, 0.7065269947052002 ], [ 0.7698730230331421, 0.155007004737854, 0.2956730127334595 ], [ 0.2301270067691803, 0.844992995262146, 0.7043269872665405 ], [ 0.8281329870223999, 0.6630859971046448, 0.49945199489593506 ], [ 0.1718669980764389, 0.3369140028953552, 0.5005480051040649 ], [ 0.6742839813232422, 0.8377050161361694, 0.025645999237895012 ], [ 0.3257159888744354, 0.16229499876499176, 0.9743540287017822 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 9.927176475524902, "b": 9.980122566223145, "c": 10.074935913085938, "alpha": 99.12743377685547, "beta": 101.19418334960938, "gamma": 119.47931671142578 }
2
Eu8In3
hard_negative
false
null
0
0
-0.27414
true
[ "metallic" ]
null
mp-1193697
[ "S", "Ge" ]
[ 32, 32, 32, 32, 32, 32, 32, 32, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
28
2
[ [ 0.1122559979557991, 0.22264300286769867, 0.9814280271530151 ], [ 0.8877440094947815, 0.7773569822311401, 0.018572000786662102 ], [ 0.3806670010089874, 0.5022590160369873, 0.17959100008010864 ], [ 0.619333028793335, 0.4977410137653351, 0.8204089999198914 ], [ 0.19029399752616882, 0.3055039942264557, 0.3529149889945984 ], [ 0.8097059726715088, 0.6944959759712219, 0.6470850110054016 ], [ 0.5212399959564209, 0.1693280041217804, 0.2641980051994324 ], [ 0.4787600040435791, 0.830672025680542, 0.7358019948005676 ], [ 0.9840899705886841, 0.2200459986925125, 0.13616199791431427 ], [ 0.01590999960899353, 0.7799540162086487, 0.8638380169868469 ], [ 0.26680099964141846, 0.5213029980659485, 0.34468498826026917 ], [ 0.7331990003585815, 0.4786970019340515, 0.6553149819374084 ], [ 0.33063000440597534, 0.07591699808835983, 0.04352099820971489 ], [ 0.6693699955940247, 0.9240829944610596, 0.956479012966156 ], [ 0.4195050001144409, 0.1699499934911728, 0.43713000416755676 ], [ 0.5804949998855591, 0.830049991607666, 0.5628700256347656 ], [ 0.6187620162963867, 0.3760339915752411, 0.2507280111312866 ], [ 0.38123801350593567, 0.6239659786224365, 0.7492719888687134 ], [ 0.1882849931716919, 0.4310089945793152, 0.9521759748458862 ], [ 0.8117150068283081, 0.5689910054206848, 0.04782399907708168 ], [ 0.0792429968714714, 0.3100639879703522, 0.5129899978637695 ], [ 0.920756995677948, 0.6899359822273254, 0.48701000213623047 ], [ 0.9135159850120544, 0.1520179957151413, 0.764726996421814 ], [ 0.08648400008678436, 0.8479819893836975, 0.23527300357818604 ], [ 0.748324990272522, 0.04051100090146065, 0.3385240137577057 ], [ 0.251675009727478, 0.9594889879226685, 0.6614760160446167 ], [ 0.4583219885826111, 0.7102259993553162, 0.17062799632549286 ], [ 0.5416780114173889, 0.28977400064468384, 0.829371988773346 ] ]
{ "a": 8.570500373840332, "b": 9.881608963012695, "c": 10.124882698059082, "alpha": 94.82568359375, "beta": 114.94422912597656, "gamma": 89.05661010742188 }
2
Ge2S5
hard_negative
false
null
0
0.287499
-0.281098
true
[ "sulfide", "metallic" ]
null
mp-1194075
[ "N", "Co" ]
[ 27, 27, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]
26
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.8461130261421204, 0.9297249913215637, 0.9201200008392334 ], [ 0.15388700366020203, 0.07027500122785568, 0.0798799991607666 ], [ 0.7871149778366089, 0.7886710166931152, 0.98744797706604 ], [ 0.21288500726222992, 0.21132899820804596, 0.012551999650895596 ], [ 0.7256850004196167, 0.6575539708137512, 0.041756998747587204 ], [ 0.2743149995803833, 0.3424459993839264, 0.9582430124282837 ], [ 0.11344300210475922, 0.129380002617836, 0.8098509907722473 ], [ 0.8865569829940796, 0.8706200122833252, 0.1901489943265915 ], [ 0.10876200348138809, 0.09493400156497955, 0.7064800262451172 ], [ 0.8912379741668701, 0.9050660133361816, 0.2935200035572052 ], [ 0.11184599995613098, 0.07105199992656708, 0.602258026599884 ], [ 0.8881539702415466, 0.9289479851722717, 0.39774200320243835 ], [ 0.340175986289978, 0.4856950044631958, 0.3910459876060486 ], [ 0.659824013710022, 0.5143049955368042, 0.6089540123939514 ], [ 0.3850080072879791, 0.35774898529052734, 0.3392229974269867 ], [ 0.6149920225143433, 0.6422510147094727, 0.6607769727706909 ], [ 0.4079279899597168, 0.24722500145435333, 0.2848939895629883 ], [ 0.5920720100402832, 0.7527750134468079, 0.7151060104370117 ], [ 0.23054499924182892, 0.74965500831604, 0.01130400039255619 ], [ 0.7694550156593323, 0.25034499168395996, 0.9886959791183472 ], [ 0.44433799386024475, 0.7742900252342224, 0.3801349997520447 ], [ 0.5556619763374329, 0.22571000456809998, 0.6198650002479553 ], [ 0.7551069855690002, 0.41551700234413147, 0.38162699341773987 ], [ 0.24489299952983856, 0.5844830274581909, 0.6183729767799377 ] ]
{ "a": 7.087536811828613, "b": 7.893102169036865, "c": 10.313972473144531, "alpha": 65.00296783447266, "beta": 73.87028503417969, "gamma": 64.15629577636719 }
2
CoN12
general_inorganic
false
null
0.3277
1.577844
1.577844
false
null
null
mp-1194653
[ "Na", "P" ]
[ 11, 11, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]
32
2
[ [ 0.7901099324226379, 0.7873340249061584, 0.0025726999156177044 ], [ 0.20989006757736206, 0.21266597509384155, 0.9974272847175598 ], [ 0.6613510251045227, 0.3128872811794281, 0.5726988315582275 ], [ 0.3386490046977997, 0.6871126890182495, 0.4273011386394501 ], [ 0.7065288424491882, 0.13573986291885376, 0.8315134644508362 ], [ 0.2934711277484894, 0.8642601370811462, 0.16848653554916382 ], [ 0.34081265330314636, 0.8076222538948059, 0.8542373776435852 ], [ 0.6591873168945312, 0.19237776100635529, 0.145762637257576 ], [ 0.7420815825462341, 0.5164886116981506, 0.8309369087219238 ], [ 0.25791841745376587, 0.483511358499527, 0.16906312108039856 ], [ 0.5263248085975647, 0.920649528503418, 0.728079617023468 ], [ 0.4736752212047577, 0.07935050129890442, 0.2719203531742096 ], [ 0.5074361562728882, 0.2817144989967346, 0.8295919895172119 ], [ 0.4925638437271118, 0.7182855010032654, 0.17040804028511047 ], [ 0.9861384630203247, 0.5567054152488708, 0.1666434407234192 ], [ 0.01386152021586895, 0.44329458475112915, 0.8333565592765808 ], [ 0.02396720089018345, 0.9013203382492065, 0.6682963371276855 ], [ 0.9760327935218811, 0.09867963939905167, 0.33170363306999207 ], [ 0.20555879175662994, 0.596865713596344, 0.7312703728675842 ], [ 0.7944412231445312, 0.4031342566013336, 0.26872962713241577 ], [ 0.8860859870910645, 0.24331294000148773, 0.7040504813194275 ], [ 0.11391401290893555, 0.7566870450973511, 0.2959495484828949 ], [ 0.6186916828155518, 0.7639338374137878, 0.35874685645103455 ], [ 0.38130828738212585, 0.23606619238853455, 0.6412531137466431 ], [ 0.10963194817304611, 0.9123730063438416, 0.8534268140792847 ], [ 0.8903680443763733, 0.08762700855731964, 0.14657318592071533 ], [ 0.6916226744651794, 0.5450092554092407, 0.64276522397995 ], [ 0.30837732553482056, 0.4549907147884369, 0.35723477602005005 ], [ 0.9866876602172852, 0.6633249521255493, 0.6022623181343079 ], [ 0.013312360271811485, 0.3366750478744507, 0.3977377116680145 ], [ 0.30725666880607605, 0.9888169169425964, 0.6000843644142151 ], [ 0.6927433609962463, 0.01118308026343584, 0.3999156057834625 ] ]
{ "a": 7.121889591217041, "b": 9.20999813079834, "c": 11.750520706176758, "alpha": 92.56014251708984, "beta": 98.99250793457031, "gamma": 108.29080200195312 }
2
NaP15
general_inorganic
false
null
1.4966
0
-0.096047
false
null
null
mp-1195243
[ "P", "Ag" ]
[ 47, 47, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]
32
2
[ [ 0.3421660363674164, 0.7244452238082886, 0.5056424736976624 ], [ 0.6578339338302612, 0.27555474638938904, 0.49435752630233765 ], [ 0.9514440298080444, 0.561562716960907, 0.8095285296440125 ], [ 0.04855595901608467, 0.4384373128414154, 0.19047148525714874 ], [ 0.9588402509689331, 0.9965890645980835, 0.6543766260147095 ], [ 0.0411597415804863, 0.0034109100233763456, 0.34562334418296814 ], [ 0.9015188217163086, 0.7802496552467346, 0.20963315665721893 ], [ 0.09848114848136902, 0.21975035965442657, 0.7903668284416199 ], [ 0.8538397550582886, 0.5484582781791687, 0.6205572485923767 ], [ 0.14616024494171143, 0.4515417516231537, 0.3794427514076233 ], [ 0.7893322110176086, 0.8798581957817078, 0.7761213183403015 ], [ 0.21066777408123016, 0.12014178931713104, 0.22387869656085968 ], [ 0.7368172407150269, 0.6857930421829224, 0.3419516682624817 ], [ 0.26318275928497314, 0.3142069876194, 0.6580483317375183 ], [ 0.6846734881401062, 0.4896013140678406, 0.8925008773803711 ], [ 0.3153265416622162, 0.5103986859321594, 0.10749910026788712 ], [ 0.665203332901001, 0.8325072526931763, 0.08006837218999863 ], [ 0.33479663729667664, 0.16749271750450134, 0.9199316501617432 ], [ 0.6212984919548035, 0.6533758640289307, 0.6462177634239197 ], [ 0.37870150804519653, 0.3466241657733917, 0.3537822663784027 ], [ 0.6052314043045044, 0.23226991295814514, 0.8430963158607483 ], [ 0.3947685956954956, 0.7677301168441772, 0.1569036990404129 ], [ 0.5418378710746765, 0.8371229767799377, 0.35102397203445435 ], [ 0.4581620991230011, 0.16287702322006226, 0.6489760279655457 ], [ 0.451072633266449, 0.544350802898407, 0.774325966835022 ], [ 0.548927366733551, 0.455649197101593, 0.22567404806613922 ], [ 0.29982882738113403, 0.9196529984474182, 0.843121349811554 ], [ 0.700171172618866, 0.08034703135490417, 0.15687866508960724 ], [ 0.23254618048667908, 0.9199134707450867, 0.6471158266067505 ], [ 0.7674538493156433, 0.08008652180433273, 0.3528841733932495 ], [ 0.014662300236523151, 0.8143488168716431, 0.8943029046058655 ], [ 0.9853376746177673, 0.18565118312835693, 0.10569708049297333 ] ]
{ "a": 7.141303539276123, "b": 9.077816009521484, "c": 11.472064971923828, "alpha": 100.32955169677734, "beta": 97.6631851196289, "gamma": 107.34785461425781 }
2
AgP15
general_inorganic
false
null
1.2132
0.016389
0.002923
false
null
null
mp-1195459
[ "C", "F" ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
64
2
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2
C3F5
general_inorganic
false
null
4.5774
0.231314
-1.256315
false
[ "halide" ]
null
mp-1196402
[ "Mn", "Ga" ]
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70
2
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2
Mn6Ga29
hard_negative
false
null
0
0.007107
-0.113235
true
[ "metallic" ]
null
mp-1197857
[ "O", "W" ]
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32
2
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2
WO3
general_inorganic
false
null
1.6735
0.009821
-2.18104
false
[ "oxide" ]
null
mp-1199780
[ "V", "Bi" ]
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108
2
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{ "a": 10.934300422668457, "b": 17.641557693481445, "c": 17.67500877380371, "alpha": 71.85759735107422, "beta": 88.34760284423828, "gamma": 88.42400360107422 }
2
V4Bi23
hard_negative
false
null
0
0.290594
0.290594
true
[ "metallic" ]
null
mp-1203833
[ "Ga", "Mo" ]
[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]
74
2
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{ "a": 9.583884239196777, "b": 9.585820198059082, "c": 14.579352378845215, "alpha": 80.82978057861328, "beta": 87.00401306152344, "gamma": 85.4964370727539 }
2
Ga31Mo6
hard_negative
false
null
0
0
-0.135912
true
[ "metallic" ]
null
mp-1204070
[ "O", "Si" ]
[ 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
54
2
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{ "a": 8.323066711425781, "b": 8.324509620666504, "c": 10.426844596862793, "alpha": 89.72019958496094, "beta": 89.65129089355469, "gamma": 60.027130126953125 }
2
SiO2
general_inorganic
false
null
4.4735
0.299475
-2.973357
false
[ "oxide", "silicate" ]
null
mp-1204545
[ "O", "V" ]
[ 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
76
2
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{ "a": 10.54444408416748, "b": 10.682900428771973, "c": 17.369592666625977, "alpha": 83.31322479248047, "beta": 86.88142395019531, "gamma": 70.67156219482422 }
2
V5O14
hard_negative
false
null
0
0.203923
-1.904387
true
[ "oxide", "metallic" ]
null
mp-1204718
[ "O", "Mn" ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
80
2
