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{
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{
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},
{
"id": "mp-617247",
"created_at": "2022-09-04T14:41:27.661169Z",
"structure_string": "Cu8 Bi4 P4 O24\n1.0\n5.174049 -0.000002 -0.000002\n-0.000003 7.885323 -0.003292\n-0.000005 -0.004944 12.031754\nCu Bi P O\n8 4 4 24\ndirect\n0.249996 0.683474 0.930715 Cu\n0.749998 0.812103 0.588487 Cu\n0.750003 0.183419 0.569075 Cu\n0.749999 0.688016 0.088479 Cu\n0.250000 0.311937 0.911566 Cu\n0.249999 0.187967 0.411462 Cu\n0.250004 0.816651 0.430932 Cu\n0.750000 0.316523 0.069177 Cu\n0.750000 0.527496 0.388781 Bi\n0.250000 0.472528 0.611231 Bi\n0.750001 0.972453 0.888794 Bi\n0.249999 0.027482 0.111194 Bi\n0.249999 0.037372 0.697078 P\n0.750001 0.962635 0.302907 P\n0.250000 0.462845 0.197121 P\n0.750001 0.537186 0.802896 P\n0.749999 0.419621 0.701822 O\n0.999990 0.506776 0.874675 O\n0.250000 0.274695 0.232919 O\n0.000038 0.993192 0.374686 O\n0.750000 0.774566 0.267006 O\n0.997660 0.822991 0.006313 O\n0.500017 0.493206 0.125328 O\n0.500011 0.506776 0.874675 O\n0.002194 0.322981 0.493696 O\n0.750000 0.725327 0.767076 O\n0.250000 0.225414 0.732983 O\n0.999983 0.493206 0.125329 O\n0.750000 0.080306 0.201917 O\n0.497805 0.322981 0.493696 O\n0.500078 0.006819 0.625317 O\n0.497759 0.176967 0.993710 O\n0.502340 0.822992 0.006314 O\n0.502240 0.677037 0.506323 O\n0.250000 0.919676 0.798101 O\n0.002241 0.176968 0.993711 O\n0.250000 0.580365 0.298182 O\n0.999923 0.006819 0.625317 O\n0.997760 0.677038 0.506323 O\n0.499963 0.993192 0.374686 O\n",
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"spacegroup": 62
},
{
"id": "mp-28337",
"created_at": "2022-09-04T14:41:27.669251Z",
"structure_string": "V4 As2 O13\n1.0\n5.059197 0.000000 0.000000\n-0.852537 -4.996197 0.000000\n-1.607625 0.227647 -8.814516\nV As O\n4 2 13\ndirect\n0.908391 0.816196 0.641243 V\n0.575593 0.245996 0.702793 V\n0.739096 0.045178 0.316509 V\n0.448685 0.539275 0.060158 V\n0.242183 0.565453 0.413599 As\n0.001304 0.994961 0.000856 As\n0.922688 0.507961 0.721962 O\n0.255790 0.048365 0.682687 O\n0.701814 0.072773 0.531121 O\n0.597233 0.282055 0.213580 O\n0.535620 0.427544 0.901601 O\n0.415591 0.729471 0.280159 O\n0.802950 0.839407 0.127450 O\n0.088327 0.326751 0.048429 O\n0.792121 0.982358 0.820374 O\n0.975546 0.730132 0.435643 O\n0.116211 0.242640 0.358702 O\n0.472742 0.565952 0.581255 O\n0.268232 0.844831 0.982908 O\n",
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"elements": [
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"formula_full": "V4 As2 O13",
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{
"id": "mp-1197914",
"created_at": "2022-09-04T14:41:27.671111Z",
"structure_string": "Cu4 H24 C8 Se4 Cl4\n1.0\n6.884544 0.000000 0.000000\n0.000000 7.291262 0.000000\n0.000000 1.522103 11.300445\nCu H C Se Cl\n4 24 8 4 4\ndirect\n0.047599 0.999868 0.622702 Cu\n0.547599 0.000132 0.877298 Cu\n0.952401 0.000132 0.377298 Cu\n0.452401 0.999868 0.122702 Cu\n0.082920 0.868479 0.947828 H\n0.582920 0.131521 0.552172 H\n0.917080 0.131521 0.052172 H\n0.417080 0.868479 0.447828 H\n0.206136 0.650390 0.949265 H\n0.706136 0.349610 0.550735 H\n0.793864 0.349610 0.050735 H\n0.293864 0.650390 0.449265 H\n0.989077 0.700947 0.860567 H\n0.489077 0.299053 0.639433 H\n0.010923 0.299053 0.139433 H\n0.510923 0.700947 0.360567 H\n0.508256 0.670825 0.658910 H\n0.008256 0.329175 0.841090 H\n0.491744 0.329175 0.341090 H\n0.991744 0.670825 0.158910 H\n0.427478 0.546384 0.797690 H\n0.927478 0.453616 0.702310 H\n0.572522 0.453616 0.202310 H\n0.072522 0.546384 0.297690 H\n0.267783 0.570872 0.670869 H\n0.767783 0.429128 0.829131 H\n0.732217 0.429128 0.329131 H\n0.232217 0.570872 0.170869 H\n0.383470 0.635298 0.717250 C\n0.883470 0.364702 0.782750 C\n0.616530 0.364702 0.282750 C\n0.116530 0.635298 0.217250 C\n0.120352 0.757219 0.896237 C\n0.620352 0.242781 0.603763 C\n0.879648 0.242781 0.103763 C\n0.379648 0.757219 0.396237 C\n0.285430 0.868531 0.764938 Se\n0.785430 0.131469 0.735062 Se\n0.714570 0.131469 0.235062 Se\n0.214570 0.868531 0.264938 Se\n0.131675 0.224522 0.466774 Cl\n0.631675 0.775478 0.033226 Cl\n0.868325 0.775478 0.533226 Cl\n0.368325 0.224522 0.966774 Cl\n",
