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{
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{
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{
"id": "mp-1234403",
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"structure_string": "Ca1 Er4 Zr4 O14\n1.0\n3.382727 -0.000000 2.391951\n0.363606 6.921340 13.837482\n0.290945 -0.161073 13.940241\nCa Er Zr O\n1 4 4 14\ndirect\n0.500000 0.250000 -0.000000 Ca\n-0.000000 0.250000 -0.000000 Er\n0.922648 0.996394 0.542281 Er\n-0.000000 0.750000 0.500000 Er\n0.077352 0.503606 0.457719 Er\n0.054484 0.006620 0.966138 Zr\n0.945516 0.493380 0.033862 Zr\n-0.000000 0.250000 0.500000 Zr\n-0.000000 0.750000 -0.000000 Zr\n0.234790 0.995795 0.136810 O\n0.133207 0.243757 0.189640 O\n0.233846 0.001147 0.631929 O\n0.259815 0.504064 0.116028 O\n0.306866 0.209074 0.637493 O\n0.285797 0.762300 0.094802 O\n0.693134 0.290926 0.362507 O\n0.740185 0.995936 0.883972 O\n0.766154 0.498853 0.368071 O\n0.866793 0.256243 0.810360 O\n0.748827 0.671660 0.453927 O\n0.251173 0.828340 0.546073 O\n0.765210 0.504205 0.863190 O\n0.714203 0.737700 0.905198 O\n",
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{
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"created_at": "2022-09-04T14:48:23.372585Z",
"structure_string": "Li2 Ti2 Nb2 O8\n1.0\n-3.032096 3.058045 4.325153\n3.032096 -3.058045 4.325153\n3.032096 3.058045 -4.325153\nLi Ti Nb O\n2 2 2 8\ndirect\n0.124113 0.374113 0.750000 Li\n0.875887 0.625887 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.258304 0.785619 0.027315 O\n0.247850 0.236625 0.011225 O\n0.725400 0.236625 0.488775 O\n0.258304 0.230989 0.472685 O\n0.741696 0.769011 0.527315 O\n0.752151 0.763375 0.988775 O\n0.274600 0.763375 0.511225 O\n0.741696 0.214381 0.972685 O\n",
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{
"id": "mp-1181805",
"created_at": "2022-09-04T14:48:23.403471Z",
"structure_string": "Co2 Ge2 O12 F12\n1.0\n8.716210 0.000000 0.000000\n0.000000 6.023054 0.000000\n0.000000 1.980264 7.430477\nCo Ge O F\n2 2 12 12\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.526367 0.440657 0.784772 O\n0.026367 0.559343 0.715228 O\n0.473633 0.559343 0.215228 O\n0.973633 0.440657 0.284772 O\n0.661988 0.329801 0.094154 O\n0.161988 0.670199 0.405846 O\n0.338012 0.670199 0.905846 O\n0.838012 0.329801 0.594154 O\n0.613315 0.758284 0.966011 O\n0.113315 0.241716 0.533989 O\n0.386685 0.241716 0.033989 O\n0.886685 0.758284 0.466011 O\n0.332997 0.832323 0.608021 F\n0.832997 0.167677 0.891979 F\n0.667003 0.167677 0.391979 F\n0.167003 0.832323 0.108021 F\n0.612368 0.734096 0.541845 F\n0.112368 0.265904 0.958155 F\n0.387632 0.265904 0.458155 F\n0.887632 0.734096 0.041845 F\n0.558651 0.040450 0.717286 F\n0.058651 0.959550 0.782714 F\n0.441349 0.959550 0.282714 F\n0.941349 0.040450 0.217286 F\n",
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{
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"structure_string": "Cr2 In4 S8\n1.0\n0.000000 5.378568 5.378568\n5.378568 0.000000 5.378568\n5.378568 5.378568 0.000000\nCr In S\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.125000 0.625000 0.625000 In\n0.625000 0.125000 0.625000 In\n0.625000 0.625000 0.125000 In\n0.625000 0.625000 0.625000 In\n0.865769 0.378077 0.378077 S\n0.378077 0.865769 0.378077 S\n0.378077 0.378077 0.865769 S\n0.378077 0.378077 0.378077 S\n0.384231 0.871923 0.871923 S\n0.871923 0.384231 0.871923 S\n0.871923 0.871923 0.384231 S\n0.871923 0.871923 0.871923 S\n",
