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{
"id": "mp-1013842",
"created_at": "2022-09-04T14:40:05.274053Z",
"structure_string": "Na12 Mn8 Ge12 O48\n1.0\n10.019062 0.001092 -3.542597\n-5.007798 8.673171 -3.540367\n-0.000998 0.001000 10.624966\nNa Mn Ge O\n12 8 12 48\ndirect\n0.625029 0.250036 0.874901 Na\n0.875217 0.750432 0.625041 Na\n0.749967 0.625007 0.875073 Na\n0.249764 0.875191 0.624762 Na\n0.874996 0.625372 0.250134 Na\n0.625149 0.875084 0.750125 Na\n0.374971 0.749964 0.125098 Na\n0.124783 0.249568 0.374958 Na\n0.250033 0.374993 0.124927 Na\n0.750236 0.124810 0.375238 Na\n0.125004 0.374628 0.749866 Na\n0.374850 0.124916 0.249874 Na\n0.500001 0.500000 0.499999 Mn\n0.500002 0.500002 0.000000 Mn\n0.499999 0.000000 0.500001 Mn\n0.000000 0.499999 0.499998 Mn\n0.500001 0.000001 0.000001 Mn\n0.000000 0.000001 0.500001 Mn\n0.000000 0.500001 0.000000 Mn\n0.000001 0.999999 0.999999 Mn\n0.874933 0.124838 0.749770 Ge\n0.125064 0.875157 0.250229 Ge\n0.250074 0.624990 0.375003 Ge\n0.124993 0.749981 0.875048 Ge\n0.750194 0.875080 0.125158 Ge\n0.374825 0.249877 0.625013 Ge\n0.625178 0.750124 0.374990 Ge\n0.875004 0.250020 0.124954 Ge\n0.249807 0.124918 0.874842 Ge\n0.749925 0.375011 0.624997 Ge\n0.374946 0.624997 0.750030 Ge\n0.625052 0.375001 0.249972 Ge\n0.805384 0.417901 0.818690 O\n0.081084 0.886660 0.400252 O\n0.681312 0.099187 0.986693 O\n0.694741 0.513543 0.612579 O\n0.694462 0.681136 0.081528 O\n0.513266 0.612464 0.694620 O\n0.099336 0.612652 0.418043 O\n0.612048 0.694617 0.513228 O\n0.400832 0.818740 0.513536 O\n0.887042 0.986633 0.805490 O\n0.986471 0.805214 0.887246 O\n0.081987 0.694609 0.681271 O\n0.612752 0.417952 0.099192 O\n0.513218 0.400888 0.818717 O\n0.681293 0.082155 0.694493 O\n0.418466 0.099587 0.612958 O\n0.818751 0.513352 0.400682 O\n0.401146 0.082556 0.887953 O\n0.099790 0.986434 0.680883 O\n0.599168 0.181258 0.486462 O\n0.986851 0.681403 0.098911 O\n0.819112 0.805569 0.418924 O\n0.887422 0.400973 0.082198 O\n0.805521 0.887653 0.986769 O\n0.194616 0.582098 0.181308 O\n0.918914 0.113339 0.599749 O\n0.318690 0.900814 0.013309 O\n0.305259 0.486457 0.387421 O\n0.305541 0.318867 0.918475 O\n0.486733 0.387536 0.305380 O\n0.900664 0.387346 0.581954 O\n0.387952 0.305386 0.486773 O\n0.194478 0.112348 0.013230 O\n0.112577 0.599030 0.917802 O\n0.180889 0.194432 0.581077 O\n0.582227 0.181226 0.194810 O\n0.013150 0.318597 0.901090 O\n0.900212 0.013569 0.319118 O\n0.598855 0.917445 0.112047 O\n0.181247 0.486647 0.599317 O\n0.581533 0.900414 0.387042 O\n0.318707 0.917844 0.305507 O\n0.486782 0.599112 0.181284 O\n0.387247 0.582047 0.900808 O\n0.918012 0.305390 0.318726 O\n0.013531 0.194786 0.112754 O\n0.112957 0.013365 0.194508 O\n0.417773 0.818774 0.805190 O\n",
"nsites": 80,
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"elements": [