[ [ 0.2488030046224594, 0.744189977645874, 0.7556099891662598 ], [ 0.7511969804763794, 0.2558099925518036, 0.24438999593257904 ], [ 0.24962399899959564, 0.24708500504493713, 0.7544999718666077 ], [ 0.7503759860992432, 0.7529150247573853, 0.24549999833106995 ], [ 0.7488890290260315, 0.2498989999294281, 0.7538520097732544 ], [ 0.2511110007762909, 0.7501009702682495, 0.2461480051279068 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.7642269730567932, 0.7647020220756531, 0.7135040163993835 ], [ 0.2357729971408844, 0.23529799282550812, 0.28649601340293884 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.8614439964294434, 0.8650950193405151, 0.88155597448349 ], [ 0.13855600357055664, 0.13490499556064606, 0.11844400316476822 ], [ 0.3872990012168884, 0.8624150156974792, 0.883230984210968 ], [ 0.6127009987831116, 0.13758499920368195, 0.11676900088787079 ], [ 0.8661090135574341, 0.3902359902858734, 0.8823609948158264 ], [ 0.1338910013437271, 0.6097639799118042, 0.11763899773359299 ], [ 0.3693290054798126, 0.8851739764213562, 0.3788889944553375 ], [ 0.6306710243225098, 0.11482600122690201, 0.6211109757423401 ], [ 0.36588698625564575, 0.36673301458358765, 0.3798789978027344 ], [ 0.6341130137443542, 0.6332669854164124, 0.6201210021972656 ], [ 0.8809909820556641, 0.368927001953125, 0.3812899887561798 ], [ 0.11900900304317474, 0.631072998046875, 0.6187099814414978 ], [ 0.38951098918914795, 0.38674500584602356, 0.8378819823265076 ], [ 0.610489010810852, 0.6132550239562988, 0.16211800277233124 ], [ 0.886106014251709, 0.8843259811401367, 0.34751200675964355 ], [ 0.11389400064945221, 0.11567399650812149, 0.6524879932403564 ], [ 0.2765829861164093, 0.7305189967155457, 0.9309539794921875 ], [ 0.7234169840812683, 0.26948100328445435, 0.06904599815607071 ], [ 0.06157999858260155, 0.28209298849105835, 0.9295139908790588 ], [ 0.9384199976921082, 0.7179070115089417, 0.07048600167036057 ], [ 0.7265580296516418, 0.05907199904322624, 0.9258999824523926 ], [ 0.27344200015068054, 0.9409279823303223, 0.07410000264644623 ], [ 0.021273000165820122, 0.4782550036907196, 0.3184269964694977 ], [ 0.9787269830703735, 0.5217450261116028, 0.6815729737281799 ], [ 0.18180599808692932, 0.02333500050008297, 0.3200699985027313 ], [ 0.8181939721107483, 0.9766650199890137, 0.6799299716949463 ], [ 0.4911159873008728, 0.18159399926662445, 0.3187749981880188 ], [ 0.5088840126991272, 0.8184059858322144, 0.6812250018119812 ], [ 0.21966500580310822, 0.7658209800720215, 0.5787760019302368 ], [ 0.780335009098053, 0.23417900502681732, 0.4212239980697632 ], [ 0.43685001134872437, 0.20897099375724792, 0.5817559957504272 ], [ 0.5631499886512756, 0.7910289764404297, 0.41824400424957275 ], [ 0.7747439742088318, 0.43903398513793945, 0.5838840007781982 ], [ 0.22525599598884583, 0.5609660148620605, 0.41611599922180176 ], [ 0.45945000648498535, 0.048505999147892, 0.17677199840545654 ], [ 0.5405499935150146, 0.9514939785003662, 0.8232280015945435 ], [ 0.31688299775123596, 0.45540401339530945, 0.1758819967508316 ], [ 0.6831169724464417, 0.5445960164070129, 0.8241180181503296 ], [ 0.049653999507427216, 0.31651100516319275, 0.17664900422096252 ], [ 0.9503459930419922, 0.6834890246391296, 0.8233510255813599 ], [ 0.6601340174674988, 0.8012049794197083, 0.057064998894929886 ], [ 0.3398660123348236, 0.19879500567913055, 0.9429349899291992 ], [ 0.47889798879623413, 0.665473997592926, 0.05214700102806091 ], [ 0.5211020112037659, 0.334526002407074, 0.9478530287742615 ], [ 0.8005930185317993, 0.4821299910545349, 0.05593499913811684 ], [ 0.19940699636936188, 0.5178700089454651, 0.9440649747848511 ], [ 0.5544009804725647, 0.424466997385025, 0.29678699374198914 ], [ 0.4455989897251129, 0.5755329728126526, 0.7032129764556885 ], [ 0.7152280211448669, 0.5568670034408569, 0.30553901195526123 ], [ 0.28477200865745544, 0.44313299655914307, 0.6944609880447388 ], [ 0.42183399200439453, 0.7144659757614136, 0.30544400215148926 ], [ 0.5781660079956055, 0.28553399443626404, 0.6945559978485107 ], [ 0.8300790190696716, 0.6967779994010925, 0.4731850028038025 ], [ 0.16992099583148956, 0.30322200059890747, 0.5268149971961975 ], [ 0.005038999952375889, 0.8242430090904236, 0.4765320122241974 ], [ 0.9949610233306885, 0.1757570058107376, 0.523468017578125 ], [ 0.7000409960746765, 0.9796929955482483, 0.4948650002479553 ], [ 0.2999590039253235, 0.02030700072646141, 0.5051349997520447 ], [ 0.9372289776802063, 0.07503700256347656, 0.21616800129413605 ], [ 0.06277099996805191, 0.9249629974365234, 0.7838320136070251 ], [ 0.7827200293540955, 0.9411979913711548, 0.2044530063867569 ], [ 0.21728000044822693, 0.05880200117826462, 0.7955470085144043 ], [ 0.07298000156879425, 0.7863439917564392, 0.20200900733470917 ], [ 0.9270200133323669, 0.2136559933423996, 0.7979909777641296 ] ]
{ "a": 10.497848510742188, "b": 10.556042671203613, "c": 10.667335510253906, "alpha": 60.20841979980469, "beta": 60.552940368652344, "gamma": 60.18498611450195 }
2
Mn2O3
general_inorganic
false
null
0.128
0.076887
-1.937033
false
[ "oxide" ]
null
mp-1206211
[ "C", "Ca" ]
[ 20, 6, 6, 6, 6, 6, 6 ]
7
2
[ [ 0, 0, 0 ], [ 0.4537070095539093, 0.3831849992275238, 0.0014680000022053719 ], [ 0.5462930202484131, 0.6168149709701538, 0.9985319972038269 ], [ 0.5011190176010132, 0.37560999393463135, 0.4992629885673523 ], [ 0.4988810122013092, 0.6243900060653687, 0.5007370114326477 ], [ 0.49981001019477844, 0.8752779960632324, 0.5004410147666931 ], [ 0.500190019607544, 0.12472199648618698, 0.4995589852333069 ] ]
{ "a": 3.5794122219085693, "b": 5.073451042175293, "c": 7.767148971557617, "alpha": 86.39180755615234, "beta": 87.89300537109375, "gamma": 82.26825714111328 }
2
CaC6
hard_negative
false
null
0
0.756146
0.69699
true
[ "metallic" ]
null
mp-1209298
[ "P", "Rb" ]
[ 37, 37, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]
32
2
[ [ 0.22092057764530182, 0.21571023762226105, 0.0024247399996966124 ], [ 0.7790794372558594, 0.7842897772789001, 0.9975752830505371 ], [ 0.014945849776268005, 0.4311465322971344, 0.8123741745948792 ], [ 0.9850541353225708, 0.568853497505188, 0.18762582540512085 ], [ 0.2910778224468231, 0.878749668598175, 0.18767468631267548 ], [ 0.7089222073554993, 0.12125033885240555, 0.8123252987861633 ], [ 0.11660072207450867, 0.7636004090309143, 0.3069761097431183 ], [ 0.8833993077278137, 0.2363995909690857, 0.6930238604545593 ], [ 0.3374491035938263, 0.6901392340660095, 0.4328370988368988 ], [ 0.6625508666038513, 0.3098607361316681, 0.5671628713607788 ], [ 0.20168590545654297, 0.5898640751838684, 0.716399610042572 ], [ 0.798314094543457, 0.4101358950138092, 0.2836003601551056 ], [ 0.01259807962924242, 0.3401266932487488, 0.40758222341537476 ], [ 0.9874019026756287, 0.6598733067512512, 0.5924177765846252 ], [ 0.5223762392997742, 0.264290988445282, 0.8084850311279297 ], [ 0.4776237905025482, 0.735709011554718, 0.1915149837732315 ], [ 0.3107648491859436, 0.9846509099006653, 0.5919864177703857 ], [ 0.6892351508140564, 0.015349100343883038, 0.40801358222961426 ], [ 0.29957661032676697, 0.46310678124427795, 0.369782030582428 ], [ 0.7004233598709106, 0.5368932485580444, 0.630217969417572 ], [ 0.03333752974867821, 0.8930807113647461, 0.6528721451759338 ], [ 0.9666624665260315, 0.1069193109869957, 0.34712785482406616 ], [ 0.755574643611908, 0.5001816153526306, 0.8082320690155029 ], [ 0.24442534148693085, 0.499818354845047, 0.19176794588565826 ], [ 0.608045220375061, 0.7723784446716309, 0.36932748556137085 ], [ 0.39195477962493896, 0.22762152552604675, 0.6306725144386292 ], [ 0.5229142904281616, 0.911967933177948, 0.7155335545539856 ], [ 0.477085679769516, 0.08803203701972961, 0.2844664454460144 ], [ 0.12071239948272705, 0.8958012461662292, 0.8272225856781006 ], [ 0.879287600517273, 0.10419873148202896, 0.1727774292230606 ], [ 0.3375777006149292, 0.7928190231323242, 0.8323999643325806 ], [ 0.6624222993850708, 0.20718100666999817, 0.16760006546974182 ] ]
{ "a": 7.421456813812256, "b": 9.382270812988281, "c": 12.522537231445312, "alpha": 88.77310943603516, "beta": 101.71049499511719, "gamma": 110.43038940429688 }
2
RbP15
general_inorganic
false
null
1.5046
0
-0.101025
false
null
null
mp-1209336
[ "Sn", "Pr" ]
[ 59, 59, 59, 59, 59, 59, 59, 59, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]
20
2
[ [ 0.33043932914733887, 0.03484800085425377, 0.7451926469802856 ], [ 0.6695606708526611, 0.9651520252227783, 0.25480738282203674 ], [ 0.9591450691223145, 0.25368642807006836, 0.05441040173172951 ], [ 0.04085494950413704, 0.7463135719299316, 0.9455896019935608 ], [ 0.5562126636505127, 0.4306653141975403, 0.3356087803840637 ], [ 0.4437873065471649, 0.5693346858024597, 0.6643912196159363 ], [ 0.1284903883934021, 0.7505649328231812, 0.38061657547950745 ], [ 0.8715096116065979, 0.24943508207798004, 0.6193833947181702 ], [ 0.047844238579273224, 0.35151880979537964, 0.38145726919174194 ], [ 0.9521557688713074, 0.6484811902046204, 0.6185427308082581 ], [ 0.3519887328147888, 0.16482539474964142, 0.49703449010849 ], [ 0.6480112671852112, 0.8351746201515198, 0.50296550989151 ], [ 0.4380676746368408, 0.1653573215007782, 0.05296871066093445 ], [ 0.5619323253631592, 0.8346427083015442, 0.9470313191413879 ], [ 0.32842060923576355, 0.6002593040466309, 0.13631057739257812 ], [ 0.6715793609619141, 0.39974069595336914, 0.8636894226074219 ], [ 0.2246757596731186, 0.40685737133026123, 0.8649928569793701 ], [ 0.7753242254257202, 0.5931426286697388, 0.1350071132183075 ], [ 0.17910461127758026, 0.04211582988500595, 0.22355671226978302 ], [ 0.8208953738212585, 0.9578841924667358, 0.7764433026313782 ] ]
{ "a": 6.490281105041504, "b": 8.614018440246582, "c": 11.268573760986328, "alpha": 107.49459838867188, "beta": 96.83167266845703, "gamma": 100.07846069335938 }
2
Pr2Sn3
hard_negative
false
null
0
0
-0.700719
true
[ "metallic" ]
null
mp-1209915
[ "O", "Pr" ]
[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
31
2
[ [ 0.18301600217819214, 0.11154600232839584, 0.3666529953479767 ], [ 0.8169839978218079, 0.888454020023346, 0.6333469748497009 ], [ 0.3661069869995117, 0.14357799291610718, 0.7229700088500977 ], [ 0.6338930130004883, 0.8564220070838928, 0.27702999114990234 ], [ 0.2717140018939972, 0.6374189853668213, 0.522819995880127 ], [ 0.7282860279083252, 0.3625810146331787, 0.47718000411987305 ], [ 0.5290600061416626, 0.2670089900493622, 0.07799399644136429 ], [ 0.4709399938583374, 0.7329909801483154, 0.9220060110092163 ], [ 0, 0, 0 ], [ 0.1271120011806488, 0.5527200102806091, 0.17354799807071686 ], [ 0.8728880286216736, 0.44727998971939087, 0.8264520168304443 ], [ 0.54032301902771, 0.1786230057477951, 0.29721599817276 ], [ 0.4596770107746124, 0.8213769793510437, 0.70278400182724 ], [ 0.040745001286268234, 0.4262309968471527, 0.3713729977607727 ], [ 0.9592549800872803, 0.5737689733505249, 0.6286270022392273 ], [ 0.20210899412631989, 0.22454899549484253, 0.1577710062265396 ], [ 0.7978910207748413, 0.7754510045051575, 0.8422290086746216 ], [ 0.3714500069618225, 0.3250789940357208, 0.5385760068893433 ], [ 0.6285499930381775, 0.6749209761619568, 0.46142399311065674 ], [ 0.03535600006580353, 0.15870900452136993, 0.7980520129203796 ], [ 0.9646440148353577, 0.8412910103797913, 0.20194800198078156 ], [ 0.8503860235214233, 0.05532800033688545, 0.43580201268196106 ], [ 0.14961400628089905, 0.9446719884872437, 0.5641980171203613 ], [ 0.8746179938316345, 0.33803999423980713, 0.03846200183033943 ], [ 0.12538200616836548, 0.6619600057601929, 0.9615380167961121 ], [ 0.3329089879989624, 0.03355899825692177, 0.9315959811210632 ], [ 0.6670910120010376, 0.9664409756660461, 0.06840399652719498 ], [ 0.46844398975372314, 0.5938739776611328, 0.12721000611782074 ], [ 0.5315560102462769, 0.4061259925365448, 0.8727899789810181 ], [ 0.2933509945869446, 0.7979360222816467, 0.33287501335144043 ], [ 0.7066490054130554, 0.20206399261951447, 0.6671249866485596 ] ]
{ "a": 6.896696090698242, "b": 7.0355610847473145, "c": 10.757771492004395, "alpha": 94.57585906982422, "beta": 92.55314636230469, "gamma": 98.71803283691406 }
2
Pr11O20
hard_negative
false
null
0
0.048843
-3.259381
true
[ "oxide", "metallic" ]
null
mp-1210215
[ "Pd", "Pb" ]
[ 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]
32
2