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{
"id": "mp-1219120",
"created_at": "2022-09-04T14:48:23.200445Z",
"structure_string": "Sm2 H36 Br6 O36\n1.0\n5.978302 -10.354722 0.000000\n5.978302 10.354722 0.000000\n0.000000 0.000000 6.809432\nSm H Br O\n2 36 6 36\ndirect\n0.666667 0.333333 0.750021 Sm\n0.333333 0.666667 0.250021 Sm\n0.748641 0.116441 0.751996 H\n0.367799 0.251359 0.751996 H\n0.883559 0.632201 0.751996 H\n0.367799 0.116441 0.751996 H\n0.883559 0.251359 0.751996 H\n0.748641 0.632201 0.751996 H\n0.251359 0.883559 0.251996 H\n0.632201 0.748641 0.251996 H\n0.116441 0.367799 0.251996 H\n0.632201 0.883559 0.251996 H\n0.116441 0.748641 0.251996 H\n0.251359 0.367799 0.251996 H\n0.630388 0.502010 0.066621 H\n0.871622 0.369612 0.066621 H\n0.497990 0.128378 0.066621 H\n0.871622 0.502010 0.066621 H\n0.497990 0.369612 0.066621 H\n0.630388 0.128378 0.066621 H\n0.369830 0.498078 0.933362 H\n0.128248 0.630170 0.933362 H\n0.501922 0.871752 0.933362 H\n0.128248 0.498078 0.933362 H\n0.501922 0.630170 0.933362 H\n0.369830 0.871752 0.933362 H\n0.369612 0.497990 0.566621 H\n0.128378 0.630388 0.566621 H\n0.502010 0.871622 0.566621 H\n0.128378 0.497990 0.566621 H\n0.502010 0.630388 0.566621 H\n0.369612 0.871622 0.566621 H\n0.630170 0.501922 0.433362 H\n0.871752 0.369830 0.433362 H\n0.498078 0.128248 0.433362 H\n0.871752 0.501922 0.433362 H\n0.498078 0.369830 0.433362 H\n0.630170 0.128248 0.433362 H\n0.868985 0.737970 0.257824 Br\n0.868985 0.131015 0.257824 Br\n0.262030 0.131015 0.257824 Br\n0.131015 0.262030 0.757824 Br\n0.131015 0.868985 0.757824 Br\n0.737970 0.868985 0.757824 Br\n0.579228 0.158457 0.993508 O\n0.579228 0.420772 0.993508 O\n0.841543 0.420772 0.993508 O\n0.420761 0.841522 0.006325 O\n0.420761 0.579239 0.006325 O\n0.158478 0.579239 0.006325 O\n0.420772 0.841543 0.493508 O\n0.420772 0.579228 0.493508 O\n0.158457 0.579228 0.493508 O\n0.579239 0.158478 0.506325 O\n0.579239 0.420761 0.506325 O\n0.841522 0.420761 0.506325 O\n0.788730 0.577460 0.746021 O\n0.788730 0.211270 0.746021 O\n0.422540 0.211270 0.746021 O\n0.211270 0.422540 0.246021 O\n0.211270 0.788730 0.246021 O\n0.577460 0.788730 0.246021 O\n0.931938 0.636754 0.249864 O\n0.704815 0.068062 0.249864 O\n0.363246 0.295185 0.249864 O\n0.704815 0.636754 0.249864 O\n0.363246 0.068062 0.249864 O\n0.931938 0.295185 0.249864 O\n0.068062 0.363246 0.749864 O\n0.295185 0.931938 0.749864 O\n0.636754 0.704815 0.749864 O\n0.295185 0.363246 0.749864 O\n0.636754 0.931938 0.749864 O\n0.068062 0.704815 0.749864 O\n0.907070 0.814140 0.044129 O\n0.907070 0.092930 0.044129 O\n0.185860 0.092930 0.044129 O\n0.092930 0.185860 0.544129 O\n0.092930 0.907070 0.544129 O\n0.814140 0.907070 0.544129 O\n",
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{
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"structure_string": "K1 La1 S2\n1.0\n7.467456 -2.149576 0.000000\n7.467456 2.149576 0.000000\n6.848681 0.000000 3.671395\nK La S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 La\n0.735811 0.735811 0.735811 S\n0.264189 0.264189 0.264189 S\n",
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{
