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{
"id": "mp-866783",
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"structure_string": "Fe2 H12 C4 N4 O8\n1.0\n0.000000 -6.755861 0.000000\n5.629510 -3.377930 -4.457167\n5.625288 -3.377930 4.908888\nFe H C N O\n2 12 4 4 8\ndirect\n0.263163 0.250000 0.750000 Fe\n0.736837 0.750000 0.250000 Fe\n0.053172 0.000491 0.773231 H\n0.826894 0.499509 0.726769 H\n0.946828 0.999509 0.226769 H\n0.173106 0.500491 0.273231 H\n0.139643 0.098793 0.559031 H\n0.797467 0.401207 0.940969 H\n0.860357 0.901207 0.440969 H\n0.202533 0.598793 0.059031 H\n0.324742 0.927243 0.650780 H\n0.902765 0.572757 0.849220 H\n0.675258 0.072757 0.349220 H\n0.097235 0.427243 0.150780 H\n0.613322 0.968776 0.920685 C\n0.502783 0.531224 0.579315 C\n0.386678 0.031224 0.079315 C\n0.497217 0.468776 0.420685 C\n0.183531 0.047021 0.676068 N\n0.906620 0.452979 0.823932 N\n0.816469 0.952979 0.323932 N\n0.093380 0.547021 0.176068 N\n0.604915 0.035451 0.760532 O\n0.400898 0.464549 0.739468 O\n0.395085 0.964549 0.239468 O\n0.599102 0.535451 0.260532 O\n0.791924 0.854152 0.965637 O\n0.611713 0.645848 0.534363 O\n0.208076 0.145848 0.034363 O\n0.388287 0.354152 0.465637 O\n",
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{
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"structure_string": "Nb13 Ni13\n1.0\n17.834881 -2.451352 0.000000\n17.834881 2.451352 0.000000\n17.497950 0.000000 4.232477\nNb Ni\n13 13\ndirect\n0.775202 0.775202 0.775202 Nb\n0.273651 0.273651 0.273651 Nb\n0.726349 0.726349 0.726349 Nb\n0.224798 0.224798 0.224798 Nb\n0.417966 0.417966 0.417966 Nb\n0.915500 0.915500 0.915500 Nb\n0.084500 0.084500 0.084500 Nb\n0.582034 0.582034 0.582034 Nb\n0.826990 0.826990 0.826990 Nb\n0.326628 0.326628 0.326628 Nb\n0.673372 0.673372 0.673372 Nb\n0.173010 0.173010 0.173010 Nb\n0.000000 0.000000 0.000000 Nb\n0.208452 0.208452 0.702412 Ni\n0.704186 0.704186 0.203711 Ni\n0.702412 0.208452 0.208452 Ni\n0.203711 0.704186 0.704186 Ni\n0.208452 0.702412 0.208452 Ni\n0.704186 0.203711 0.704186 Ni\n0.295814 0.295814 0.796289 Ni\n0.791548 0.791548 0.297588 Ni\n0.796289 0.295814 0.295814 Ni\n0.297588 0.791548 0.791548 Ni\n0.295814 0.796289 0.295814 Ni\n0.791548 0.297588 0.791548 Ni\n0.500000 0.500000 0.500000 Ni\n",
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},
{
"id": "mp-1213069",
"created_at": "2022-09-04T14:46:58.230036Z",
"structure_string": "Fe6 Pb10 F38\n1.0\n-7.317765 7.317765 3.954724\n7.317765 -7.317765 3.954724\n7.317765 7.317765 -3.954724\nFe Pb F\n6 10 38\ndirect\n0.286452 0.108740 0.500000 Fe\n0.608740 0.786452 0.500000 Fe\n0.108740 0.608740 0.822287 Fe\n0.786452 0.286452 0.177713 Fe\n0.748797 0.748797 0.000000 Fe\n0.248797 0.248797 0.000000 Fe\n0.664900 0.963043 0.842638 Pb\n0.120406 0.822262 0.157362 Pb\n0.963043 0.120406 0.298143 Pb\n0.164900 0.322262 0.701857 Pb\n0.822262 0.664900 0.701857 Pb\n0.620406 0.463043 0.298143 Pb\n0.463043 0.164900 0.842638 Pb\n0.322262 0.620406 0.157362 Pb\n0.289652 0.789652 0.500000 Pb\n0.789652 0.289652 0.500000 Pb\n0.463768 0.108651 0.500000 F\n0.608651 0.963768 0.500000 F\n0.108651 0.608651 0.644882 F\n0.963768 0.463768 0.355118 F\n0.718965 0.090956 0.243344 F\n0.847612 0.475621 0.756656 F\n0.090956 0.847612 0.371991 F\n0.218965 0.975621 0.628009 F\n0.475621 0.718965 0.628009 F\n0.347612 0.590956 0.371991 F\n0.590956 0.218965 0.243344 F\n0.975621 0.347612 0.756656 F\n0.629716 0.628854 0.500000 F\n0.128854 0.129716 0.500000 F\n0.628854 0.128854 0.999138 F\n0.129716 0.629716 0.000862 F\n0.786543 0.516727 