[ [ 0.47672101855278015, 0.23723538219928741, 0.2918243408203125 ], [ 0.5232790112495422, 0.7627646327018738, 0.7081756591796875 ], [ 0.35778993368148804, 0.11833565682172775, 0.5421813130378723 ], [ 0.642210066318512, 0.8816643357276917, 0.4578186869621277 ], [ 0.5943912863731384, 0.35939350724220276, 0.04433535039424896 ], [ 0.4056087136268616, 0.6406064629554749, 0.9556646347045898 ], [ 0.06786730885505676, 0.8014481067657471, 0.2936782240867615 ], [ 0.9321326613426208, 0.19855189323425293, 0.7063217759132385 ], [ 0.052504610270261765, 0.3162165880203247, 0.45611369609832764 ], [ 0.9474954009056091, 0.6837834119796753, 0.5438863039016724 ], [ 0.7635420560836792, 0.0012222500517964363, 0.20859137177467346 ], [ 0.2364579737186432, 0.9987777471542358, 0.7914086580276489 ], [ 0.17252489924430847, 0.4355263411998749, 0.20549127459526062 ], [ 0.8274750709533691, 0.5644736289978027, 0.7945087552070618 ], [ 0.18343761563301086, 0.9212818145751953, 0.04119301959872246 ], [ 0.8165623545646667, 0.07871820777654648, 0.9588069915771484 ], [ 0.43514785170555115, 0.23324793577194214, 0.6797035336494446 ], [ 0.5648521780967712, 0.7667520642280579, 0.32029643654823303 ], [ 0.3154606223106384, 0.11196765303611755, 0.9267804026603699 ], [ 0.6845393776893616, 0.8880323767662048, 0.07321956753730774 ], [ 0.004005200229585171, 0.2987191379070282, 0.32254162430763245 ], [ 0.9959948062896729, 0.7012808322906494, 0.6774584054946899 ], [ 0.5558608770370483, 0.35347774624824524, 0.42983484268188477 ], [ 0.44413912296295166, 0.6465222835540771, 0.5701651573181152 ], [ 0.11605215817689896, 0.8206284046173096, 0.42763879895210266 ], [ 0.8839478492736816, 0.17937161028385162, 0.572361171245575 ], [ 0.23488113284111023, 0.9379298686981201, 0.17684544622898102 ], [ 0.7651188969612122, 0.06207013875246048, 0.8231545686721802 ], [ 0.674724817276001, 0.47084173560142517, 0.18055759370326996 ], [ 0.3252752125263214, 0.5291582345962524, 0.8194423913955688 ], [ 0.12047416716814041, 0.4170571267604828, 0.06966246664524078 ], [ 0.8795258402824402, 0.5829428434371948, 0.9303375482559204 ] ]
{ "a": 5.634721755981445, "b": 5.635962009429932, "c": 21.7030086517334, "alpha": 95.84983825683594, "beta": 95.81791687011719, "gamma": 99.5984878540039 }
2
PdPb
hard_negative
false
null
0
0
-0.267065
true
[ "metallic" ]
null
mp-1210365
[ "Br", "Re" ]
[ 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]
40
2
[ [ 0.3231230080127716, 0.24567799270153046, 0.11704300343990326 ], [ 0.6768770217895508, 0.7543219923973083, 0.8829569816589355 ], [ 0.5655230283737183, 0.13447199761867523, 0.28414100408554077 ], [ 0.4344770014286041, 0.8655279874801636, 0.7158589959144592 ], [ 0.3211120069026947, 0.042378999292850494, 0.16129499673843384 ], [ 0.6788880228996277, 0.9576209783554077, 0.8387050032615662 ], [ 0.332055002450943, 0.17669199407100677, 0.3173159956932068 ], [ 0.6679450273513794, 0.823307991027832, 0.6826840043067932 ], [ 0.3313870131969452, 0.3890570104122162, 0.2727600038051605 ], [ 0.6686130166053772, 0.6109430193901062, 0.7272400259971619 ], [ 0.5661119818687439, 0.3364050090312958, 0.23884199559688568 ], [ 0.4338879883289337, 0.6635950207710266, 0.7611579895019531 ], [ 0.21732600033283234, 0.14222200214862823, 0.44896700978279114 ], [ 0.7826740145683289, 0.857778012752533, 0.5510330200195312 ], [ 0.11032100021839142, 0.31627801060676575, 0.14729300141334534 ], [ 0.8896790146827698, 0.6837220191955566, 0.852707028388977 ], [ 0.5479779839515686, 0.29284998774528503, 0.06978199630975723 ], [ 0.452021986246109, 0.7071499824523926, 0.930217981338501 ], [ 0.5668830275535583, 0.48369300365448, 0.37872299551963806 ], [ 0.43311700224876404, 0.51630699634552, 0.6212769746780396 ], [ 0.5497480034828186, 0.007712000049650669, 0.1330839991569519 ], [ 0.4502519965171814, 0.9922879934310913, 0.8669160008430481 ], [ 0.6054120063781738, 0.10613399744033813, 0.6968650221824646 ], [ 0.39458799362182617, 0.8938660025596619, 0.3031350076198578 ], [ 0.1950490027666092, 0.546733021736145, 0.7522569894790649 ], [ 0.804951012134552, 0.45326700806617737, 0.24774299561977386 ], [ 0.217958003282547, 0.2359820008277893, 0.9499300122261047 ], [ 0.7820420265197754, 0.7640179991722107, 0.05006999894976616 ], [ 0.21324999630451202, 0.4868209958076477, 0.37409400939941406 ], [ 0.7867500185966492, 0.5131790041923523, 0.6259059906005859 ], [ 0.10909400135278702, 0.03312300145626068, 0.22664900124073029 ], [ 0.8909059762954712, 0.9668769836425781, 0.7733510136604309 ], [ 0.8044729828834534, 0.10704100131988525, 0.339464008808136 ], [ 0.19552700221538544, 0.8929589986801147, 0.660535991191864 ], [ 0.5445910096168518, 0.1916559934616089, 0.44572898745536804 ], [ 0.4554089903831482, 0.8083440065383911, 0.5542709827423096 ], [ 0.4069010019302368, 0.5492609739303589, 0.16103200614452362 ], [ 0.5930989980697632, 0.4507389962673187, 0.8389679789543152 ], [ 0.19634999334812164, 0.8842059969902039, 0.02849400043487549 ], [ 0.8036500215530396, 0.11579400300979614, 0.9715059995651245 ] ]
{ "a": 10.187002182006836, "b": 10.766186714172363, "c": 14.908294677734375, "alpha": 92.8359603881836, "beta": 102.15779876708984, "gamma": 101.5125732421875 }
2
Re3Br7
general_inorganic
false
null
0.3599
0
-0.650799
false
[ "halide" ]
null
mp-1211329
[ "Sn", "La" ]
[ 57, 57, 57, 57, 57, 57, 57, 57, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]
20
2
[ [ 0.3274422287940979, 0.035714779049158096, 0.7449097633361816 ], [ 0.6725577712059021, 0.9642851948738098, 0.25509023666381836 ], [ 0.9582065939903259, 0.25419342517852783, 0.05242858827114105 ], [ 0.041793420910835266, 0.7458065748214722, 0.9475713968276978 ], [ 0.5579066872596741, 0.43039074540138245, 0.33520734310150146 ], [ 0.4420933425426483, 0.5696092247962952, 0.6647926568984985 ], [ 0.13041847944259644, 0.7490944266319275, 0.37889230251312256 ], [ 0.8695815205574036, 0.2509056031703949, 0.6211076974868774 ], [ 0.05172327905893326, 0.3493642807006836, 0.38043731451034546 ], [ 0.948276698589325, 0.6506357192993164, 0.6195626854896545 ], [ 0.3491355776786804, 0.1649126410484314, 0.49478307366371155 ], [ 0.6508644223213196, 0.8350873589515686, 0.5052169561386108 ], [ 0.43707048892974854, 0.1621231883764267, 0.05299988016486168 ], [ 0.5629295110702515, 0.8378767967224121, 0.9470001459121704 ], [ 0.33182188868522644, 0.5991822481155396, 0.13421128690242767 ], [ 0.6681780815124512, 0.40081775188446045, 0.8657886981964111 ], [ 0.2250627726316452, 0.4070342481136322, 0.8656290173530579 ], [ 0.7749372124671936, 0.5929657220840454, 0.13437098264694214 ], [ 0.1817975640296936, 0.044449299573898315, 0.22377179563045502 ], [ 0.8182024359703064, 0.9555506706237793, 0.7762281894683838 ] ]
{ "a": 6.571308612823486, "b": 8.740389823913574, "c": 11.385305404663086, "alpha": 107.49333953857422, "beta": 96.83456420898438, "gamma": 99.91085815429688 }
2
La2Sn3
hard_negative
false
null
0
0
-0.84369
true
[ "metallic" ]
null
mp-1211471
[ "P", "K" ]
[ 19, 19, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]
32
2
[ [ 0.21837033331394196, 0.2143046259880066, 0.0024313300382345915 ], [ 0.7816296815872192, 0.7856953740119934, 0.997568666934967 ], [ 0.018596980720758438, 0.43219447135925293, 0.8204922080039978 ], [ 0.9814029932022095, 0.5678055286407471, 0.179507777094841 ], [ 0.2874794006347656, 0.877402126789093, 0.18031512200832367 ], [ 0.7125205993652344, 0.12259788811206818, 0.8196848630905151 ], [ 0.11277484148740768, 0.7632210850715637, 0.3022196888923645 ], [ 0.8872251510620117, 0.23677891492843628, 0.6977803111076355 ], [ 0.3367495536804199, 0.6894443035125732, 0.430653840303421 ], [ 0.6632504463195801, 0.31055569648742676, 0.5693461894989014 ], [ 0.20572826266288757, 0.5898264050483704, 0.7222986817359924 ], [ 0.7942717671394348, 0.41017356514930725, 0.2777012884616852 ], [ 0.011500449851155281, 0.3399018943309784, 0.40409955382347107 ], [ 0.9884995222091675, 0.660098135471344, 0.5959004759788513 ], [ 0.5220151543617249, 0.2670498192310333, 0.8162024021148682 ], [ 0.47798481583595276, 0.7329502105712891, 0.18379758298397064 ], [ 0.31093141436576843, 0.9852670431137085, 0.5947890877723694 ], [ 0.689068615436554, 0.01473294012248516, 0.405210942029953 ], [ 0.30042892694473267, 0.4611967206001282, 0.36550983786582947 ], [ 0.6995710730552673, 0.5388032793998718, 0.6344901323318481 ], [ 0.0325627401471138, 0.8945651650428772, 0.6578719019889832 ], [ 0.9674372673034668, 0.10543481260538101, 0.34212812781333923 ], [ 0.7554506063461304, 0.502889096736908, 0.8163537383079529 ], [ 0.24454939365386963, 0.49711093306541443, 0.18364624679088593 ], [ 0.6091748476028442, 0.7706031203269958, 0.3655262887477875 ], [ 0.39082518219947815, 0.22939684987068176, 0.6344736814498901 ], [ 0.5266560316085815, 0.9124786257743835, 0.7204412221908569 ], [ 0.47334396839141846, 0.08752135932445526, 0.27955877780914307 ], [ 0.12162578850984573, 0.898753821849823, 0.8361464142799377 ], [ 0.8783742189407349, 0.10124616324901581, 0.16385360062122345 ], [ 0.342385470867157, 0.7946221828460693, 0.840586245059967 ], [ 0.657614529132843, 0.20537781715393066, 0.15941375494003296 ] ]
{ "a": 7.325438022613525, "b": 9.310752868652344, "c": 12.24877643585205, "alpha": 89.31548309326172, "beta": 101.55164337158203, "gamma": 109.708251953125 }
2
KP15
general_inorganic
false
null
1.5227
0
-0.123339
false
null
null
mp-1213091
[ "Ni", "In" ]
[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]
40
2
[ [ 0.3243120014667511, 0.8368679881095886, 0.3955160081386566 ], [ 0.6756880283355713, 0.16313199698925018, 0.6044840216636658 ], [ 0.06454300135374069, 0.7122269868850708, 0.014837999828159809 ], [ 0.9354569911956787, 0.2877730131149292, 0.9851620197296143 ], [ 0.7896119952201843, 0.5285459756851196, 0.5544589757919312 ], [ 0.21038800477981567, 0.471453994512558, 0.44554099440574646 ], [ 0.47296300530433655, 0.3649359941482544, 0.12441100180149078 ], [ 0.5270370244979858, 0.6350640058517456, 0.8755890130996704 ], [ 0.6201040148735046, 0.9967740178108215, 0.8658599853515625 ], [ 0.37989598512649536, 0.0032259998843073845, 0.1341399997472763 ], [ 0.8474439978599548, 0.7327479720115662, 0.31356000900268555 ], [ 0.15255600214004517, 0.26725199818611145, 0.6864399909973145 ], [ 0.8596919775009155, 0.7640330195426941, 0.7839909791946411 ], [ 0.14030799269676208, 0.2359669953584671, 0.2160090059041977 ], [ 0.02785700000822544, 0.9834470152854919, 0.25033101439476013 ], [ 0.9721429944038391, 0.01655299961566925, 0.7496690154075623 ], [ 0.7575939893722534, 0.5420889854431152, 0.062442999333143234 ], [ 0.2424059957265854, 0.45791101455688477, 0.9375569820404053 ], [ 0.5241439938545227, 0.5856080055236816, 0.3636620044708252 ], [ 0.4758560061454773, 0.41439199447631836, 0.6363379955291748 ], [ 0.44388601183891296, 0.7109959721565247, 0.636152982711792 ], [ 0.5561140179634094, 0.28900399804115295, 0.3638469874858856 ], [ 0.8456370234489441, 0.42313098907470703, 0.2736169993877411 ], [ 0.1543630063533783, 0.576869010925293, 0.7263829708099365 ], [ 0.6689389944076538, 0.001715000020340085, 0.3373680114746094 ], [ 0.3310610055923462, 0.9982849955558777, 0.6626319885253906 ], [ 0.726032018661499, 0.8541809916496277, 0.08142399787902832 ], [ 0.27396801114082336, 0.14581899344921112, 0.9185760021209717 ], [ 0, 0, 0.5 ], [ 0.1489659994840622, 0.5443220138549805, 0.2005079984664917 ], [ 0.8510339856147766, 0.45567798614501953, 0.7994920015335083 ], [ 0.9286069869995117, 0.23388099670410156, 0.4164060056209564 ], [ 0.07139299809932709, 0.7661190032958984, 0.583594024181366 ], [ 0.45304301381111145, 0.6993690133094788, 0.15136800706386566 ], [ 0.5469570159912109, 0.30063098669052124, 0.8486319780349731 ], [ 0.7577580213546753, 0.14385800063610077, 0.16447100043296814 ], [ 0.2422419935464859, 0.856141984462738, 0.8355290293693542 ], [ 0, 0, 0 ], [ 0.7011539936065674, 0.8556479811668396, 0.5626109838485718 ], [ 0.2988460063934326, 0.1443520039319992, 0.43738898634910583 ] ]
{ "a": 6.547071933746338, "b": 8.941524505615234, "c": 9.811270713806152, "alpha": 106.83305358886719, "beta": 96.98001861572266, "gamma": 90.28801727294922 }
2
In3Ni7
hard_negative
false
null
0
0.022144
-0.10578
true
[ "metallic" ]
null
mp-1213668
[ "Si", "Cu" ]
[ 29, 29, 29, 29, 29, 29, 29, 14, 14, 14, 14, 14, 14 ]
13
2
[ [ 0.9999970197677612, 0.6666706800460815, 0.10607718676328659 ], [ 0.000002969999968627235, 0.33332931995391846, 0.8939228057861328 ], [ 0.892084538936615, 0.00000867000017024111, 0.333342969417572 ], [ 0.1079154834151268, 0.9999913573265076, 0.666657030582428 ], [ 0.6666908264160156, 0.8921288847923279, 0.9999980330467224 ], [ 0.3333091735839844, 0.10787113755941391, 0.000001939999947353499 ], [ 0, 0, 0 ], [ 0.996805727481842, 0.999997079372406, 0.3333704173564911 ], [ 0.003194289980456233, 0.0000029400000585155794, 0.6666295528411865 ], [ 0.6666753888130188, 0.9968389868736267, 0.000002750000021478627 ], [ 0.3333246111869812, 0.0031609900761395693, 0.9999972581863403 ], [ 0.0000319399987347424, 0.6666699051856995, 0.005027280189096928 ], [ 0.9999680519104004, 0.33333009481430054, 0.9949727058410645 ] ]
{ "a": 20.719146728515625, "b": 20.727401733398438, "c": 21.394132614135742, "alpha": 90.0121078491211, "beta": 90.04541778564453, "gamma": 118.69766998291016 }
2
Cu7Si6
hard_negative
false
null
0.0064
2.818135
2.7657
false
null
null
