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{
"id": "mp-1099575",
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"structure_string": "Ce32 Se64\n1.0\n-5.860677 -13.219423 0.000000\n-17.838511 -0.000347 -19.805291\n11.977835 -13.219076 -19.805291\nCe Se\n32 64\ndirect\n0.817083 0.116757 0.116757 Ce\n0.182917 0.883243 0.883243 Ce\n0.550596 0.883243 0.883243 Ce\n0.449404 0.116757 0.116757 Ce\n0.679969 0.253688 0.253688 Ce\n0.320031 0.746312 0.746312 Ce\n0.687344 0.746312 0.746312 Ce\n0.312656 0.253688 0.253688 Ce\n0.790119 0.425213 0.126916 Ce\n0.209881 0.873084 0.574787 Ce\n0.842249 0.873084 0.574787 Ce\n0.157751 0.425213 0.126916 Ce\n0.209881 0.574787 0.873084 Ce\n0.790119 0.126916 0.425213 Ce\n0.157751 0.126916 0.425213 Ce\n0.842249 0.574787 0.873084 Ce\n0.765794 0.391643 0.944404 Ce\n0.234206 0.055596 0.608357 Ce\n0.601841 0.055596 0.608357 Ce\n0.398159 0.391643 0.944404 Ce\n0.234206 0.608357 0.055596 Ce\n0.765794 0.944404 0.391643 Ce\n0.398159 0.944404 0.391643 Ce\n0.601841 0.608357 0.055596 Ce\n0.997302 0.208299 0.921527 Ce\n0.002698 0.078473 0.791701 Ce\n0.627128 0.078473 0.791701 Ce\n0.372872 0.208299 0.921527 Ce\n0.002698 0.791701 0.078473 Ce\n0.997302 0.921527 0.208299 Ce\n0.372872 0.921527 0.208299 Ce\n0.627128 0.791701 0.078473 Ce\n0.648989 0.101011 0.101011 Se\n0.351011 0.898989 0.898989 Se\n0.768724 0.185250 0.185250 Se\n0.231276 0.814750 0.814750 Se\n0.639223 0.814750 0.814750 Se\n0.360777 0.185250 0.185250 Se\n0.924827 0.158816 0.021903 Se\n0.075173 0.978097 0.841184 Se\n0.605546 0.978097 0.841184 Se\n0.394454 0.158816 0.021903 Se\n0.075173 0.841184 0.978097 Se\n0.924827 0.021903 0.158816 Se\n0.394454 0.021903 0.158816 Se\n0.605546 0.841184 0.978097 Se\n0.480513 0.269487 0.269487 Se\n0.519487 0.730513 0.730513 Se\n0.734702 0.348645 0.211262 Se\n0.265298 0.788738 0.651355 Se\n0.794610 0.788738 0.651355 Se\n0.205390 0.348645 0.211262 Se\n0.265298 0.651355 0.788738 Se\n0.734702 0.211262 0.348645 Se\n0.205390 0.211262 0.348645 Se\n0.794610 0.651355 0.788738 Se\n0.959250 0.446673 0.134827 Se\n0.040750 0.865173 0.553327 Se\n0.040750 0.553327 0.865173 Se\n0.959250 0.134827 0.446673 Se\n0.821810 0.390495 0.034489 Se\n0.178190 0.965511 0.609505 Se\n0.746795 0.965511 0.609505 Se\n0.253205 0.390495 0.034489 Se\n0.178190 0.609505 0.965511 Se\n0.821810 0.034489 0.390495 Se\n0.253205 0.034489 0.390495 Se\n0.746795 0.609505 0.965511 Se\n0.645990 0.515922 0.125889 Se\n0.354010 0.874111 0.484078 Se\n0.787801 0.874111 0.484078 Se\n0.212199 0.515922 0.125889 Se\n0.354010 0.484078 0.874111 Se\n0.645990 0.125889 0.515922 Se\n0.212199 0.125889 0.515922 Se\n0.787801 0.484078 0.874111 Se\n0.573062 0.384973 0.968903 Se\n0.426938 0.031097 0.615027 Se\n0.426938 0.615027 0.031097 Se\n0.573062 0.968903 0.384973 Se\n0.879819 0.306955 0.900267 Se\n0.120181 0.099733 0.693045 Se\n0.587042 0.099733 0.693045 Se\n0.412958 0.306955 0.900267 Se\n0.120181 0.693045 0.099733 Se\n0.879819 0.900267 0.306955 Se\n0.412958 0.900267 0.306955 Se\n0.587042 0.693045 0.099733 Se\n-0.000000 0.149763 0.850237 Se\n0.500000 0.149763 0.850237 Se\n0.000000 0.850237 0.149763 Se\n0.500000 0.850237 0.149763 Se\n0.184041 0.218062 0.913856 Se\n0.815959 0.086144 0.781938 Se\n0.815959 0.781938 0.086144 Se\n0.184041 0.913856 0.218062 Se\n",
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{
"id": "mp-1521297",
"created_at": "2022-09-04T14:43:33.545042Z",
"structure_string": "Eu1 Ti1 Nb1 Sn1 O6\n1.0\n-0.000000 -4.016690 -4.016690\n4.016690 0.000000 -4.016690\n4.016690 -4.016690 0.000000\nEu Ti Nb Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 -0.000000 Nb\n0.250000 0.250000 0.250000 Sn\n0.747257 0.252743 0.252743 O\n0.252743 0.747257 0.747257 O\n0.747257 0.252743 0.747257 O\n0.252743 0.747257 0.252743 O\n0.747257 0.747257 0.252743 O\n0.252743 0.252743 0.747257 O\n",
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"formula_full": "Eu1 Ti1 Nb1 Sn1 O6",
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{
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{