0.500000 F\n0.016727 0.286543 0.500000 F\n0.516727 0.016727 0.730184 F\n0.286543 0.786543 0.269816 F\n0.002955 0.002955 0.000000 F\n0.502955 0.502955 0.000000 F\n0.703105 0.879884 0.061116 F\n0.818768 0.641989 0.938884 F\n0.879884 0.818768 0.176779 F\n0.203105 0.141989 0.823221 F\n0.641989 0.703105 0.823221 F\n0.318768 0.379884 0.176779 F\n0.379884 0.203105 0.061116 F\n0.141989 0.318768 0.938884 F\n0.352720 0.705743 0.856996 F\n0.848746 0.495724 0.143004 F\n0.705743 0.848746 0.353022 F\n0.852720 0.995724 0.646978 F\n0.495724 0.352720 0.646978 F\n0.348746 0.205743 0.353022 F\n0.205743 0.852720 0.856996 F\n0.995724 0.348746 0.143004 F\n",
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"volume": 847.0968914446663,
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"formula_full": "Fe6 Pb10 F38",
"formula_reduced": "Fe3Pb5F19",
"formula_anonymous": "A3B5C19",
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"updated_at": "2021-11-28T01:37:49.621000Z",
"spacegroup": 108
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{
"id": "mp-1210077",
"created_at": "2022-09-04T14:46:58.483769Z",
"structure_string": "Nd12 Os5 C15\n1.0\n5.495086 -9.517769 0.000000\n5.495086 9.517769 0.000000\n0.000000 0.000000 5.346307\nNd Os C\n12 5 15\ndirect\n0.793485 0.000000 0.500000 Nd\n0.000000 0.793485 0.500000 Nd\n0.206515 0.206515 0.500000 Nd\n0.273887 0.457601 0.000000 Nd\n0.542399 0.816287 0.000000 Nd\n0.457601 0.273887 0.000000 Nd\n0.183713 0.726113 0.000000 Nd\n0.816287 0.542399 0.000000 Nd\n0.726113 0.183713 0.000000 Nd\n0.426975 0.000000 0.500000 Nd\n0.000000 0.426975 0.500000 Nd\n0.573025 0.573025 0.500000 Nd\n0.160014 0.000000 0.000000 Os\n0.000000 0.160014 0.000000 Os\n0.839986 0.839986 0.000000 Os\n0.333333 0.666667 0.500000 Os\n0.666667 0.333333 0.500000 Os\n0.330976 0.000000 0.000000 C\n0.000000 0.330976 0.000000 C\n0.669024 0.669024 0.000000 C\n0.799217 0.000000 0.000000 C\n0.000000 0.799217 0.000000 C\n0.200783 0.200783 0.000000 C\n0.452392 0.000000 0.000000 C\n0.000000 0.452392 0.000000 C\n0.547608 0.547608 0.000000 C\n0.287470 0.474041 0.500000 C\n0.525959 0.813429 0.500000 C\n0.474041 0.287470 0.500000 C\n0.186571 0.712530 0.500000 C\n0.813429 0.525959 0.500000 C\n0.712530 0.186571 0.500000 C\n",
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"formula_full": "Nd12 Os5 C15",
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{
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"created_at": "2022-09-04T14:46:41.940725Z",
"structure_string": "Li7 Ti1 Cr3 P6 O24\n1.0\n7.614302 -4.436693 0.000000\n7.614302 4.436693 0.000000\n5.029135 0.000000 7.236688\nLi Ti Cr P O\n7 1 3 6 24\ndirect\n0.798473 0.628752 0.248340 Li\n0.628752 0.248340 0.798473 Li\n0.248340 0.798473 0.628752 Li\n0.474575 0.474575 0.474575 Li\n0.800791 0.059086 0.235979 Li\n0.235979 0.800791 0.059086 Li\n0.059086 0.235979 0.800791 Li\n0.143649 0.143649 0.143649 Ti\n0.854295 0.854295 0.854295 Cr\n0.352669 0.352669 0.352669 Cr\n0.644487 0.644487 0.644487 Cr\n0.954368 0.253815 0.537865 P\n0.537865 0.954368 0.253815 P\n0.253815 0.537865 0.954368 P\n0.748244 0.455986 0.045436 P\n0.455986 0.045436 0.748244 P\n0.045436 0.748244 0.455986 P\n0.911723 0.102340 0.728666 O\n0.000469 0.204287 0.372968 O\n0.772633 0.425183 0.539886 O\n0.527733 0.114132 0.290194 O\n0.728666 0.911723 0.102340 O\n0.539886 0.772633 0.425183 O\n0.290194 0.527733 0.114132 O\n0.425183 0.539886 0.772633 O\n0.800237 0.609120 0.027095 O\n0.913098 0.265541 0.062704 O\n0.114132 0.290194 0.527733 O\n0.609120 0.027095 0.800237 O\n0.372968 0.000469 0.204287 O\n0.874253 0.715819 0.488116 O\n0.102340 0.728666 0.911723 O\n0.204287 0.372968 0.000469 O\n0.585880 0.430429 0.228487 O\n0.715819 0.488116 0.874253 O\n0.430429 0.228487 0.585880 O\n0.265541 0.062704 0.913098 O\n0.488116 0.874253 0.715819 O\n0.027095 0.800237 0.609120 O\n0.228487 0.585880 0.430429 O\n0.062704 0.913098 0.265541 O\n",