mp-1213798
[ "O", "Cr" ]
[ 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
34
2
[ [ 0.27109503746032715, 0.3597809672355652, 0.41382157802581787 ], [ 0.7289049625396729, 0.6402190327644348, 0.5861784219741821 ], [ 0.2688392996788025, 0.8599244356155396, 0.4126637578010559 ], [ 0.7311607003211975, 0.14007553458213806, 0.5873362421989441 ], [ 0.6730366349220276, 0.6929808855056763, 0.9386676549911499 ], [ 0.3269633650779724, 0.30701908469200134, 0.0613323412835598 ], [ 0.19129031896591187, 0.4306969940662384, 0.7589507699012756 ], [ 0.8087096810340881, 0.569303035736084, 0.24104921519756317 ], [ 0.18597613275051117, 0.923096776008606, 0.7602635622024536 ], [ 0.8140238523483276, 0.07690324634313583, 0.2397364228963852 ], [ 0.31941431760787964, 0.8075729608535767, 0.059766918420791626 ], [ 0.6805856823921204, 0.19242703914642334, 0.940233051776886 ], [ 0.15909695625305176, 0.7378983497619629, 0.22016343474388123 ], [ 0.8409030437469482, 0.2621016800403595, 0.7798365354537964 ], [ 0.8601634502410889, 0.920566201210022, 0.6490351557731628 ], [ 0.13983651995658875, 0.07943377643823624, 0.35096487402915955 ], [ 0.09135349839925766, 0.3008590638637543, 0.5757442116737366 ], [ 0.9086465239524841, 0.6991409659385681, 0.4242557883262634 ], [ 0.2845146656036377, 0.544555127620697, 0.9649921655654907 ], [ 0.7154853343963623, 0.45544490218162537, 0.03500783070921898 ], [ 0.02564341016113758, 0.833555281162262, 0.9312017560005188 ], [ 0.9743565917015076, 0.16644470393657684, 0.0687982589006424 ], [ 0.3761361539363861, 0.9832856059074402, 0.604291558265686 ], [ 0.6238638162612915, 0.016714399680495262, 0.39570844173431396 ], [ 0.4006294012069702, 0.6397745013237, 0.47336438298225403 ], [ 0.5993705987930298, 0.36022546887397766, 0.5266356468200684 ], [ 0.31909868121147156, 0.20681068301200867, 0.8527019023895264 ], [ 0.6809013485908508, 0.793189287185669, 0.14729808270931244 ], [ 0.06053515896201134, 0.642903208732605, 0.6987097263336182 ], [ 0.9394648671150208, 0.3570968210697174, 0.30129027366638184 ], [ 0.5143593549728394, 0.9079660773277283, 0.8882256150245667 ], [ 0.48564067482948303, 0.09203390777111053, 0.11177437752485275 ], [ 0.5543295741081238, 0.5763397216796875, 0.7516465783119202 ], [ 0.4456704258918762, 0.4236602783203125, 0.24835342168807983 ] ]
{ "a": 5.336467742919922, "b": 6.930950164794922, "c": 9.383420944213867, "alpha": 89.63676452636719, "beta": 98.90105438232422, "gamma": 107.72801208496094 }
2
Cr6O11
hard_negative
false
null
0
0.018088
-2.123403
true
[ "oxide", "metallic" ]
null
mp-1213936
[ "Sn", "Ce" ]
[ 58, 58, 58, 58, 58, 58, 58, 58, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]
20
2
[ [ 0.33472153544425964, 0.03524281829595566, 0.7444655299186707 ], [ 0.665278434753418, 0.9647572040557861, 0.25553447008132935 ], [ 0.9554925560951233, 0.25281527638435364, 0.052420418709516525 ], [ 0.04450744017958641, 0.747184693813324, 0.947579562664032 ], [ 0.5578750371932983, 0.4312599301338196, 0.3354230523109436 ], [ 0.44212499260902405, 0.5687400698661804, 0.6645769476890564 ], [ 0.12740546464920044, 0.755139172077179, 0.38364526629447937 ], [ 0.8725945353507996, 0.24486079812049866, 0.616354763507843 ], [ 0.04740346968173981, 0.35353752970695496, 0.376911997795105 ], [ 0.9525965452194214, 0.6464625000953674, 0.623088002204895 ], [ 0.35548824071884155, 0.16709108650684357, 0.49706020951271057 ], [ 0.6445117592811584, 0.8329089283943176, 0.502939760684967 ], [ 0.4355691969394684, 0.1693599969148636, 0.050193119794130325 ], [ 0.5644307732582092, 0.8306400179862976, 0.9498068690299988 ], [ 0.32366687059402466, 0.6004262566566467, 0.13857479393482208 ], [ 0.6763331294059753, 0.39957377314567566, 0.8614252209663391 ], [ 0.21948955953121185, 0.40460658073425293, 0.8633031845092773 ], [ 0.780510425567627, 0.5953934192657471, 0.13669683039188385 ], [ 0.17380297183990479, 0.0388370007276535, 0.2221013754606247 ], [ 0.8261970281600952, 0.9611629843711853, 0.7778986096382141 ] ]
{ "a": 6.427334785461426, "b": 8.463309288024902, "c": 11.1448392868042, "alpha": 107.03047943115234, "beta": 96.67202758789062, "gamma": 100.10539245605469 }
2
Ce2Sn3
hard_negative
false
null
0
0
-0.593769
true
[ "metallic" ]
null
mp-1214278
[ "C", "Cl" ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
50
2
[ [ 0.019183000549674034, 0.8787140250205994, 0.15957500040531158 ], [ 0.9808170199394226, 0.12128599733114243, 0.8404250144958496 ], [ 0.15005800127983093, 0.17959800362586975, 0.8816630244255066 ], [ 0.8499420285224915, 0.8204020261764526, 0.1183369979262352 ], [ 0.5243690013885498, 0.40042001008987427, 0.32042399048805237 ], [ 0.4756309986114502, 0.5995799899101257, 0.6795759797096252 ], [ 0.1289370059967041, 0.06161599978804588, 0.19734300673007965 ], [ 0.8710629940032959, 0.9383839964866638, 0.8026570081710815 ], [ 0.3873949944972992, 0.4292120039463043, 0.639510989189148 ], [ 0.6126049757003784, 0.5707880258560181, 0.36048901081085205 ], [ 0.24522100389003754, 0.11360300332307816, 0.2713789939880371 ], [ 0.7547789812088013, 0.8863970041275024, 0.7286210060119629 ], [ 0.0817359983921051, 0.18329299986362457, 0.15323799848556519 ], [ 0.9182639718055725, 0.8167070150375366, 0.8467620015144348 ], [ 0.22753499448299408, 0.05956700071692467, 0.8983489871025085 ], [ 0.7724649906158447, 0.9404330253601074, 0.10165099799633026 ], [ 0.4850200116634369, 0.36716699600219727, 0.5990390181541443 ], [ 0.5149800181388855, 0.6328330039978027, 0.4009610116481781 ], [ 0.33868101239204407, 0.2912049889564514, 0.3179500102996826 ], [ 0.6613190174102783, 0.7087950110435486, 0.6820499897003174 ], [ 0.2454330027103424, 0.35194799304008484, 0.36286601424217224 ], [ 0.75456702709198, 0.6480519771575928, 0.6371340155601501 ], [ 0.9134349822998047, 0.12955400347709656, 0.11247099936008453 ], [ 0.08656500279903412, 0.8704460263252258, 0.8875290155410767 ], [ 0.33184000849723816, 0.5219680070877075, 0.4036310017108917 ], [ 0.6681600213050842, 0.4780319929122925, 0.5963690280914307 ], [ 0.6426900029182434, 0.32690098881721497, 0.26973098516464233 ], [ 0.3573099970817566, 0.6730989813804626, 0.7302690148353577 ], [ 0.2422109991312027, 0.3973740041255951, 0.15265099704265594 ], [ 0.7577890157699585, 0.6026260256767273, 0.8473489880561829 ], [ 0.16384999454021454, 0.2960340082645416, 0.6410580277442932 ], [ 0.8361499905586243, 0.7039660215377808, 0.3589420020580292 ], [ 0.7102460265159607, 0.6049339771270752, 0.08522199839353561 ], [ 0.2897540032863617, 0.3950659930706024, 0.9147779941558838 ], [ 0.3803359866142273, 0.15780599415302277, 0.5524920225143433 ], [ 0.6196640133857727, 0.8421940207481384, 0.4475080072879791 ], [ 0.21470199525356293, 0.5951550006866455, 0.45562198758125305 ], [ 0.7852979898452759, 0.4048449993133545, 0.5443779826164246 ], [ 0.3902750015258789, 0.09730499982833862, 0.8274310231208801 ], [ 0.6097249984741211, 0.9026950001716614, 0.17256900668144226 ], [ 0.34631600975990295, 0.11007200181484222, 0.003585000056773424 ], [ 0.6536840200424194, 0.8899279832839966, 0.9964150190353394 ], [ 0.02225399948656559, 0.2176869958639145, 0.36687400937080383 ], [ 0.9777460098266602, 0.7823129892349243, 0.6331260204315186 ], [ 0.10342299938201904, 0.7361509799957275, 0.16487599909305573 ], [ 0.896577000617981, 0.2638489902019501, 0.8351240158081055 ], [ 0.8505100011825562, 0.27396899461746216, 0.07283200323581696 ], [ 0.14948999881744385, 0.7260310053825378, 0.9271680116653442 ], [ 0.7110289931297302, 0.03021099977195263, 0.6720929741859436 ], [ 0.2889710068702698, 0.9697890281677246, 0.327906996011734 ] ]
{ "a": 8.595903396606445, "b": 8.763426780700684, "c": 16.22606086730957, "alpha": 91.43787384033203, "beta": 97.34794616699219, "gamma": 118.51959228515625 }
2
C13Cl12
general_inorganic
false
null
2.466
0.137954
0.038528
false
[ "halide" ]
null
mp-1214295
[ "C", "Cl" ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
64
2
[ [ 0.14132508635520935, 0.28840094804763794, 0.11670921742916107 ], [ 0.858674943447113, 0.7115990519523621, 0.8832907676696777 ], [ 0.025706300511956215, 0.23479388654232025, 0.2490490972995758 ], [ 0.9742937088012695, 0.7652060985565186, 0.7509508728981018 ], [ 0.599624514579773, 0.38370922207832336, 0.4347105622291565 ], [ 0.40037545561790466, 0.6162907481193542, 0.5652894377708435 ], [ 0.2701107859611511, 0.2641950845718384, 0.08390872180461884 ], [ 0.7298892140388489, 0.7358049154281616, 0.91609126329422 ], [ 0.4952298402786255, 0.14885665476322174, 0.13403001427650452 ], [ 0.5047701597213745, 0.8511433601379395, 0.8659700155258179 ], [ 0.32551419734954834, 0.7444263100624084, 0.3550788164138794 ], [ 0.6744858026504517, 0.25557368993759155, 0.6449211835861206 ], [ 0.0793660506606102, 0.19505992531776428, 0.1712888926267624 ], [ 0.9206339716911316, 0.8049401044845581, 0.8287110924720764 ], [ 0.5933513641357422, 0.2891679108142853, 0.48820921778678894 ], [ 0.4066486060619354, 0.7108321189880371, 0.5117907524108887 ], [ 0.4483243525028229, 0.2825545072555542, 0.7209757566452026 ], [ 0.5516756772994995, 0.7174454927444458, 0.27902424335479736 ], [ 0.3409300148487091, 0.14733575284481049, 0.10603553801774979 ], [ 0.6590699553489685, 0.8526642322540283, 0.8939644694328308 ], [ 0.4563473165035248, 0.18979066610336304, 0.48010894656181335 ], [ 0.5436527132987976, 0.810209333896637, 0.5198910236358643 ], [ 0.41338443756103516, 0.16329197585582733, 0.5583900213241577 ], [ 0.5866155624389648, 0.8367080092430115, 0.4416099488735199 ], [ 0.22408239543437958, 0.0324430912733078, 0.10352645069360733 ], [ 0.7759175896644592, 0.967556893825531, 0.8964735269546509 ], [ 0.2836124002933502, 0.7174237966537476, 0.4334341883659363 ], [ 0.7163876295089722, 0.28257623314857483, 0.5665658116340637 ], [ 0.5078145265579224, 0.23379595577716827, 0.6471607685089111 ], [ 0.4921855032444, 0.7662040591239929, 0.3528392016887665 ], [ 0.09502311795949936, 0.05592536926269531, 0.13636116683483124 ], [ 0.9049769043922424, 0.9440746307373047, 0.8636388182640076 ], [ 0.3358664810657501, 0.35088789463043213, 0.006205410230904818 ], [ 0.6641334891319275, 0.6491121053695679, 0.9937945604324341 ], [ 0.36797016859054565, 0.09908927232027054, 0.37462472915649414 ], [ 0.6320298314094543, 0.9009107351303101, 0.6253752708435059 ], [ 0.19143837690353394, 0.7723395824432373, 0.2656717300415039 ], [ 0.8085616230964661, 0.2276604026556015, 0.7343282699584961 ], [ 0.9604721069335938, 0.12861478328704834, 0.31466907262802124 ], [ 0.03952791914343834, 0.8713852167129517, 0.6853309273719788 ], [ 0.24278774857521057, 0.8784402012825012, 0.04806661978363991 ], [ 0.757212221622467, 0.12155979126691818, 0.9519333839416504 ], [ 0.2465299367904663, 0.49447232484817505, 0.5498253703117371 ], [ 0.7534700632095337, 0.505527675151825, 0.45017462968826294 ], [ 0.025950299575924873, 0.39778581261634827, 0.29380035400390625 ], [ 0.9740496873855591, 0.6022142171859741, 0.7061996459960938 ], [ 0.05455683916807175, 0.06972295790910721, 0.8738576173782349 ], [ 0.9454431533813477, 0.9302770495414734, 0.12614239752292633 ], [ 0.2651596665382385, 0.03905313089489937, 0.55440354347229 ], [ 0.7348403334617615, 0.9609468579292297, 0.4455964267253876 ], [ 0.628116250038147, 0.28684353828430176, 0.1458144634962082 ], [ 0.3718837797641754, 0.7131564617156982, 0.8541855216026306 ], [ 0.09494884312152863, 0.7116079330444336, 0.4468551576137543 ], [ 0.9050511717796326, 0.2883920669555664, 0.5531448125839233 ], [ 0.5737645626068115, 0.01602146029472351, 0.16686886548995972 ], [ 0.4262354373931885, 0.9839785695075989, 0.8331311345100403 ], [ 0.038751270622015, 0.41070306301116943, 0.08444388210773468 ], [ 0.9612487554550171, 0.5892969369888306, 0.9155561327934265 ], [ 0.2552107572555542, 0.264453262090683, 0.7228237390518188 ], [ 0.7447892427444458, 0.7355467677116394, 0.27717626094818115 ], [ 0.4503943622112274, 0.39816153049468994, 0.3496865928173065 ], [ 0.549605667591095, 0.6018384695053101, 0.6503133773803711 ], [ 0.4416746497154236, 0.6238808035850525, 0.180709108710289 ], [ 0.5583253502845764, 0.3761191964149475, 0.8192908763885498 ] ]
{ "a": 8.859103202819824, "b": 10.281765937805176, "c": 15.00147819519043, "alpha": 98.97974395751953, "beta": 100.12364196777344, "gamma": 96.38241577148438 }
2
CCl
general_inorganic
false
null
2.1141
0.192072
0.088503
false
[ "halide" ]
null
mp-1214506
[ "C", "Br" ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]
88
2