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],
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"formula_full": "Na12 Mn8 Ge12 O48",
"formula_reduced": "Na3Mn2(GeO4)3",
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"updated_at": "2021-11-28T01:34:46.447000Z",
"spacegroup": 230
},
{
"id": "mp-1262698",
"created_at": "2022-09-04T14:40:05.305143Z",
"structure_string": "Al1 Fe3 F15\n1.0\n9.018819 0.083468 3.422898\n1.273420 5.016414 1.344490\n-0.197042 -0.076534 5.343124\nAl Fe F\n1 3 15\ndirect\n0.833333 0.500000 0.500000 Al\n0.012315 0.000680 0.000680 Fe\n0.333333 0.000000 0.000000 Fe\n0.654352 0.999320 0.999320 Fe\n0.170372 0.821949 0.189755 F\n0.496295 0.810245 0.178051 F\n0.833333 0.802135 0.197865 F\n0.170372 0.189755 0.821949 F\n0.496295 0.178051 0.810245 F\n0.833333 0.197865 0.802135 F\n0.257631 0.229056 0.229056 F\n0.582177 0.234010 0.234010 F\n0.912226 0.255694 0.255694 F\n0.084490 0.765990 0.765990 F\n0.409035 0.770944 0.770944 F\n0.754441 0.744306 0.744306 F\n0.011981 0.497296 0.497296 F\n0.333333 0.500000 0.500000 F\n0.654686 0.502704 0.502704 F\n",
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},
{
"id": "mp-770649",
"created_at": "2022-09-04T14:40:07.569461Z",
"structure_string": "Li5 Nb1 O5\n1.0\n2.032607 4.931765 0.000000\n-2.032607 4.931765 0.000000\n0.000000 1.905607 5.567991\nLi Nb O\n5 1 5\ndirect\n0.712955 0.712955 0.656329 Li\n0.692283 0.692283 0.140247 Li\n0.000000 0.000000 0.500000 Li\n0.307717 0.307717 0.859753 Li\n0.287045 0.287045 0.343671 Li\n0.000000 0.000000 0.000000 Nb\n0.854961 0.854961 0.825311 O\n0.842078 0.842078 0.317493 O\n0.500000 0.500000 0.000000 O\n0.157922 0.157922 0.682507 O\n0.145039 0.145039 0.174689 O\n",
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],
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"formula_full": "Li5 Nb1 O5",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:40:08.298727Z",
"structure_string": "U2 As1 N2\n1.0\n1.911289 -3.310449 0.000000\n1.911289 3.310449 0.000000\n0.000000 0.000000 6.750346\nU As N\n2 1 2\ndirect\n0.666667 0.333333 0.710202 U\n0.333333 0.666667 0.289798 U\n0.000000 0.000000 0.000000 As\n0.333333 0.666667 0.625919 N\n0.666667 0.333333 0.374081 N\n",
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{
"id": "mp-17541",
"created_at": "2022-09-04T14:40:08.309219Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.963366 0.000000 0.000000\n0.000000 7.548484 0.000000\n0.000000 0.000000 10.118539\nK Sr V O\n4 4 4 16\ndirect\n0.250000 0.157529 0.924011 K\n0.750000 0.842471 0.075989 K\n0.250000 0.657529 0.575989 K\n0.750000 0.342471 0.424011 K\n0.250000 0.003418 0.298264 Sr\n0.750000 0.996582 0.701736 Sr\n0.250000 0.503418 0.201736 Sr\n0.750000 0.496582 0.798264 Sr\n0.250000 0.722141 0.915838 V\n0.750000 0.277859 0.084162 V\n0.250000 0.222141 0.584162 V\n0.750000 0.777859 