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{
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"formula_full": "Sr1 Eu1 Ni1 W1 O6",
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:46:41.226065Z",
"structure_string": "Lu4 Sb4 O14\n1.0\n-3.762656 3.812908 5.249647\n3.762656 -3.812908 5.249647\n3.762656 3.812908 -5.249647\nLu Sb O\n4 4 14\ndirect\n0.740440 0.000000 0.740440 Lu\n0.737058 0.542155 0.779213 Lu\n0.240440 0.500000 0.740440 Lu\n0.237058 0.457845 0.194902 Lu\n0.262521 0.000000 0.262521 Sb\n0.735848 0.991386 0.227234 Sb\n0.762521 0.500000 0.262521 Sb\n0.235848 0.008614 0.744463 Sb\n0.105003 0.087997 0.939428 O\n0.351431 0.334425 0.939428 O\n0.362775 0.373160 0.499304 O\n0.604399 0.041311 0.419022 O\n0.984057 0.012625 0.496683 O\n0.877712 0.314623 0.419022 O\n0.626144 0.636528 0.499304 O\n0.862775 0.363472 0.989616 O\n0.104399 0.685377 0.563089 O\n0.484057 0.987375 0.971432 O\n0.377712 0.958690 0.563089 O\n0.126144 0.626840 0.989616 O\n0.605003 0.665575 0.017006 O\n0.851431 0.912003 0.017006 O\n",
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"formula_full": "Lu4 Sb4 O14",
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{
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"created_at": "2022-09-04T14:47:01.826028Z",
"structure_string": "Be24 Ru16\n1.0\n-4.812737 -4.812737 4.812737\n-4.812737 4.812737 -4.812737\n4.812737 -4.812737 -4.812737\nBe Ru\n24 16\ndirect\n0.610047 0.746316 0.558322 Be\n0.389953 0.253684 0.441678 Be\n0.889953 0.948275 0.636269 Be\n0.312006 0.753684 0.863731 Be\n0.746316 0.558322 0.610047 Be\n0.110047 0.051725 0.363731 Be\n0.687994 0.246316 0.136269 Be\n0.253684 0.441678 0.389953 Be\n0.187994 0.551725 0.941678 Be\n0.948275 0.636269 0.889953 Be\n0.812006 0.448275 0.058322 Be\n0.051725 0.363731 0.110047 Be\n0.753684 0.863731 0.312006 Be\n0.246316 0.136269 0.687994 Be\n0.551725 0.941678 0.187994 Be\n0.448275 0.058322 0.812006 Be\n0.558322 0.610047 0.746316 Be\n0.441678 0.389953 0.253684 Be\n0.863731 0.312006 0.753684 Be\n0.136269 0.687994 0.246316 Be\n0.941678 0.187994 0.551725 Be\n0.058322 0.812006 0.448275 Be\n0.636269 0.889953 0.948275 Be\n0.363731 0.110047 0.051725 Be\n0.618159 0.368159 0.750000 Ru\n0.381841 0.631841 0.250000 Ru\n0.881841 0.131841 0.250000 Ru\n0.368159 0.750000 0.618159 Ru\n0.118159 0.868159 0.750000 Ru\n0.631841 0.250000 0.381841 Ru\n0.131841 0.250000 0.881841 Ru\n0.868159 0.750000 0.118159 Ru\n0.750000 0.618159 0.368159 Ru\n0.250000 0.381841 0.631841 Ru\n0.250000 0.881841 0.131841 Ru\n0.750000 0.118159 0.868159 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Zn2 Si2 O6\n1.0\n4.871641 -2.403615 0.000000\n4.871641 2.403615 0.000000\n3.685724 0.000000 3.990701\nZn Si O\n2 2 6\ndirect\n0.369481 0.369481 0.369481 Zn\n0.630519 0.630519 0.630519 Zn\n0.160875 0.160875 0.160875 Si\n0.839125 0.839125 0.839125 Si\n0.437356 0.802487 0.046046 O\n0.802487 0.046046 0.437356 O\n0.046046 0.437356 0.802487 O\n0.562644 0.197513 0.953954 O\n0.197513 0.953954 0.562644 O\n0.953954 0.562644 0.197513 O\n",
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"formula_full": "Zn2 Si2 O6",
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}
]
}