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{ "a": 12.68963623046875, "b": 12.980170249938965, "c": 13.092001914978027, "alpha": 119.51063537597656, "beta": 117.37540435791016, "gamma": 84.86408233642578 }
2
C15Br7
general_inorganic
false
null
1.2164
0.209926
0.124029
false
[ "halide" ]
null
mp-1214764
[ "B", "O" ]
[ 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
16
2
[ [ 0.2503420114517212, 0.0774729996919632, 0.2703700065612793 ], [ 0.7496579885482788, 0.922527015209198, 0.7296299934387207 ], [ 0.7581220269203186, 0.2518649995326996, 0.04628099873661995 ], [ 0.24187800288200378, 0.748134970664978, 0.9537190198898315 ], [ 0.7483729720115662, 0.7926939725875854, 0.6173520088195801 ], [ 0.25162699818611145, 0.20730599761009216, 0.3826479911804199 ], [ 0.7567160129547119, 0.3849779963493347, 0.15568900108337402 ], [ 0.24328400194644928, 0.6150220036506653, 0.844310998916626 ], [ 0.7549489736557007, 0.1588049978017807, 0.5953739881515503 ], [ 0.24505099654197693, 0.8411949872970581, 0.4046260118484497 ], [ 0.7528839707374573, 0.016553999856114388, 0.17527100443840027 ], [ 0.24711599946022034, 0.9834460020065308, 0.8247290253639221 ], [ 0.2464430034160614, 0.18370099365711212, 0.03605100139975548 ], [ 0.753557026386261, 0.8162990212440491, 0.9639490246772766 ], [ 0.7545539736747742, 0.36158499121665955, 0.8100500106811523 ], [ 0.24544599652290344, 0.6384149789810181, 0.18995000422000885 ] ]
{ "a": 6.18941593170166, "b": 6.578670024871826, "c": 6.62060022354126, "alpha": 61.626953125, "beta": 77.16363525390625, "gamma": 74.82988739013672 }
2
BO3
hard_negative
false
null
0
0.834056
-0.91473
true
[ "oxide", "metallic" ]
null
mp-1214889
[ "Al", "Re" ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 75, 75, 75, 75 ]
15
2
[ [ 0.7488269209861755, 0.204396054148674, 0.36127641797065735 ], [ 0.25117307901382446, 0.7956039309501648, 0.6387235522270203 ], [ 0.5349282622337341, 0.8548411726951599, 0.12820978462696075 ], [ 0.46507176756858826, 0.14515884220600128, 0.8717902302742004 ], [ 0, 0, 0 ], [ 0.9042702913284302, 0.506341278553009, 0.12739287316799164 ], [ 0.09572968631982803, 0.49365872144699097, 0.8726071119308472 ], [ 0.6836706399917603, 0.44345003366470337, 0.6218742728233337 ], [ 0.31632936000823975, 0.5565499663352966, 0.37812569737434387 ], [ 0.21411527693271637, 0.049952439963817596, 0.33749884366989136 ], [ 0.7858847379684448, 0.9500475525856018, 0.6625011563301086 ], [ 0.8422768115997314, 0.7232643961906433, 0.3954601585865021 ], [ 0.15772318840026855, 0.2767356038093567, 0.6045398712158203 ], [ 0.3888785243034363, 0.33736374974250793, 0.13120168447494507 ], [ 0.6111214756965637, 0.6626362204551697, 0.8687983155250549 ] ]
{ "a": 5.118585586547852, "b": 5.167862415313721, "c": 8.934727668762207, "alpha": 90.88261413574219, "beta": 104.81571960449219, "gamma": 98.99433135986328 }
2
Al11Re4
hard_negative
false
null
0
0
-0.400965
true
[ "metallic" ]
null
mp-1214894
[ "Al", "Cr" ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 24, 24, 24, 24 ]
15
2
[ [ 0.8162969946861267, 0.2782459855079651, 0.6302539706230164 ], [ 0.1837030053138733, 0.7217540144920349, 0.36974599957466125 ], [ 0.15006199479103088, 0.4656830132007599, 0.874875009059906 ], [ 0.8499379754066467, 0.5343170166015625, 0.1251250058412552 ], [ 0, 0, 0 ], [ 0.5162960290908813, 0.10247199982404709, 0.8762400150299072 ], [ 0.48370400071144104, 0.8975279927253723, 0.12375999987125397 ], [ 0.5752469897270203, 0.3293130099773407, 0.372312992811203 ], [ 0.42475301027297974, 0.6706870198249817, 0.6276869773864746 ], [ 0.9432539939880371, 0.8286389708518982, 0.6830970048904419 ], [ 0.056745998561382294, 0.17136099934577942, 0.3169029951095581 ], [ 0.30091598629951477, 0.14501400291919708, 0.5999529957771301 ], [ 0.6990839838981628, 0.8549860119819641, 0.4000470042228699 ], [ 0.6577230095863342, 0.6026020050048828, 0.8663520216941833 ], [ 0.34227699041366577, 0.3973979949951172, 0.13364799320697784 ] ]
{ "a": 5.099079132080078, "b": 5.1486430168151855, "c": 8.959489822387695, "alpha": 105.71990966796875, "beta": 89.59568786621094, "gamma": 100.57772064208984 }
2
Al11Cr4
hard_negative
false
null
0
0.002588
-0.150564
true
[ "metallic" ]
null
mp-1214901
[ "Al", "Fe" ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 26, 26, 26, 26, 26, 26, 26 ]
19
2
[ [ 0.2979939579963684, 0.45904067158699036, 0.7028822898864746 ], [ 0.7020060420036316, 0.5409592986106873, 0.297117680311203 ], [ 0.252396821975708, 0.1140241026878357, 0.29036852717399597 ], [ 0.747603178024292, 0.8859758973121643, 0.7096315026283264 ], [ 0.8762558102607727, 0.1821420043706894, 0.4732690155506134 ], [ 0.12374421209096909, 0.8178579807281494, 0.5267309546470642 ], [ 0.6544427275657654, 0.6638646125793457, 0.9674129486083984 ], [ 0.345557302236557, 0.3361353874206543, 0.03258704021573067 ], [ 0.8165732622146606, 0.2964823544025421, 0.8281076550483704 ], [ 0.18342675268650055, 0.7035176753997803, 0.17189235985279083 ], [ 0.34464219212532043, 0.019513610750436783, 0.8325515389442444 ], [ 0.6553577780723572, 0.9804863929748535, 0.16744846105575562 ], [ 0.9031819105148315, 0.34067001938819885, 0.12400665879249573 ], [ 0.09681805968284607, 0.6593299508094788, 0.8759933114051819 ], [ 0.4461592435836792, 0.17187480628490448, 0.5764966607093811 ], [ 0.5538407564163208, 0.8281251788139343, 0.4235033392906189 ], [ 0, 0, 0 ], [ 0.2279297411441803, 0.4732211232185364, 0.40993064641952515 ], [ 0.7720702886581421, 0.5267788767814636, 0.5900693535804749 ] ]
{ "a": 4.8451247215271, "b": 6.3409423828125, "c": 8.757529258728027, "alpha": 88.49334716796875, "beta": 106.05767822265625, "gamma": 97.15510559082031 }
2
Al12Fe7
hard_negative
false
null
0
0.013503
-0.313315
true
[ "metallic" ]
null
mp-1215015
[ "B", "Os" ]
[ 5, 5, 76, 76 ]
4
2
[ [ 0.4429774880409241, 0.8315525054931641, 0.3274714946746826 ], [ 0.5570225119590759, 0.16844749450683594, 0.6725285053253174 ], [ 0.27513399720191956, 0.6004415154457092, 0.7785170078277588 ], [ 0.7248659729957581, 0.39955851435661316, 0.2214830070734024 ] ]
{ "a": 2.8153295516967773, "b": 3.9033257961273193, "c": 4.557294845581055, "alpha": 105.02750396728516, "beta": 90.18497467041016, "gamma": 111.12648010253906 }
2
BOs
hard_negative
false
null
0
0.406089
0.133734
true
[ "metallic" ]
null
mp-1215280
[ "Se", "Zr" ]
[ 40, 40, 40, 40, 34, 34, 34, 34 ]
8
2
[ [ 0.9191769957542419, 0.9194809794425964, 0.7408900260925293 ], [ 0.08082299679517746, 0.08051899820566177, 0.2591100037097931 ], [ 0.33556801080703735, 0.24001100659370422, 0.5786769986152649 ], [ 0.6644319891929626, 0.7599890232086182, 0.4213230013847351 ], [ 0.232806995511055, 0.6616169810295105, 0.3759160041809082 ], [ 0.39068999886512756, 0.8749930262565613, 0.8397160172462463 ], [ 0.60930997133255, 0.1250070035457611, 0.16028399765491486 ], [ 0.7671930193901062, 0.3383829891681671, 0.6240839958190918 ] ]
{ "a": 5.189639091491699, "b": 6.644667625427246, "c": 6.693426132202148, "alpha": 81.7780990600586, "beta": 67.63842010498047, "gamma": 68.45075225830078 }
2
ZrSe
hard_negative
false
null
0
0.338496
-1.218656
true
[ "metallic" ]
null
mp-1216498
[ "S", "V" ]
[ 23, 23, 23, 23, 23, 23, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
16
2
[ [ 0.8188802003860474, 0.12221945077180862, 0.11772139370441437 ], [ 0.18111979961395264, 0.877780556678772, 0.8822786211967468 ], [ 0, 0.5, 0.5 ], [ 0.6142575144767761, 0.7156643271446228, 0.7304977178573608 ], [ 0.38574251532554626, 0.2843356728553772, 0.2695022523403168 ], [ 0.5, 0, 0.5 ], [ 0.8810526132583618, 0.8489425182342529, 0.6015955805778503 ], [ 0.6890783309936523, 0.45000314712524414, 0.19957496225833893 ], [ 0.48579493165016174, 0.049367859959602356, 0.8104323744773865 ], [ 0.2959343194961548, 0.641324520111084, 0.40823420882225037 ], [ 0.0821542888879776, 0.24704335629940033, 0.9952825307846069 ], [ 0.7040656805038452, 0.358675479888916, 0.591765820980072 ], [ 0.5142050981521606, 0.9506321549415588, 0.18956761062145233 ], [ 0.31092166900634766, 0.5499968528747559, 0.8004250526428223 ], [ 0.11894737184047699, 0.15105748176574707, 0.39840441942214966 ], [ 0.9178457260131836, 0.7529566287994385, 0.004717439878731966 ] ]
{ "a": 5.78974723815918, "b": 6.658951282501221, "c": 8.138386726379395, "alpha": 108.21270751953125, "beta": 110.15620422363281, "gamma": 91.00723266601562 }
2
V3S5
hard_negative
false
null
0
0.051154
-1.218118
true
[ "sulfide", "metallic" ]
null
mp-1217210
[ "Ti", "Te" ]
[ 22, 22, 22, 22, 22, 22, 22, 22, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]
20
2
[ [ 0.5095025897026062, 0.2428264319896698, 0.018487369641661644 ], [ 0.8541180491447449, 0.5571880340576172, 0.353512704372406 ], [ 0.16196221113204956, 0.8840761780738831, 0.6659568548202515 ], [ 0.4904974400997162, 0.7571735978126526, 0.9815126061439514 ], [ 0.8380377888679504, 0.11592379957437515, 0.33404314517974854 ], [ 0.14588196575641632, 0.4428119361400604, 0.646487295627594 ], [ 0.8283603191375732, 0.8346692323684692, 0.8362082839012146 ], [ 0.17163969576358795, 0.16533079743385315, 0.163791686296463 ], [ 0.4387420117855072, 0.9776535034179688, 0.2019473761320114 ], [ 0.7569937109947205, 0.3122124671936035, 0.5391152501106262 ], [ 0.09435311704874039, 0.6419135928153992, 0.8710075616836548 ], [ 0.5612579584121704, 0.022346479818224907, 0.7980526089668274 ], [ 0.9056468605995178, 0.35808640718460083, 0.12899242341518402 ], [ 0.24300630390644073, 0.6877875328063965, 0.4608847498893738 ], [ 0.5449414253234863, 0.5085577368736267, 0.8010200262069702 ], [ 0.8810470104217529, 0.8427354097366333, 0.14746132493019104 ], [ 0.22266122698783875, 0.18234466016292572, 0.47587546706199646 ], [ 0.45505857467651367, 0.4914422631263733, 0.19897997379302979 ], [ 0.7773388028144836, 0.8176553249359131, 0.5241245031356812 ], [ 0.11895296722650528, 0.1572646051645279, 0.8525387048721313 ] ]
{ "a": 7.51625919342041, "b": 7.938794136047363, "c": 9.306154251098633, "alpha": 90.57254028320312, "beta": 104.08190155029297, "gamma": 106.12688446044922 }
2
Ti2Te3
hard_negative
false
null
0
0.003904
-0.848243
true
[ "metallic" ]
null
mp-1217447
[ "Rh", "Te" ]
[ 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]
34
2
[ [ 0.7957786917686462, 0.5395877361297607, 0.9981146454811096 ], [ 0.5935022234916687, 0.34291937947273254, 0.8029459714889526 ], [ 0.3883274495601654, 0.14323528110980988, 0.6008059978485107 ], [ 0.18701128661632538, 0.9439553022384644, 0.39788469672203064 ], [ 0.9845682978630066, 0.7526143789291382, 0.19577249884605408 ], [ 0.015431700274348259, 0.24738560616970062, 0.8042274713516235 ], [ 0.8129886984825134, 0.05604470893740654, 0.602115273475647 ], [ 0.6116725206375122, 0.8567647337913513, 0.39919400215148926 ], [ 0.4064977765083313, 0.6570805907249451, 0.19705401360988617 ], [ 0.20422130823135376, 0.46041226387023926, 0.0018853700021281838 ], [ 0.49538514018058777, 0.22753730416297913, 0.2051093429327011 ], [ 0.2958110272884369, 0.03057200089097023, 0.004455870017409325 ], [ 0.09886693209409714, 0.8297297358512878, 0.8028401136398315 ], [ 0.8964722156524658, 0.6300337910652161, 0.6060763001441956 ], [ 0.6929750442504883, 0.4312564432621002, 0.40823638439178467 ], [ 0.30702492594718933, 0.5687435269355774, 0.5917636156082153 ], [ 0.10352776199579239, 0.36996620893478394, 0.39392369985580444 ], [ 0.9011330604553223, 0.17027026414871216, 0.19715988636016846 ], [ 0.7041889429092407, 0.9694280028343201, 0.9955441355705261 ], [ 0.5046148300170898, 0.7724626660346985, 0.7948906421661377 ], [ 0.7532971501350403, 0.2583867609500885, 0.9924551248550415 ], [ 0.5443114638328552, 0.06842458248138428, 0.7947069406509399 ], [ 0.3436107337474823, 0.8661808371543884, 0.585422158241272 ], [ 0.13716696202754974, 0.6690551042556763, 0.38693535327911377 ], [ 0.9389697909355164, 0.473315954208374, 0.1971735656261444 ], [ 0.06103023141622543, 0.526684045791626, 0.802826464176178 ], [ 0.8628330230712891, 0.3309449255466461, 0.6130646467208862 ], [ 0.6563892364501953, 0.13381914794445038, 0.414577841758728 ], [ 0.45568856596946716, 0.9315754175186157, 0.20529304444789886 ], [ 0.24670283496379852, 0.7416132688522339, 0.007544859778136015 ], [ 0.6008541584014893, 0.5995174646377563, 0.6033687591552734 ], [ 0.19770801067352295, 0.2001366764307022, 0.19676807522773743 ], [ 0.802291989326477, 0.799863338470459, 0.8032318949699402 ], [ 0.39914584159851074, 0.40048250555992126, 0.39663124084472656 ] ]
{ "a": 8.836506843566895, "b": 8.971945762634277, "c": 10.51015853881836, "alpha": 76.19038391113281, "beta": 74.37477111816406, "gamma": 79.0277328491211 }
2
Te10Rh7
hard_negative