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"elements": [
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],
"chemical_system": "Ba-Mg-W",
"density": 2.8948345293887803,
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"volume": 379.41442505406684,
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"formula_full": "Ba1 Mg14 W1",
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"updated_at": "2021-11-28T01:38:59.220000Z",
"spacegroup": 38
},
{
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"created_at": "2022-09-04T14:48:23.212054Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.641931 0.000000 0.000000\n0.099848 5.567749 0.000000\n0.050467 0.460221 7.621427\nMn O F\n6 8 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.536819 0.843113 0.659222 Mn\n0.463181 0.156887 0.340778 Mn\n0.005192 0.327788 0.682763 Mn\n0.994808 0.672212 0.317237 Mn\n0.000000 0.000000 0.000000 Mn\n0.811181 0.043587 0.773932 O\n0.809737 0.704086 0.094568 O\n0.695216 0.537827 0.764626 O\n0.693906 0.872557 0.428628 O\n0.306094 0.127443 0.571372 O\n0.304784 0.462173 0.235374 O\n0.188819 0.956413 0.226068 O\n0.190263 0.295914 0.905432 O\n0.810345 0.368626 0.439018 F\n0.688469 0.192358 0.119176 F\n0.311531 0.807642 0.880824 F\n0.189655 0.631374 0.560982 F\n",
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"density": 4.498463472623498,
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"formula_full": "Mn6 O8 F4",
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{
"id": "mp-1319495",
"created_at": "2022-09-04T14:48:23.218463Z",
"structure_string": "Sr6 Ca2 V8 O24\n1.0\n-3.895963 3.912657 3.895012\n-3.896017 -3.912001 -3.895735\n-3.894614 -7.807151 7.773214\nSr Ca V O\n6 2 8 24\ndirect\n0.249988 0.749955 0.500014 Sr\n0.750004 0.250012 0.500017 Sr\n0.124081 0.123766 0.249449 Sr\n0.626355 0.626026 0.249548 Sr\n0.873660 0.873989 0.750473 Sr\n0.375901 0.376226 0.750514 Sr\n0.501144 0.001153 0.000020 Ca\n0.998803 0.498805 0.000049 Ca\n0.500403 0.500168 0.999571 V\n0.999644 0.999877 0.000360 V\n0.371239 0.875061 0.754025 V\n0.875623 0.371590 0.753156 V\n0.624460 0.128473 0.246725 V\n0.128796 0.624949 0.245944 V\n0.249950 0.249959 0.499965 V\n0.750005 0.750049 0.499972 V\n0.996481 0.996470 0.499986 O\n0.503487 0.503480 0.500043 O\n0.250005 0.250038 0.999981 O\n0.750015 0.749985 0.000019 O\n0.120262 0.623724 0.756937 O\n0.619731 0.123039 0.756988 O\n0.379693 0.876290 0.243114 O\n0.880285 0.376890 0.243059 O\n0.313914 0.057472 0.628712 O\n0.809354 0.568757 0.622035 O\n0.690635 0.931290 0.377954 O\n0.186069 0.442531 0.371250 O\n0.447646 0.182890 0.369272 O\n0.933985 0.688368 0.377520 O\n0.566035 0.811641 0.622454 O\n0.052375 0.317075 0.630695 O\n0.437847 0.689871 0.872890 O\n0.932432 0.187455 0.880764 O\n0.567610 0.312581 0.119304 O\n0.062153 0.810067 0.127119 O\n0.186278 0.934076 0.880110 O\n0.688471 0.439038 0.872947 O\n0.811439 0.060850 0.127137 O\n0.313743 0.566067 0.119909 O\n",
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],
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"formula_full": "Sr6 Ca2 V8 O24",
"formula_reduced": "Sr3CaV4O12",
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"updated_at": "2021-11-28T01:39:05.423000Z",
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}
]
}