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"structure_string": "P4 Pb2 O16\n1.0\n5.454446 0.000000 0.000000\n-2.701265 7.687715 0.000000\n-2.663684 -3.264797 7.525544\nP Pb O\n4 2 16\ndirect\n0.852653 0.213343 0.925164 P\n0.147347 0.786657 0.074836 P\n0.857598 0.746463 0.531853 P\n0.142402 0.253537 0.468147 P\n0.471666 0.713702 0.792400 Pb\n0.528334 0.286298 0.207600 Pb\n0.186200 0.326203 0.029434 O\n0.813800 0.673797 0.970566 O\n0.774691 0.236471 0.746286 O\n0.225309 0.763529 0.253714 O\n0.762763 0.009443 0.910872 O\n0.237237 0.990557 0.089128 O\n0.704581 0.311998 0.016861 O\n0.295419 0.688002 0.983139 O\n0.592505 0.694363 0.569763 O\n0.407495 0.305637 0.430237 O\n0.804891 0.595984 0.359705 O\n0.195109 0.404016 0.640295 O\n0.864787 0.942352 0.500603 O\n0.135213 0.057648 0.499397 O\n0.144865 0.810149 0.686540 O\n0.855135 0.189851 0.313460 O\n",
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{
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"structure_string": "Na6 Pd3 F18\n1.0\n4.675317 -8.097886 0.000000\n4.675317 8.097886 0.000000\n0.000000 0.000000 5.305059\nNa Pd F\n6 3 18\ndirect\n0.292049 0.000000 0.500000 Na\n0.000000 0.292049 0.500000 Na\n0.707951 0.707951 0.500000 Na\n0.625313 0.000000 0.000000 Na\n0.000000 0.625313 0.000000 Na\n0.374687 0.374687 0.000000 Na\n0.333333 0.666667 0.494460 Pd\n0.666667 0.333333 0.505540 Pd\n0.000000 0.000000 0.000000 Pd\n0.468653 0.250995 0.297410 F\n0.749005 0.217658 0.297410 F\n0.250995 0.468653 0.702590 F\n0.782342 0.531347 0.297410 F\n0.217658 0.749005 0.702590 F\n0.531347 0.782342 0.702590 F\n0.107591 0.200358 0.204013 F\n0.799642 0.907233 0.204013 F\n0.200358 0.107591 0.795987 F\n0.092767 0.892409 0.204013 F\n0.907233 0.799642 0.795987 F\n0.892409 0.092767 0.795987 F\n0.136751 0.545558 0.284797 F\n0.454442 0.591194 0.284797 F\n0.545558 0.136751 0.715203 F\n0.408806 0.863249 0.284797 F\n0.591194 0.454442 0.715203 F\n0.863249 0.408806 0.715203 F\n",
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{
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{
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{
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},
{
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"structure_string": "Ba4 Sr4 Nd4 Mn4 O24\n1.0\n8.466777 0.000000 0.000000\n0.000000 8.449868 0.000000\n0.000000 0.000000 8.463379\nBa Sr Nd Mn O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.252420 0.250112 0.251364 Nd\n0.747580 0.749888 0.251364 Nd\n0.747580 0.250112 0.748636 Nd\n0.252420 0.749888 0.748636 Nd\n0.748114 0.749964 0.749628 Mn\n0.251886 0.250036 0.749628 Mn\n0.251886 0.749964 0.250372 Mn\n0.748114 0.250036 0.250372 Mn\n0.977227 0.232093 0.269484 O\n0.022773 0.767907 0.269484 O\n0.022773 0.232093 0.730516 O\n0.977227 0.767907 0.730516 O\n0.276660 0.977816 0.225089 O\n0.276660 0.022184 0.774911 O\n0.723341 0.022184 0.225089 O\n0.723341 0.977816 0.774911 O\n0.232891 0.270027 0.976985 O\n0.767109 0.270027 0.023015 O\n0.232891 0.729973 0.023015 O\n0.767109 0.729973 0.976985 O\n0.522335 0.277100 0.221558 O\n0.477665 0.722900 0.221558 O\n0.477665 0.277100 0.778442 O\n0.522335 0.722900 0.778442 O\n0.225513 0.522011 0.277943 O\n0.225513 0.477989 0.722057 O\n0.774487 0.477989 0.277943 O\n0.774487 0.522011 0.722057 O\n0.279438 0.223154 0.522406 O\n0.720562 0.223154 0.477594 O\n0.279438 0.776846 0.477594 O\n0.720562 0.776846 0.522406 O\n",
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"formula_full": "Ba4 Sr4 Nd4 Mn4 O24",
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"volume": 390.97370968954607,
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"formula_full": "Yb8 Pt2",
"formula_reduced": "Yb4Pt",
"formula_anonymous": "AB4",
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"updated_at": "2021-11-28T01:36:19.305000Z",
"spacegroup": 227
},
{
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"created_at": "2022-09-04T14:43:36.550917Z",
"structure_string": "Ba2 Y1 Mn2 Tl1 O7\n1.0\n3.919240 0.000000 0.000000\n0.000000 3.919240 0.000000\n0.000000 0.000000 13.398181\nBa Y Mn Tl O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.197751 Ba\n0.500000 0.500000 0.802249 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.359106 Mn\n0.000000 0.000000 0.640894 Mn\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.207351 O\n0.000000 0.500000 0.394500 O\n0.500000 0.000000 0.394500 O\n0.500000 0.000000 0.605500 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.605500 O\n0.000000 0.000000 0.792649 O\n",
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"volume_molar": 9.533603996617217,
"formula_full": "Ba2 Y1 Mn2 Tl1 O7",
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]
}