false
null
0
0
-0.438261
true
[ "metallic" ]
null
mp-1218680
[ "Sr", "Bi" ]
[ 38, 38, 38, 38, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83 ]
15
2
[ [ 0.6513789892196655, 0.058343999087810516, 0.7927240133285522 ], [ 0.22659699618816376, 0.9097399711608887, 0.671114981174469 ], [ 0.773402988910675, 0.09025999903678894, 0.3288849890232086 ], [ 0.3486210107803345, 0.9416559934616089, 0.20727600157260895 ], [ 0.42799699306488037, 0.32956600189208984, 0.49895501136779785 ], [ 0.27795401215553284, 0.32811999320983887, 0.8647170066833496 ], [ 0.22093099355697632, 0.26457101106643677, 0.2917959988117218 ], [ 0.9909240007400513, 0.3245069980621338, 0.6458470225334167 ], [ 0.6138560175895691, 0.3351669907569885, 0.988070011138916 ], [ 0.7790690064430237, 0.7354289889335632, 0.7082039713859558 ], [ 0.7220460176467896, 0.6718800067901611, 0.1352829933166504 ], [ 0.5720030069351196, 0.6704339981079102, 0.5010449886322021 ], [ 0.3861440122127533, 0.6648330092430115, 0.01193000003695488 ], [ 0.009076000191271305, 0.6754930019378662, 0.35415300726890564 ], [ 0, 0, 0 ] ]
{ "a": 7.469211101531982, "b": 9.288797378540039, "c": 9.68394660949707, "alpha": 62.09421157836914, "beta": 71.70368957519531, "gamma": 79.79548645019531 }
2
Sr4Bi11
hard_negative
false
null
0
0.248824
-0.292741
true
[ "metallic" ]
null
mp-1220184
[ "O", "Ni" ]
[ 28, 28, 28, 28, 28, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
16
2
[ [ 0.4041709899902344, 0.2950595021247864, 0.3023805022239685 ], [ 0.20223599672317505, 0.9059925079345703, 0.9016525149345398 ], [ 0, 0.5, 0.5 ], [ 0.797764003276825, 0.09400749951601028, 0.0983474999666214 ], [ 0.5958290100097656, 0.7049404978752136, 0.6976194977760315 ], [ 0.7556210160255432, 0.39510050415992737, 0.22680750489234924 ], [ 0.5563589930534363, 0.010381500236690044, 0.8297654986381531 ], [ 0.35644999146461487, 0.5962395071983337, 0.42339450120925903 ], [ 0.15815499424934387, 0.20535850524902344, 0.034031499177217484 ], [ 0.9554229974746704, 0.8291854858398438, 0.6374675035476685 ], [ 0.8418449759483337, 0.7946414947509766, 0.9659684896469116 ], [ 0.6435499787330627, 0.40376049280166626, 0.576605498790741 ], [ 0.4436410069465637, 0.9896184802055359, 0.17023450136184692 ], [ 0.24437899887561798, 0.604899525642395, 0.7731925249099731 ], [ 0.04457699880003929, 0.17081449925899506, 0.36253249645233154 ], [ 0, 0, 0.5 ] ]
{ "a": 4.9092206954956055, "b": 6.3368072509765625, "c": 6.874284744262695, "alpha": 110.66372680664062, "beta": 96.77722930908203, "gamma": 105.29460906982422 }
2
Ni5O11
hard_negative
false
null
0
0.205983
-0.557272
true
[ "oxide", "metallic" ]
null
mp-12205
[ "O", "Ti" ]
[ 22, 22, 22, 22, 22, 22, 22, 22, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
22
2
[ [ 0.6880255937576294, 0.596987247467041, 0.2611130475997925 ], [ 0.3119743764400482, 0.40301278233528137, 0.7388869524002075 ], [ 0.6818356513977051, 0.5956085920333862, 0.7637287378311157 ], [ 0.31816431879997253, 0.4043913781642914, 0.2362712323665619 ], [ 0.21431031823158264, 0.8703916668891907, 0.41675978899002075 ], [ 0.7856897115707397, 0.1296083629131317, 0.5832402110099792 ], [ 0.21592289209365845, 0.877160370349884, 0.9097216725349426 ], [ 0.7840771079063416, 0.12283960729837418, 0.09027831256389618 ], [ 0.11006676405668259, 0.9676207304000854, 0.1546144187450409 ], [ 0.8899332284927368, 0.032379258424043655, 0.8453855514526367 ], [ 0.5878382921218872, 0.8834109902381897, 0.2645113468170166 ], [ 0.4121617376804352, 0.11658897995948792, 0.7354886531829834 ], [ 0.8536922931671143, 0.8340089321136475, 0.5864365100860596 ], [ 0.14630772173404694, 0.16599108278751373, 0.41356346011161804 ], [ 0.32793498039245605, 0.7221373915672302, 0.7010679841041565 ], [ 0.672065019607544, 0.27786263823509216, 0.2989320158958435 ], [ 0.5264791250228882, 0.6720609664916992, 0.01915678009390831 ], [ 0.4735208749771118, 0.3279390335083008, 0.9808432459831238 ], [ 0.03588321432471275, 0.6044174432754517, 0.12879407405853271 ], [ 0.9641168117523193, 0.39558255672454834, 0.8712059259414673 ], [ 0.2954453229904175, 0.5535696148872375, 0.4332449436187744 ], [ 0.7045546770095825, 0.44643038511276245, 0.5667550563812256 ] ]
{ "a": 5.594066619873047, "b": 6.912851810455322, "c": 7.122686862945557, "alpha": 64.26957702636719, "beta": 71.19192504882812, "gamma": 75.30580139160156 }
2
Ti4O7
hard_negative
false
null
0
0.007957
-3.408519
true
[ "oxide", "metallic" ]
null
mp-1221177
[ "Cl", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
94
2
[ [ 0.6941739916801453, 0.39759600162506104, 0.5446869730949402 ], [ 0.30582600831985474, 0.602403998374939, 0.4553129971027374 ], [ 0.9247530102729797, 0.23802399635314941, 0.9274560213088989 ], [ 0.07524699717760086, 0.7619760036468506, 0.07254400104284286 ], [ 0.47249001264572144, 0.5505620241165161, 0.6848210096359253 ], [ 0.5275099873542786, 0.4494380056858063, 0.3151789903640747 ], [ 0.08978399634361267, 0.2597920000553131, 0.5700129866600037 ], [ 0.9102159738540649, 0.7402080297470093, 0.42998701333999634 ], [ 0.13765600323677063, 0.7277079820632935, 0.6542220115661621 ], [ 0.8623440265655518, 0.27229198813438416, 0.3457779884338379 ], [ 0.6300100088119507, 0.4580239951610565, 0.9289289712905884 ], [ 0.3699899911880493, 0.5419759750366211, 0.07107099890708923 ], [ 0.2364960014820099, 0.6430569887161255, 0.8816689848899841 ], [ 0.7635040283203125, 0.3569430112838745, 0.11833100020885468 ], [ 0.8578739762306213, 0.3607720136642456, 0.73580002784729 ], [ 0.14212599396705627, 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0.4435800015926361, 0.17621000111103058, 0.7463759779930115 ], [ 0.5564200282096863, 0.8237900137901306, 0.25362399220466614 ] ]
{ "a": 11.153564453125, "b": 11.165329933166504, "c": 21.15818977355957, "alpha": 98.267578125, "beta": 101.51233673095703, "gamma": 110.3307876586914 }
2
Nd14Cl33
hard_negative
false
null
0
0.170269
-2.250579
true
[ "halide", "metallic" ]
null
mp-1221178
[ "Na", "Sn" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]
76
2
[ [ 0.8170391321182251, 0.5950657725334167, 0.4875805377960205 ], [ 0.1829608827829361, 0.40493419766426086, 0.5124194622039795 ], [ 0.8163498640060425, 0.9036308526992798, 0.012418420054018497 ], [ 0.1836501508951187, 0.09636913239955902, 0.9875815510749817 ], [ 0.4440653622150421, 0.22556106746196747, 0.4185192584991455 ], [ 0.5559346675872803, 0.7744389176368713, 0.5814807415008545 ], [ 0.44638171792030334, 0.28134432435035706, 0.07760622352361679 ], [ 0.553618311882019, 0.7186556458473206, 0.922393798828125 ], [ 0.7325530648231506, 0.5876067876815796, 0.27874311804771423 ], [ 0.26744693517684937, 0.412393182516098, 0.7212569117546082 ], [ 0.7321529984474182, 0.9107629656791687, 0.21990743279457092 ], [ 0.2678470313549042, 0.08923705667257309, 0.7800925970077515 ], [ 0.82319176197052, 0.23612354695796967, 0.47778159379959106 ], [ 0.17680825293064117, 0.7638764381408691, 0.5222184062004089 ], [ 0.8148512244224548, 0.2719464898109436, 0.02076346054673195 ], [ 0.18514880537986755, 0.7280535101890564, 0.9792365431785583 ], [ 0.4446897506713867, 0.6023995876312256, 0.42454957962036133 ], [ 0.5553102493286133, 0.3976004123687744, 0.5754504203796387 ], [ 0.44541868567466736, 0.8972076773643494, 0.07511261105537415 ], [ 0.554581344127655, 0.10279232263565063, 0.9248874187469482 ], [ 0.7320470213890076, 0.2513332962989807, 0.249115452170372 ], [ 0.26795297861099243, 0.7486667037010193, 0.7508845329284668 ], [ 0.8601319789886475, 0.9148141145706177, 0.49001964926719666 ], [ 0.13986803591251373, 0.08518589287996292, 0.509980320930481 ], [ 0.8506225347518921, 0.5789378881454468, 0.008107270114123821 ], [ 0.1493774652481079, 0.4210621118545532, 0.9918927550315857 ], [ 0.40107232332229614, 0.9322115182876587, 0.44746115803718567 ], [ 0.5989276766777039, 0.06778845936059952, 0.5525388717651367 ], [ 0.6492207646369934, 0.4119378626346588, 0.4003227651119232 ], [ 0.3507792353630066, 0.5880621075630188, 0.5996772050857544 ], [ 0.6493760943412781, 0.08853151649236679, 0.10080826282501221 ], [ 0.3506239354610443, 0.911468505859375, 0.8991917371749878 ], [ 0.28312796354293823, 0.5837128162384033, 0.26010462641716003 ], [ 0.7168720364570618, 0.4162871837615967, 0.7398953437805176 ], [ 0.28495538234710693, 0.915910542011261, 0.24010798335075378 ], [ 0.7150446176528931, 0.0840894803404808, 0.7598919868469238 ], [ 0.9425589442253113, 0.4161436855792999, 0.34180760383605957 ], [ 0.05744105949997902, 0.5838562846183777, 0.6581923961639404 ], [ 0.9425134062767029, 0.084136463701725, 0.1579437255859375 ], [ 0.05748660862445831, 0.9158635139465332, 0.8420562744140625 ], [ 0.10078717023134232, 0.5881680846214294, 0.39060065150260925 ], [ 0.8992128372192383, 0.41183191537857056, 0.6093993782997131 ], [ 0.09970930963754654, 0.9113202691078186, 0.11090023815631866 ], [ 0.9002906680107117, 0.0886797234416008, 0.8890997767448425 ], [ 0.11534073948860168, 0.917167067527771, 0.37326839566230774 ], [ 0.8846592307090759, 0.0828329473733902, 0.6267316341400146 ], [ 0.12399610131978989, 0.5826287865638733, 0.12425733357667923 ], [ 0.8760039210319519, 0.4173712432384491, 0.8757426738739014 ], [ 0.9417964816093445, 0.07823160290718079, 0.3250429332256317 ], [ 0.05820348858833313, 0.9217684268951416, 0.6749570965766907 ], [ 0.9380430579185486, 0.42477092146873474, 0.17376230657100677 ], [ 0.06195693090558052, 0.5752291083335876, 0.826237678527832 ], [ 0.47509968280792236, 0.749340295791626, 0.2501199543476105 ], [ 0.5249003171920776, 0.25065967440605164, 0.7498800754547119 ], [ 0.6500775814056396, 0.041055478155612946, 0.37293487787246704 ], [ 0.34992241859436035, 0.9589444994926453, 0.627065122127533 ], [ 0.6411442756652832, 0.46222496032714844, 0.12314920127391815 ], [ 0.3588557541370392, 0.5377750396728516, 0.8768507838249207 ], [ 0.2893922030925751, 0.2512827515602112, 0.25023382902145386 ], [ 0.7106078267097473, 0.7487172484397888, 0.7497661709785461 ], [ 0.478836327791214, 0.4204067289829254, 0.2616676688194275 ], [ 0.5211637020111084, 0.5795932412147522, 0.7383323311805725 ], [ 0.4765077233314514, 0.08110599964857101, 0.2385111004114151 ], [ 0.5234922766685486, 0.9188939929008484, 0.7614889144897461 ], [ 0.9375191330909729, 0.7565587759017944, 0.33390700817108154 ], [ 0.0624808594584465, 0.24344120919704437, 0.6660929918289185 ], [ 0.9372023940086365, 0.7413071990013123, 0.16488045454025269 ], [ 0.06279759109020233, 0.25869277119636536, 0.8351195454597473 ], [ 0.6440203785896301, 0.7990760207176208, 0.38407546281814575 ], [ 0.3559796214103699, 0.20092397928237915, 0.6159245371818542 ], [ 0.6397271156311035, 0.6967602372169495, 0.1154554933309555 ], [ 0.36027291417121887, 0.30323976278305054, 0.8845444917678833 ], [ 0.10740642994642258, 0.24423636496067047, 0.37994879484176636 ], [ 0.8925935626029968, 0.7557636499404907, 0.6200512051582336 ], [ 0.10534258186817169, 0.2566434144973755, 0.12140002101659775 ], [ 0.8946574330329895, 0.7433565855026245, 0.878600001335144 ] ]
{ "a": 9.522039413452148, "b": 13.76693344116211, "c": 17.988956451416016, "alpha": 89.69900512695312, "beta": 89.93865966796875, "gamma": 89.90941619873047 }
2
Na7Sn12
general_inorganic
false
null
0.3226
0.017746
-0.187319
false
null
null
mp-1221693
[ "F", "Mn" ]
[ 25, 25, 25, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
15
2
[ [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.6384345889091492, 0.8022315502166748, 0.5683597326278687 ], [ 0.19503794610500336, 0.3080591857433319, 0.06955289840698242 ], [ 0.13149437308311462, 0.9894800782203674, 0.7676509618759155 ], [ 0.6435330510139465, 0.508850634098053, 0.24551084637641907 ], [ 0.1977568119764328, 0.6404191255569458, 0.42640718817710876 ], [ 0.6948256492614746, 0.19417433440685272, 0.9283583760261536 ], [ 0.8685056567192078, 0.010519919916987419, 0.23234900832176208 ], [ 0.3564669191837311, 0.49114933609962463, 0.7544891834259033 ], [ 0.802243173122406, 0.3595809042453766, 0.5735927820205688 ], [ 0.3051743507385254, 0.8058256506919861, 0.07164163142442703 ], [ 0.36156538128852844, 0.1977684199810028, 0.43164023756980896 ], [ 0.8049620389938354, 0.6919407844543457, 0.9304471015930176 ] ]
{ "a": 4.86429500579834, "b": 5.240001678466797, "c": 6.956079959869385, "alpha": 96.30137634277344, "beta": 90.89535522460938, "gamma": 89.92731475830078 }
2
MnF4
hard_negative
false
null
0
0.120961
-2.275572
true
[ "halide", "metallic" ]
null
mp-1221945
[ "O", "Mn" ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
25
2
