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{
"id": "mp-1189379",
"created_at": "2022-09-04T14:39:34.934371Z",
"structure_string": "Tb4 Ni14\n1.0\n12.081909 -2.464556 0.000000\n12.081909 2.464556 0.000000\n11.579171 0.000000 4.239028\nTb Ni\n4 14\ndirect\n0.949082 0.949082 0.949082 Tb\n0.050918 0.050918 0.050918 Tb\n0.852300 0.852300 0.852300 Tb\n0.147700 0.147700 0.147700 Tb\n0.390109 0.890121 0.390109 Ni\n0.390109 0.390109 0.890121 Ni\n0.890121 0.390109 0.390109 Ni\n0.609891 0.109879 0.609891 Ni\n0.609891 0.609891 0.109879 Ni\n0.109879 0.609891 0.609891 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.721991 0.721991 0.721991 Ni\n0.278009 0.278009 0.278009 Ni\n0.611947 0.611947 0.611947 Ni\n0.388053 0.388053 0.388053 Ni\n0.500000 0.500000 0.500000 Ni\n",
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{
"id": "mp-1177382",
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"structure_string": "Li4 Mn1 Co5 O12\n1.0\n4.267572 2.516485 0.000000\n-4.267572 2.516485 0.000000\n0.000000 0.231579 10.012177\nLi Mn Co O\n4 1 5 12\ndirect\n0.348047 0.838987 0.751825 Li\n0.161013 0.651953 0.248175 Li\n0.838987 0.348047 0.751825 Li\n0.651953 0.161013 0.248175 Li\n0.000000 0.000000 0.000000 Mn\n0.163115 0.836885 0.500000 Co\n0.664567 0.335433 0.000000 Co\n0.335433 0.664567 0.000000 Co\n0.836885 0.163115 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.332396 0.993314 0.102761 O\n0.006686 0.667604 0.897239 O\n0.491101 0.814773 0.393024 O\n0.814773 0.491101 0.393024 O\n0.185227 0.508899 0.606976 O\n0.814378 0.814378 0.601167 O\n0.508899 0.185227 0.606976 O\n0.993314 0.332396 0.102761 O\n0.664424 0.664424 0.098330 O\n0.667604 0.006686 0.897239 O\n0.335576 0.335576 0.901670 O\n0.185622 0.185622 0.398833 O\n",
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"formula_full": "Li4 Mn1 Co5 O12",
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"updated_at": "2021-11-28T01:34:32.994000Z",
"spacegroup": 12
},
{
"id": "mp-867987",
"created_at": "2022-09-04T14:39:35.001870Z",
"structure_string": "Mn2 S4 N4 O28\n1.0\n10.931971 0.000000 0.000000\n0.000000 6.934431 0.000000\n0.000000 4.404069 9.091319\nMn S N O\n2 4 4 28\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.375266 0.331280 0.922466 S\n0.875266 0.668720 0.577534 S\n0.624734 0.668720 0.077534 S\n0.124734 0.331280 0.422466 S\n0.239157 0.791177 0.603735 N\n0.739157 0.208823 0.896265 N\n0.760843 0.208823 0.396265 N\n0.260843 0.791177 0.103735 N\n0.247231 0.381383 0.897265 O\n0.747231 0.618617 0.602735 O\n0.752769 0.618617 0.102735 O\n0.252769 0.381383 0.397265 O\n0.424999 0.264695 0.067302 O\n0.924999 0.735305 0.432698 O\n0.575001 0.735305 0.932698 O\n0.075001 0.264695 0.567302 O\n0.453300 0.354416 0.802375 O\n0.953300 0.645584 0.697625 O\n0.546700 0.645584 0.197625 O\n0.046700 0.354416 0.302375 O\n0.309478 0.893046 0.984133 O\n0.809478 0.106954 0.515867 O\n0.690522 0.106954 0.015867 O\n0.190522 0.893046 0.484133 O\n0.342043 0.837167 0.639022 O\n0.842043 0.162833 0.860978 O\n0.657957 0.162833 0.360978 O\n0.157957 0.837167 0.139022 O\n0.440823 0.865811 0.371397 O\n0.940823 0.134189 0.128603 O\n0.559177 0.134189 0.628603 O\n0.059177 0.865811 0.871397 O\n0.520814 0.737583 0.469330 O\n0.020814 0.262417 0.030670 O\n0.479186 0.262417 0.530670 O\n0.979186 0.737583 0.969330 O\n",
"nsites": 38,
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"elements": [
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],
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"volume": 689.185606646069,
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"formula_full": "Mn2 S4 N4 O28",
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"spacegroup": 14
},