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{
"id": "mp-752853",
"created_at": "2022-09-04T14:41:27.674639Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n2.234884 -2.234831 4.307954\n6.700580 -6.700784 -4.304198\n4.468820 4.468896 0.000093\nLi Fe Si O\n8 4 4 16\ndirect\n0.999857 0.500052 0.250123 Li\n0.249884 0.750048 0.750080 Li\n0.499907 0.999992 0.250065 Li\n0.749760 0.250027 0.750119 Li\n0.000013 0.499939 0.749986 Li\n0.249673 0.750061 0.249927 Li\n0.499958 0.000017 0.749905 Li\n0.749810 0.250074 0.249974 Li\n0.499906 0.499937 0.999929 Fe\n0.749502 0.749887 0.500198 Fe\n0.999970 0.000009 0.000096 Fe\n0.249571 0.249844 0.499952 Fe\n0.500090 0.500080 0.500017 Si\n0.749915 0.750025 0.999885 Si\n0.000070 0.000096 0.499926 Si\n0.249949 0.250036 0.999967 Si\n0.667473 0.444284 0.286724 O\n0.917427 0.694218 0.786656 O\n0.167506 0.944387 0.286589 O\n0.417399 0.194306 0.786648 O\n0.667557 0.444351 0.713356 O\n0.917275 0.694295 0.213254 O\n0.167510 0.944299 0.713260 O\n0.417528 0.194252 0.213238 O\n0.226579 0.448750 0.500287 O\n0.476360 0.698633 0.999888 O\n0.726597 0.948752 0.499831 O\n0.976388 0.198640 0.000126 O\n0.439065 0.662695 0.499990 O\n0.689228 0.912665 0.999908 O\n0.939052 0.162703 0.500015 O\n0.189225 0.412650 0.000084 O\n",
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},
{
"id": "mp-1197658",
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"structure_string": "Ba32 Cu64 P120\n1.0\n-0.000000 -10.168773 0.000000\n-14.208785 0.000000 0.000000\n0.000000 0.000000 -28.205812\nBa Cu P\n32 64 120\ndirect\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.005204 -0.000000 0.250000 Ba\n0.494796 0.500000 0.750000 Ba\n0.994796 -0.000000 0.750000 Ba\n0.505204 0.500000 0.250000 Ba\n0.991143 0.621780 0.315024 Ba\n0.508857 0.878220 0.815024 Ba\n0.508857 0.121780 0.684976 Ba\n0.991143 0.378220 0.184976 Ba\n0.008857 0.378220 0.684976 Ba\n0.491143 0.121780 0.184976 Ba\n0.491143 0.878220 0.315024 Ba\n0.008857 0.621780 0.815024 Ba\n0.008586 0.874442 0.441076 Ba\n0.491414 0.625558 0.941076 Ba\n0.491414 0.374442 0.558924 Ba\n0.008586 0.125558 0.058924 Ba\n0.991414 0.125558 0.558924 Ba\n0.508586 0.374442 0.058924 Ba\n0.508586 0.625558 0.441076 Ba\n0.991414 0.874442 0.941076 Ba\n0.253555 0.750651 0.123902 Ba\n0.246445 0.749349 0.623902 Ba\n0.246445 0.250651 0.876098 Ba\n0.253555 0.249349 0.376098 Ba\n0.746445 0.249349 0.876098 Ba\n0.753555 0.250651 0.376098 Ba\n0.753555 0.749349 0.123902 Ba\n0.746445 0.750651 0.623902 Ba\n0.184822 0.813530 0.249412 Cu\n0.315178 0.686470 0.749412 Cu\n0.315178 0.313530 0.750588 Cu\n0.184822 0.186470 0.250588 Cu\n0.815178 0.186470 0.750588 Cu\n0.684822 0.313530 0.250588 Cu\n0.684822 0.686470 0.249412 Cu\n0.815178 0.813530 0.749412 Cu\n0.319299 0.998647 0.407005 Cu\n0.180701 0.501353 0.907005 Cu\n0.180701 0.498647 0.592995 Cu\n0.319299 0.001353 0.092995 Cu\n0.680701 0.001353 0.592995 Cu\n0.819299 0.498647 0.092995 Cu\n0.819299 0.501353 0.407005 Cu\n0.680701 0.998647 0.907005 Cu\n0.005411 0.283416 0.454369 Cu\n0.494589 0.216584 0.954369 Cu\n0.494589 0.783416 0.545631 Cu\n0.005411 0.716584 0.045631 Cu\n0.994589 0.716584 0.545631 Cu\n0.505411 0.783416 0.045631 Cu\n0.505411 0.216584 0.454369 Cu\n0.994589 0.283416 0.954369 Cu\n0.003160 0.092991 0.357113 Cu\n0.496840 0.407009 0.857113 Cu\n0.496840 0.592991 0.642887 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