[ [ 0.9247270226478577, 0.4840010106563568, 0.8180260062217712 ], [ 0.42413899302482605, 0.4851999878883362, 0.8181160092353821 ], [ 0.5758609771728516, 0.5148000121116638, 0.1818840056657791 ], [ 0.07527299970388412, 0.5159990191459656, 0.18197399377822876 ], [ 0.33326300978660583, 0.18227200210094452, 0.4845390021800995 ], [ 0.8329619765281677, 0.1824910044670105, 0.4853000044822693 ], [ 0.1670379936695099, 0.8175089955329895, 0.5146999955177307 ], [ 0.6667370200157166, 0.8177279829978943, 0.5154610276222229 ], [ 0.5208389759063721, 0.2936770021915436, 0.6217120289802551 ], [ 0.021717000752687454, 0.2936129868030548, 0.6216350197792053 ], [ 0.9782829880714417, 0.7063869833946228, 0.37836501002311707 ], [ 0.47916099429130554, 0.7063230276107788, 0.37828800082206726 ], [ 0.8321509957313538, 0.37838900089263916, 0.2935590147972107 ], [ 0.33254098892211914, 0.377716988325119, 0.2922860085964203 ], [ 0.6674590110778809, 0.6222829818725586, 0.7077140212059021 ], [ 0.16784900426864624, 0.6216109991073608, 0.7064409852027893 ], [ 0.8267989754676819, 0.6404160261154175, 0.04722899943590164 ], [ 0.32771000266075134, 0.6409090161323547, 0.04777099937200546 ], [ 0.672290027141571, 0.35909101366996765, 0.9522290229797363 ], [ 0.17320099472999573, 0.3595840036869049, 0.952771008014679 ], [ 0.8526560068130493, 0.9517689943313599, 0.640084981918335 ], [ 0.35183200240135193, 0.9525430202484131, 0.6400820016860962 ], [ 0.6481680274009705, 0.047456998378038406, 0.3599179983139038 ], [ 0.14734399318695068, 0.04823099821805954, 0.35991498827934265 ], [ 0.5, 0, 0 ] ]
{ "a": 5.834667205810547, "b": 7.1634063720703125, "c": 7.178955554962158, "alpha": 87.60025787353516, "beta": 78.36668395996094, "gamma": 78.1268081665039 }
2
Mn8O17
general_inorganic
false
null
0.3141
0.108687
-1.64094
false
[ "oxide" ]
null
mp-1222372
[ "O", "Mn" ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
63
2
[ [ 0.8180059194564819, 0.20288872718811035, 0.6874648928642273 ], [ 0.8176615834236145, 0.40317076444625854, 0.887566864490509 ], [ 0.8180235624313354, 0.6033571362495422, 0.08764650672674179 ], [ 0.8180373907089233, 0.8036612868309021, 0.2873346507549286 ], [ 0.818389356136322, 0.003361609997227788, 0.4877050220966339 ], [ 0.18196260929107666, 0.1963386982679367, 0.7126653790473938 ], [ 0.18197646737098694, 0.39664286375045776, 0.912353515625 ], [ 0.1823384165763855, 0.5968292355537415, 0.11243311315774918 ], [ 0.18199409544467926, 0.7971112728118896, 0.3125350773334503 ], [ 0.18161067366600037, 0.9966384172439575, 0.5122950077056885 ], [ 0.48405319452285767, 0.3536027669906616, 0.5364372730255127 ], [ 0.4847160875797272, 0.5545082688331604, 0.7366610765457153 ], [ 0.48443368077278137, 0.7545282244682312, 0.9366025924682617 ], [ 0.4853430986404419, 0.9542734026908875, 0.13699205219745636 ], [ 0.48480111360549927, 0.15386341512203217, 0.3366810381412506 ], [ 0.5146569013595581, 0.04572661966085434, 0.8630079627037048 ], [ 0.5155662894248962, 0.2454717755317688, 0.06339742243289948 ], [ 0.5152838826179504, 0.445491760969162, 0.26333892345428467 ], [ 0.5159468054771423, 0.6463972330093384, 0.4635626971721649 ], [ 0.5151988863945007, 0.8461365699768066, 0.663318932056427 ], [ 0.04719559848308563, 0.7938435077667236, 0.4343724846839905 ], [ 0.04779011011123657, 0.5943306088447571, 0.23493531346321106 ], [ 0.04762556031346321, 0.3946406841278076, 0.034358441829681396 ], [ 0.04751668870449066, 0.19490842521190643, 0.8339539170265198 ], [ 0.04718923941254616, 0.9936627149581909, 0.63404381275177 ], [ 0.9528043866157532, 0.20615647733211517, 0.5656275153160095 ], [ 0.9528107643127441, 0.006337299942970276, 0.3659561574459076 ], [ 0.9524832963943481, 0.8050915598869324, 0.16604608297348022 ], [ 0.9523744583129883, 0.6053593158721924, 0.9656415581703186 ], [ 0.9522098898887634, 0.4056694209575653, 0.7650647163391113 ], [ 0.6389970183372498, 0.9158967137336731, 0.8672455549240112 ], [ 0.6397432684898376, 0.7162936329841614, 0.6679179072380066 ], [ 0.6400440335273743, 0.5157934427261353, 0.46789491176605225 ], [ 0.6399966478347778, 0.31516873836517334, 0.2681350111961365 ], [ 0.6400104761123657, 0.1156604215502739, 0.06759476661682129 ], [ 0.36100301146507263, 0.0841032937169075, 0.13275443017482758 ], [ 0.3599894940853119, 0.8843395709991455, 0.9324052333831787 ], [ 0.3600033223628998, 0.6848312616348267, 0.7318649888038635 ], [ 0.35995596647262573, 0.48420652747154236, 0.5321050882339478 ], [ 0.36025673151016235, 0.2837063670158386, 0.3320820927619934 ], [ 0.6201290488243103, 0.03894279897212982, 0.33379414677619934 ], [ 0.6201689839363098, 0.8389187455177307, 0.13283881545066833 ], [ 0.6198229193687439, 0.6390578150749207, 0.9330242872238159 ], [ 0.6207394003868103, 0.43984025716781616, 0.7325034737586975 ], [ 0.6197913289070129, 0.2380145788192749, 0.5326908230781555 ], [ 0.3798709809780121, 0.961057186126709, 0.6662058234214783 ], [ 0.3802086412906647, 0.7619854211807251, 0.4673091769218445 ], [ 0.3792605996131897, 0.5601597428321838, 0.2674965262413025 ], [ 0.3801770806312561, 0.36094218492507935, 0.06697569787502289 ], [ 0.3798310160636902, 0.1610812395811081, 0.867161214351654 ], [ 0.2929958999156952, 0.998711109161377, 0.37722280621528625 ], [ 0.2933094799518585, 0.7987151741981506, 0.17779307067394257 ], [ 0.29405540227890015, 0.5984404683113098, 0.9780325889587402 ], [ 0.2927563488483429, 0.39844855666160583, 0.7768905162811279 ], [ 0.29383739829063416, 0.19777226448059082, 0.578028678894043 ], [ 0.7070040702819824, 0.001288880011998117, 0.6227771639823914 ], [ 0.7061625719070435, 0.8022277355194092, 0.42197129130363464 ], [ 0.7072436213493347, 0.6015514731407166, 0.22310949862003326 ], [ 0.7059445977210999, 0.4015595018863678, 0.021967420354485512 ], [ 0.7066904902458191, 0.20128481090068817, 0.8222069144248962 ], [ 0.000052120001782896, 0.9028916954994202, 0.9029641151428223 ], [ 0.9999479055404663, 0.09710831195116043, 0.09703586250543594 ], [ 0, 0.5, 0.5 ] ]
{ "a": 8.297378540039062, "b": 10.1538667678833, "c": 10.158267974853516, "alpha": 87.8221435546875, "beta": 112.36795806884766, "gamma": 112.33351135253906 }
2
Mn20O43
hard_negative
false
null
0.052
0.14815
-1.587591
false
[ "oxide" ]
null
mp-1224501
[ "H", "N" ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]
32
2
[ [ 0.6376500129699707, 0.14521299302577972, 0.08905100077390671 ], [ 0.3623499870300293, 0.8547869920730591, 0.9109489917755127 ], [ 0.1073170006275177, 0.024210000410676003, 0.38741499185562134 ], [ 0.8926830291748047, 0.9757900238037109, 0.6125850081443787 ], [ 0.4225200116634369, 0.054951999336481094, 0.2857480049133301 ], [ 0.5774800181388855, 0.9450479745864868, 0.7142519950866699 ], [ 0.9674090147018433, 0.27486199140548706, 0.1948859989643097 ], [ 0.03259100019931793, 0.7251380085945129, 0.8051139712333679 ], [ 0.17591899633407593, 0.6233969926834106, 0.3145489990711212 ], [ 0.8240810036659241, 0.37660300731658936, 0.6854509711265564 ], [ 0.9468520283699036, 0.6441550254821777, 0.10059899836778641 ], [ 0.05314800143241882, 0.35584500432014465, 0.8994010090827942 ], [ 0.4278219938278198, 0.5356640219688416, 0.39522799849510193 ], [ 0.5721780061721802, 0.46433600783348083, 0.6047719717025757 ], [ 0.6906030178070068, 0.780040979385376, 0.192098006606102 ], [ 0.30939701199531555, 0.21995900571346283, 0.8079019784927368 ], [ 0.46363499760627747, 0.5624300241470337, 0.04928699880838394 ], [ 0.5363649725914001, 0.4375700056552887, 0.9507129788398743 ], [ 0.7205780148506165, 0.6477299928665161, 0.13933099806308746 ], [ 0.27942198514938354, 0.3522700071334839, 0.8606690168380737 ], [ 0.19315600395202637, 0.5238170027732849, 0.36013200879096985 ], [ 0.8068439960479736, 0.4761829972267151, 0.6398680210113525 ], [ 0.06734299659729004, 0.05724199861288071, 0.05320199951529503 ], [ 0.93265700340271, 0.9427580237388611, 0.9467980265617371 ], [ 0.8509290218353271, 0.14457499980926514, 0.1360519975423813 ], [ 0.14907099306583405, 0.8554250001907349, 0.8639479875564575 ], [ 0.5589169859886169, 0.006874999962747097, 0.4465090036392212 ], [ 0.44108301401138306, 0.9931250214576721, 0.5534909963607788 ], [ 0.32407599687576294, 0.9878820180892944, 0.3515869975090027 ], [ 0.6759240031242371, 0.012117999605834484, 0.6484130024909973 ], [ 0.9597480297088623, 0.5270839929580688, 0.4530700147151947 ], [ 0.04025200009346008, 0.47291600704193115, 0.5469300150871277 ] ]
{ "a": 4.1728010177612305, "b": 7.535331726074219, "c": 10.654756546020508, "alpha": 107.3315658569336, "beta": 89.21256256103516, "gamma": 100.87147521972656 }
2
HN
general_inorganic
false
null
2.8669
0.192386
-0.040226
false
null
null
mp-1226086
[ "Cr", "Te" ]
[ 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]
22
2
[ [ 0.6551210284233093, 0.42642301321029663, 0.17354600131511688 ], [ 0.9810230135917664, 0.7522770166397095, 0.49945300817489624 ], [ 0.3198640048503876, 0.09477200359106064, 0.8246070146560669 ], [ 0.6801360249519348, 0.9052280187606812, 0.1753930002450943 ], [ 0.018976999446749687, 0.24772299826145172, 0.5005469918251038 ], [ 0.34487900137901306, 0.5735769867897034, 0.8264539837837219 ], [ 0, 0.5, 0 ], [ 0.33675599098205566, 0.8317340016365051, 0.33779001235961914 ], [ 0.6632440090179443, 0.16826599836349487, 0.6622099876403809 ], [ 0, 0, 0 ], [ 0.7235820293426514, 0.6780310273170471, 0.9705619812011719 ], [ 0.06397499889135361, 0.013918000273406506, 0.3067609965801239 ], [ 0.39458900690078735, 0.34887900948524475, 0.6342319846153259 ], [ 0.6054109930992126, 0.6511210203170776, 0.3657679855823517 ], [ 0.9360250234603882, 0.9860820174217224, 0.6932389736175537 ], [ 0.276418000459671, 0.32196900248527527, 0.029438000172376633 ], [ 0.7141820192337036, 0.18066400289535522, 0.9751660227775574 ], [ 0.04345199838280678, 0.5158339738845825, 0.3091680109500885 ], [ 0.37478598952293396, 0.8487600088119507, 0.6414939761161804 ], [ 0.6252139806747437, 0.1512400060892105, 0.3585059940814972 ], [ 0.9565479755401611, 0.4841659963130951, 0.6908320188522339 ], [ 0.2858180105686188, 0.8193359971046448, 0.024833999574184418 ] ]
{ "a": 7.519052028656006, "b": 8.149614334106445, "c": 9.421740531921387, "alpha": 89.61199188232422, "beta": 101.76162719726562, "gamma": 106.34850311279297 }
2
Cr5Te6
hard_negative
false
null
0
0.057442
-0.365741
true
[ "metallic" ]
null
mp-1226371
[ "Cr", "Se" ]
[ 24, 24, 24, 24, 24, 24, 24, 24, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]
20
2
[ [ 0.830710232257843, 0.3299635946750641, 0.3301661014556885 ], [ 0.1692897379398346, 0.6700364351272583, 0.6698338985443115 ], [ 0.5269274711608887, 0.7497058510780334, 0.49815040826797485 ], [ 0.8434716463088989, 0.0748344287276268, 0.8425112962722778 ], [ 0.18012891709804535, 0.40707674622535706, 0.15301035344600677 ], [ 0.47307249903678894, 0.25029411911964417, 0.5018495917320251 ], [ 0.8198710680007935, 0.5929232239723206, 0.846989631652832 ], [ 0.15652835369110107, 0.925165593624115, 0.15748870372772217 ], [ 0.5425993204116821, 0.022763820365071297, 0.3115251660346985 ], [ 0.8759334087371826, 0.34876054525375366, 0.6404595375061035 ], [ 0.20855729281902313, 0.6821722984313965, 0.9716981053352356 ], [ 0.4574006497859955, 0.9772361516952515, 0.6884748339653015 ], [ 0.7914426922798157, 0.31782767176628113, 0.028301909565925598 ], [ 0.12406656891107559, 0.6512394547462463, 0.3595404624938965 ], [ 0.44307976961135864, 0.4940812885761261, 0.6935053467750549 ], [ 0.7813927531242371, 0.8236767053604126, 0.0313517302274704 ], [ 0.1040283590555191, 0.15235641598701477, 0.35281094908714294 ], [ 0.5569202303886414, 0.5059186816215515, 0.3064946234226227 ], [ 0.8959716558456421, 0.8476435542106628, 0.6471890807151794 ], [ 0.21860723197460175, 0.1763233095407486, 0.9686482548713684 ] ]
{ "a": 6.961953639984131, "b": 7.3063178062438965, "c": 8.605380058288574, "alpha": 89.54792022705078, "beta": 104.11492156982422, "gamma": 106.18321990966797 }
2
Cr2Se3
hard_negative
false
null
0
0.007459
-0.802969
true
[ "metallic" ]
null
mp-1226578
[ "S", "Cr" ]
[ 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
49
2