0.415838 V\n0.508319 0.219828 0.172780 O\n0.008319 0.780172 0.827220 O\n0.991681 0.719828 0.327220 O\n0.491681 0.280172 0.672780 O\n0.491681 0.780172 0.827220 O\n0.991681 0.219828 0.172780 O\n0.008319 0.280172 0.672780 O\n0.508319 0.719828 0.327220 O\n0.250000 0.824203 0.071276 O\n0.750000 0.175797 0.928724 O\n0.250000 0.324203 0.428724 O\n0.750000 0.675797 0.571276 O\n0.750000 0.502584 0.056188 O\n0.250000 0.497416 0.943812 O\n0.750000 0.002584 0.443812 O\n0.250000 0.997416 0.556188 O\n",
"nsites": 28,
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"elements": [
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"Sr",
"V",
"O"
],
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"density": 3.5240346806795646,
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"volume": 455.47968711318225,
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"formula_full": "K4 Sr4 V4 O16",
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"spacegroup": 62
},
{
"id": "mp-676752",
"created_at": "2022-09-04T14:40:08.461005Z",
"structure_string": "Li20 Fe10 Cl40\n1.0\n7.270667 0.000000 0.000000\n3.628297 6.441935 0.000000\n3.014692 2.511479 29.980363\nLi Fe Cl\n20 10 40\ndirect\n0.445021 0.609885 0.009207 Li\n0.001444 0.491157 0.006054 Li\n0.807868 0.303736 0.100622 Li\n0.106070 0.089077 0.202016 Li\n0.399121 0.898512 0.300530 Li\n0.706048 0.688999 0.406246 Li\n0.990176 0.011474 0.499461 Li\n0.003365 0.496876 0.498151 Li\n0.106914 0.629748 0.677310 Li\n0.273225 0.359587 0.594205 Li\n0.602799 0.592277 0.695563 Li\n0.606264 0.107671 0.696662 Li\n0.805100 0.290347 0.595173 Li\n0.705677 0.218626 0.892249 Li\n0.874820 0.962152 0.798632 Li\n0.190402 0.208214 0.907332 Li\n0.204969 0.697019 0.902061 Li\n0.484313 0.935010 0.571743 Li\n0.083874 0.512623 0.782235 Li\n0.683787 0.117153 0.984475 Li\n0.805049 0.791503 0.105785 Fe\n0.284872 0.308585 0.103777 Fe\n0.602115 0.097538 0.201235 Fe\n0.897996 0.901852 0.299299 Fe\n0.204144 0.689046 0.399265 Fe\n0.399648 0.399206 0.299846 Fe\n0.488553 0.504429 0.493799 Fe\n0.097897 0.097035 0.699446 Fe\n0.414760 0.884780 0.804047 Fe\n0.682924 0.709595 0.895887 Fe\n0.672682 0.651174 0.053037 Cl\n0.954915 0.451220 0.149786 Cl\n0.142334 0.647950 0.055073 Cl\n0.150977 0.174619 0.055192 Cl\n0.457286 0.417451 0.150030 Cl\n0.272932 0.242938 0.248710 Cl\n0.454548 0.957102 0.150401 Cl\n0.560266 0.056464 0.343587 Cl\n0.747559 0.243784 0.250548 Cl\n0.645307 0.147103 0.059236 Cl\n0.930633 0.955053 0.152732 Cl\n0.741932 0.779544 0.250743 Cl\n0.060305 0.013805 0.347796 Cl\n0.880694 0.827797 0.444832 Cl\n0.054479 0.555434 0.346330 Cl\n0.238901 0.747371 0.253678 Cl\n0.165548 0.655794 0.542041 Cl\n0.355029 0.834890 0.446294 Cl\n0.527346 0.553762 0.349474 Cl\n0.342654 0.366375 0.447887 Cl\n0.661205 0.615145 0.545811 Cl\n0.450886 0.440564 0.651111 Cl\n0.632326 0.164185 