[ [ 0.2851549983024597, 0.2657189965248108, 0.3154830038547516 ], [ 0.7021420001983643, 0.06558100134134293, 0.6974440217018127 ], [ 0.8799560070037842, 0.47082099318504333, 0.9125139713287354 ], [ 0.475147008895874, 0.6722720265388489, 0.5098410248756409 ], [ 0.08076799660921097, 0.8750929832458496, 0.11411300301551819 ], [ 0.29785799980163574, 0.9344189763069153, 0.30255600810050964 ], [ 0.7148450016975403, 0.7342810034751892, 0.6845170259475708 ], [ 0.9192320108413696, 0.1249070018529892, 0.8858870267868042 ], [ 0.524852991104126, 0.3277280032634735, 0.4901590049266815 ], [ 0.12004400044679642, 0.5291789770126343, 0.08748599886894226 ], [ 0.5, 0, 0.5 ], [ 0.9007499814033508, 0.8037989735603333, 0.8999950289726257 ], [ 0.09925000369548798, 0.19620099663734436, 0.10000500082969666 ], [ 0.6968420147895813, 0.40018001198768616, 0.6981580257415771 ], [ 0.3031579852104187, 0.5998200178146362, 0.30184200406074524 ], [ 0.19930900633335114, 0.4004549980163574, 0.6988049745559692 ], [ 0.4033989906311035, 0.7987419962882996, 0.9001910090446472 ], [ 0.5966010093688965, 0.20125800371170044, 0.09980899840593338 ], [ 0.8006910085678101, 0.5995450019836426, 0.3011949956417084 ], [ 0.42041298747062683, 0.49244698882102966, 0.6616510152816772 ], [ 0.6251400113105774, 0.8919270038604736, 0.85896897315979 ], [ 0.8223000168800354, 0.2909359931945801, 0.062313999980688095 ], [ 0.026909999549388885, 0.6898469924926758, 0.2603929936885834 ], [ 0.22604399919509888, 0.09141000360250473, 0.46257999539375305 ], [ 0.4222150146961212, 0.1722780019044876, 0.6573240160942078 ], [ 0.6175259947776794, 0.5717949867248535, 0.858519971370697 ], [ 0.8184159994125366, 0.9728220105171204, 0.05888700112700462 ], [ 0.02409300021827221, 0.370618999004364, 0.25536900758743286 ], [ 0.21804000437259674, 0.7691559791564941, 0.4562329947948456 ], [ 0.2297240048646927, 0.43180400133132935, 0.4667139947414398 ], [ 0.4260439872741699, 0.833154022693634, 0.6655870079994202 ], [ 0.6318680047988892, 0.2297929972410202, 0.8646489977836609 ], [ 0.8321369886398315, 0.6320329904556274, 0.06723000109195709 ], [ 0.0281009990721941, 0.035385001450777054, 0.2642180025577545 ], [ 0.9730899930000305, 0.3101530075073242, 0.7396069765090942 ], [ 0.1776999980211258, 0.7090640068054199, 0.937686026096344 ], [ 0.3748599886894226, 0.10807300359010696, 0.14103099703788757 ], [ 0.5795869827270508, 0.507552981376648, 0.33834901452064514 ], [ 0.7739560008049011, 0.9085900187492371, 0.5374199748039246 ], [ 0.975907027721405, 0.629381000995636, 0.7446309924125671 ], [ 0.18158400058746338, 0.027178000658750534, 0.9411129951477051 ], [ 0.38247400522232056, 0.4282050132751465, 0.1414799988269806 ], [ 0.5777850151062012, 0.8277220129966736, 0.3426760137081146 ], [ 0.7819600105285645, 0.23084400594234467, 0.543766975402832 ], [ 0.16786299645900726, 0.36796700954437256, 0.9327700138092041 ], [ 0.36813199520111084, 0.7702069878578186, 0.1353510022163391 ], [ 0.5739560127258301, 0.16684600710868835, 0.33441299200057983 ], [ 0.7702760100364685, 0.5681959986686707, 0.5332859754562378 ], [ 0.9718989729881287, 0.964614987373352, 0.7357820272445679 ] ]
{ "a": 8.881196975708008, "b": 10.385169982910156, "c": 10.699416160583496, "alpha": 80.7342529296875, "beta": 72.50428771972656, "gamma": 67.0832748413086 }
2
Cr19S30
hard_negative
false
null
0
0.007985
-0.973727
true
[ "sulfide", "metallic" ]
null
mp-1237317
[ "Mg", "Mn" ]
[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 25, 25, 25, 25, 25, 25 ]
16
2
[ [ 0.25383350253105164, 0.14353099465370178, 0.04155249893665314 ], [ 0.2527165114879608, 0.1417810022830963, 0.5486565232276917 ], [ 0.23398849368095398, 0.3788610100746155, 0.30250048637390137 ], [ 0.2422724962234497, 0.8805909752845764, 0.2862805128097534 ], [ 0.7325584888458252, 0.5875920057296753, 0.19382449984550476 ], [ 0.2674415111541748, 0.4124079942703247, 0.8061754703521729 ], [ 0.7660114765167236, 0.6211389899253845, 0.6974995136260986 ], [ 0.7461665272712708, 0.8564689755439758, 0.9584475159645081 ], [ 0.7577275037765503, 0.1194090023636818, 0.7137194871902466 ], [ 0.7472835183143616, 0.8582190275192261, 0.45134350657463074 ], [ 0.7427474856376648, 0.11381399631500244, 0.2042044997215271 ], [ 0.2401214987039566, 0.6385260224342346, 0.041501499712467194 ], [ 0.254085510969162, 0.6397389769554138, 0.5502625107765198 ], [ 0.2572525143623352, 0.8861860036849976, 0.7957955002784729 ], [ 0.7598785161972046, 0.36147400736808777, 0.958498477935791 ], [ 0.7459145188331604, 0.3602609932422638, 0.4497374892234802 ] ]
{ "a": 4.824532985687256, "b": 5.930814743041992, "c": 10.561405181884766, "alpha": 92.13623046875, "beta": 91.01116180419922, "gamma": 91.87057495117188 }
2
Mg5Mn3
hard_negative
false
null
0
0.281986
0.281986
true
[ "metallic" ]
null
mp-1238909
[ "Ti", "Pt" ]
[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]
55
2
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{ "a": 10.868186950683594, "b": 11.790144920349121, "c": 11.985748291015625, "alpha": 90.74861907958984, "beta": 90.14350891113281, "gamma": 94.77182006835938 }
2
Ti13Pt42
hard_negative
false
null
0
0.885869
0.000797
true
[ "metallic" ]
null
mp-1245393
[ "O", "Mg" ]
[ 12, 12, 12, 12, 8, 8, 8, 8, 8, 8, 8, 8 ]
12
2
[ [ 0.926701009273529, 0.8242670297622681, 0.2487725019454956 ], [ 0.07329899817705154, 0.17573300004005432, 0.7512274980545044 ], [ 0.6508070230484009, 0.3663400113582611, 0.13446049392223358 ], [ 0.3491930067539215, 0.6336600184440613, 0.8655394911766052 ], [ 0.6589099764823914, 0.1779100000858307, 0.5488834977149963 ], [ 0.8734040260314941, 0.46393999457359314, 0.8262525200843811 ], [ 0.12659600377082825, 0.5360599756240845, 0.1737474948167801 ], [ 0.34108999371528625, 0.8220900297164917, 0.45111650228500366 ], [ 0.29633501172065735, 0.8702239990234375, 0.6451135277748108 ], [ 0.485852986574173, 0.8876720070838928, 0.041129499673843384 ], [ 0.703665018081665, 0.1297760009765625, 0.3548865020275116 ], [ 0.5141469836235046, 0.11232800036668777, 0.9588704705238342 ] ]
{ "a": 3.2441654205322266, "b": 6.3540215492248535, "c": 6.835995197296143, "alpha": 88.40187072753906, "beta": 77.55098724365234, "gamma": 88.9050064086914 }
2
MgO2
general_inorganic
false
null
0.4126
0.372542
-1.652998
false
[ "oxide" ]
null
mp-1249969
[ "O", "Si" ]
[ 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
60
2
[ [ 0.27181270718574524, 0.4993331730365753, 0.7348077297210693 ], [ 0.7281872630119324, 0.5006668567657471, 0.2651922404766083 ], [ 0.589544415473938, 0.4456446170806885, 0.732629656791687 ], [ 0.4104556143283844, 0.5543553829193115, 0.267370343208313 ], [ 0.811649739742279, 0.6074337959289551, 0.6753761172294617 ], [ 0.18835024535655975, 0.3925662040710449, 0.3246239125728607 ], [ 0.07666061818599701, 0.5724790096282959, 0.8774644732475281 ], [ 0.9233393669128418, 0.4275209903717041, 0.12253550440073013 ], [ 0.7627893090248108, 0.8515022993087769, 0.5886827707290649 ], [ 0.2372107058763504, 0.14849767088890076, 0.41131722927093506 ], [ 0.8512884378433228, 0.1258678287267685, 0.6760579347610474 ], [ 0.14871157705783844, 0.8741321563720703, 0.32394206523895264 ], [ 0.8713375329971313, 0.34516650438308716, 0.8764962553977966 ], [ 0.12866246700286865, 0.6548334956169128, 0.12350375205278397 ], [ 0.2022283375263214, 0.6175768375396729, 0.5295704007148743 ], [ 0.7977716326713562, 0.38242316246032715, 0.47042959928512573 ], [ 0.5711342096328735, 0.22871792316436768, 0.5320401787757874 ], [ 0.42886582016944885, 0.7712820768356323, 0.46795979142189026 ], [ 0.07011692225933075, 0.2500849962234497, 0.5804848670959473 ], [ 0.9298830628395081, 0.7499150037765503, 0.41951513290405273 ], [ 0.4513564705848694, 0.489767849445343, 0.7756090760231018 ], [ 0.5486435294151306, 0.510232150554657, 0.2243909388780594 ], [ 0.22837933897972107, 0.5829949975013733, 0.6462598443031311 ], [ 0.7716206312179565, 0.4170050024986267, 0.3537401556968689 ], [ 0.17725099623203278, 0.36331573128700256, 0.6781201958656311 ], [ 0.8227490186691284, 0.636684238910675, 0.3218798041343689 ], [ 0.23033703863620758, 0.5635499358177185, 0.8448968529701233 ], [ 0.7696629762649536, 0.4364500641822815, 0.1551031619310379 ], [ 0.5246537923812866, 0.32854217290878296, 0.6249220371246338 ], [ 0.4753462076187134, 0.671457827091217, 0.3750779330730438 ], [ 0.7167063355445862, 0.4045640230178833, 0.8291055560112 ], [ 0.2832936942577362, 0.5954359769821167, 0.17089445888996124 ], [ 0.660252034664154, 0.5585974454879761, 0.6971899271011353 ], [ 0.33974799513816833, 0.4414025545120239, 0.30281007289886475 ], [ 0.7951544523239136, 0.7397975325584412, 0.6481837034225464 ], [ 0.20484556257724762, 0.26020246744155884, 0.3518162965774536 ], [ 0.836901068687439, 0.5071427226066589, 0.5721341371536255 ], [ 0.16309896111488342, 0.49285727739334106, 0.4278658628463745 ], [ 0.9539637565612793, 0.6241757273674011, 0.7865680456161499 ], [ 0.04603626951575279, 0.3758242428302765, 0.2134319543838501 ], [ 0.013353059999644756, 0.4351641833782196, 0.8782371878623962 ], [ 0.9866469502449036, 0.564835786819458, 0.12176280468702316 ], [ 0.1117510199546814, 0.6659454703330994, 0.9992838501930237 ], [ 0.8882489800453186, 0.33405452966690063, 0.0007161449757404625 ], [ 0.8444864153862, 0.9813857078552246, 0.6766549944877625 ], [ 0.15551358461380005, 0.018614264205098152, 0.32334500551223755 ], [ 0.8285199999809265, 0.8290801644325256, 0.4848024249076843 ], [ 0.17148001492023468, 0.17091982066631317, 0.5151975750923157 ], [ 0.5816459655761719, 0.8591777086257935, 0.5474388003349304 ], [ 0.4183540642261505, 0.14082232117652893, 0.4525611996650696 ], [ 0.6942865252494812, 0.14706452190876007, 0.5897262692451477 ], [ 0.3057135045528412, 0.8529354929924011, 0.4102737605571747 ], [ 0.8696556091308594, 0.20898520946502686, 0.7995815873146057 ], [ 0.13034437596797943, 0.7910147905349731, 0.20041842758655548 ], [ 0.9923565983772278, 0.16283056139945984, 0.6369200944900513 ], [ 0.007643419783562422, 0.8371694087982178, 0.36307990550994873 ], [ 0.35562509298324585, 0.6978662014007568, 0.5373993515968323 ], [ 0.6443749070167542, 0.30213379859924316, 0.4626006782054901 ], [ 0.06028800085186958, 0.6976771354675293, 0.5068520903587341 ], [ 0.9397119879722595, 0.3023228645324707, 0.49314793944358826 ] ]
{ "a": 9.29804801940918, "b": 11.1334810256958, "c": 13.001521110534668, "alpha": 103.36720275878906, "beta": 107.56189727783203, "gamma": 92.3046875 }
2
SiO2
general_inorganic
false
null
5.6645
0.023596
-3.249235
false
[ "oxide", "silicate" ]
null
mp-1271757
[ "O", "V" ]
[ 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8 ]
12
2
[ [ 0.6670989990234375, 0.8188679814338684, 0.4814249873161316 ], [ 0.17361199855804443, 0.5185210108757019, 0.819471001625061 ], [ 0.8263880014419556, 0.4814789891242981, 0.18052899837493896 ], [ 0.3329010009765625, 0.1811320036649704, 0.5185750126838684 ], [ 0.869983971118927, 0.2962239980697632, 0.38050100207328796 ], [ 0.48139598965644836, 0.6210169792175293, 0.2937059998512268 ], [ 0.5186039805412292, 0.3789829909801483, 0.7062940001487732 ], [ 0.1300159990787506, 0.7037760019302368, 0.6194990277290344 ], [ 0.17599999904632568, 0.9461110234260559, 0.3663330078125 ], [ 0.7851880192756653, 0.6341699957847595, 0.9461699724197388 ], [ 0.8240000009536743, 0.05388899892568588, 0.6336669921875 ], [ 0.2148119956254959, 0.3658300042152405, 0.05383000150322914 ] ]
{ "a": 2.9329757690429688, "b": 7.35964822769165, "c": 7.415134906768799, "alpha": 88.47769165039062, "beta": 99.98164367675781, "gamma": 98.8797607421875 }
2
VO2
general_inorganic
false
null
0.9501
0.10478
-2.417688
false
[ "oxide" ]
null
mp-1272338
[ "O", "V" ]
[ 23, 23, 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
16
2
[ [ 0.590740978717804, 0.4606029987335205, 0.2229900062084198 ], [ 0.09206599742174149, 0.9617639780044556, 0.7205179929733276 ], [ 0.40925899147987366, 0.5393970012664795, 0.7770100235939026 ], [ 0.9079340100288391, 0.03823599964380264, 0.27948200702667236 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5530920028686523, 0.25612398982048035, 0.7470539808273315 ], [ 0.44690799713134766, 0.7438759803771973, 0.25294598937034607 ], [ 0.6132680177688599, 0.7695909738540649, 0.6667270064353943 ], [ 0.8145089745521545, 0.28944700956344604, 0.1615069955587387 ], [ 0.3867320120334625, 0.23040899634361267, 0.3332729935646057 ], [ 0.18549099564552307, 0.710552990436554, 0.8384929895401001 ], [ 0.21917599439620972, 0.2855449914932251, 0.9478750228881836 ], [ 0.018472999334335327, 0.7834410071372986, 0.4376299977302551 ], [ 0.7808240056037903, 0.7144550085067749, 0.0521249994635582 ], [ 0.9815269708633423, 0.21655899286270142, 0.5623700022697449 ] ]
{ "a": 5.189060688018799, "b": 5.702524185180664, "c": 7.466029167175293, "alpha": 97.91092681884766, "beta": 110.14588928222656, "gamma": 116.5248794555664 }
2
V3O5
general_inorganic
false
null
1.3118
0.007672
-2.522346
false
[ "oxide" ]
null