0.549400 Cl\n0.825881 0.356979 0.453391 Cl\n0.957186 0.439765 0.653272 Cl\n0.770383 0.249390 0.745103 Cl\n0.140990 0.168814 0.551918 Cl\n0.938316 0.974473 0.651798 Cl\n0.273981 0.203303 0.749832 Cl\n0.068606 0.038350 0.849168 Cl\n0.366437 0.847076 0.944463 Cl\n0.238946 0.749958 0.751857 Cl\n0.553724 0.048000 0.849767 Cl\n0.435375 0.948433 0.655679 Cl\n0.544134 0.559039 0.849628 Cl\n0.747548 0.757606 0.754428 Cl\n0.861751 0.826210 0.945256 Cl\n0.840818 0.350029 0.948204 Cl\n0.033486 0.555754 0.856877 Cl\n0.367478 0.348583 0.948320 Cl\n",
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"spacegroup": 1
},
{
"id": "mp-1102696",
"created_at": "2022-09-04T14:40:08.865531Z",
"structure_string": "Ni1 N6 O4\n1.0\n0.035897 0.000000 5.676729\n-4.627276 3.227904 2.124031\n-4.627276 -3.227904 2.124031\nNi N O\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.005569 0.208722 0.208722 N\n0.994431 0.791278 0.791278 N\n0.757797 0.259764 0.856646 N\n0.757797 0.856646 0.259764 N\n0.242203 0.740236 0.143354 N\n0.242203 0.143354 0.740236 N\n0.793546 0.307406 0.307406 O\n0.206454 0.692594 0.692594 O\n0.220631 0.206165 0.206165 O\n0.779369 0.793835 0.793835 O\n",
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{
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"structure_string": "Cs4 Tb4 P8 O28\n1.0\n-7.749340 0.000000 2.013237\n0.066924 0.000000 -8.924604\n0.000000 -11.117313 0.000000\nCs Tb P O\n4 4 8 28\ndirect\n0.811936 0.944407 0.314796 Cs\n0.188064 0.055593 0.685204 Cs\n0.188064 0.555593 0.814796 Cs\n0.811936 0.444407 0.185204 Cs\n0.762016 0.742739 0.900844 Tb\n0.237984 0.257261 0.099156 Tb\n0.237984 0.757261 0.400844 Tb\n0.762016 0.242739 0.599156 Tb\n0.570264 0.810524 0.631852 P\n0.429736 0.189476 0.368148 P\n0.429736 0.689476 0.131852 P\n0.570264 0.310524 0.868148 P\n0.865740 0.674664 0.597929 P\n0.134260 0.325336 0.402071 P\n0.134260 0.825336 0.097929 P\n0.865740 0.174664 0.902071 P\n0.391579 0.767747 0.572856 O\n0.608421 0.232253 0.427144 O\n0.608421 0.732253 0.072857 O\n0.391579 0.267747 0.927144 O\n0.913263 0.738270 0.725265 O\n0.086737 0.261730 0.274735 O\n0.086737 0.761730 0.225265 O\n0.913263 0.238270 0.774735 O\n0.557570 0.765231 0.765076 O\n0.442430 0.234769 0.234924 O\n0.442430 0.734769 0.265076 O\n0.557570 0.265231 0.734924 O\n0.670576 0.978427 0.607391 O\n0.329424 0.021573 0.392609 O\n0.329424 0.521573 0.107391 O\n0.670576 0.478427 0.892609 O\n0.847230 0.001330 0.910577 O\n0.152770 0.998670 0.089423 O\n0.152770 0.498670 0.410577 O\n0.847230 0.501330 0.589423 O\n0.676838 0.700680 0.563554 O\n0.323162 0.299320 0.436446 O\n0.323162 0.799320 0.063554 O\n0.676838 0.200680 0.936446 O\n0.007058 0.731798 0.004320 O\n0.992942 0.268202 0.995680 O\n0.992942 0.768202 0.504320 O\n0.007058 0.231798 0.495680 O\n",
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