{
"id": "mp-532317",
"created_at": "2022-09-04T14:39:34.971054Z",
"structure_string": "Al20 Ni10 O40\n1.0\n2.887749 4.973535 0.000000\n-2.887749 4.973535 0.000000\n0.000000 3.473870 23.288335\nAl Ni O\n20 10 40\ndirect\n0.928776 0.928776 0.227643 Al\n0.295030 0.799462 0.100583 Al\n0.799462 0.295030 0.100583 Al\n0.529849 0.529849 0.426620 Al\n0.899625 0.400132 0.300050 Al\n0.269016 0.269016 0.173132 Al\n0.400132 0.899625 0.300050 Al\n0.130160 0.130160 0.626300 Al\n0.500106 0.000284 0.499860 Al\n0.870322 0.870322 0.373382 Al\n0.000284 0.500106 0.499860 Al\n0.732604 0.732604 0.824960 Al\n0.100605 0.600644 0.699546 Al\n0.470530 0.470530 0.573085 Al\n0.600644 0.100605 0.699546 Al\n0.699304 0.203939 0.899189 Al\n0.070974 0.070974 0.773216 Al\n0.998662 0.998662 0.002279 Al\n0.203939 0.699304 0.899189 Al\n0.668635 0.668635 0.975803 Al\n0.325694 0.325694 0.025496 Ni\n0.599370 0.599370 0.199735 Ni\n0.799219 0.799219 0.100520 Ni\n0.199996 0.199996 0.400022 Ni\n0.399856 0.399856 0.300148 Ni\n0.800089 0.800089 0.599876 Ni\n0.000093 0.000093 0.499953 Ni\n0.401133 0.401133 0.799979 Ni\n0.600253 0.600253 0.699709 Ni\n0.202639 0.202639 0.899390 Ni\n0.686698 0.146270 0.050896 O\n0.146270 0.686698 0.050896 O\n0.955643 0.955643 0.150027 O\n0.128175 0.128175 0.053553 O\n0.258117 0.760810 0.253559 O\n0.451334 0.451334 0.145243 O\n0.639762 0.639762 0.053222 O\n0.760810 0.258117 0.253559 O\n0.436028 0.942444 0.146381 O\n0.558433 0.558433 0.348061 O\n0.745345 0.745345 0.254290 O\n0.942444 0.436028 0.146381 O\n0.857404 0.361720 0.453369 O\n0.053455 0.053455 0.346400 O\n0.241156 0.241156 0.252238 O\n0.361720 0.857404 0.453369 O\n0.038226 0.542349 0.346993 O\n0.158866 0.158866 0.547669 O\n0.346605 0.346605 0.453938 O\n0.542349 0.038226 0.346993 O\n0.457338 0.962077 0.653146 O\n0.653610 0.653610 0.546316 O\n0.962077 0.457338 0.653146 O\n0.841331 0.841331 0.452372 O\n0.638467 0.142363 0.546880 O\n0.759854 0.759854 0.746637 O\n0.947158 0.947158 0.653589 O\n0.142363 0.638467 0.546880 O\n0.254069 0.254069 0.746351 O\n0.055690 0.565579 0.852705 O\n0.441470 0.441470 0.652190 O\n0.238697 0.742838 0.746843 O\n0.565579 0.055690 0.852705 O\n0.366483 0.366483 0.940459 O\n0.552346 0.552346 0.852946 O\n0.742838 0.238697 0.746843 O\n0.858610 0.858610 0.949683 O\n0.042039 0.042039 0.852652 O\n0.848871 0.329003 0.950444 O\n0.329003 0.848871 0.950444 O\n",
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},
{
"id": "mp-1007862",
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"structure_string": "Fe3 Ni1\n1.0\n-1.763706 1.763706 3.730619\n1.763706 -1.763706 3.730619\n1.763706 1.763706 -3.730619\nFe Ni\n3 1\ndirect\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n",
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"spacegroup": 139
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{
"id": "mp-774692",
"created_at": "2022-09-04T14:39:34.991197Z",
"structure_string": "Na15 Mn6 P6 C6 O42\n1.0\n6.732050 0.000000 0.000000\n-0.027787 9.013724 0.000000\n-0.047118 -0.210132 15.718382\nNa Mn P C O\n15 6 6 6 42\ndirect\n0.240911 0.915085 0.583161 Na\n0.240382 0.913496 0.260281 Na\n0.007419 0.743690 0.751785 Na\n0.493483 0.743376 0.750424 Na\n0.489632 0.736605 0.418035 Na\n0.003022 0.757627 0.077962 Na\n0.498654 0.758142 0.077147 Na\n0.501424 0.241335 0.922361 Na\n0.998545 0.241676 0.922337 Na\n0.502745 0.260265 0.583231 Na\n0.996573 0.260977 0.584089 Na\n0.507940 0.256975 0.247780 Na\n0.991340 0.256753 0.246535 Na\n0.750578 0.083434 0.746988 Na\n0.759311 0.070681 0.414420 Na\n0.750372 0.642974 0.926229 Mn\n0.755647 0.646744 0.588889 Mn\n0.757669 0.646682 0.264389 Mn\n0.250046 0.356727 0.740685 Mn\n0.247757 0.357584 0.405945 Mn\n0.252104 0.356667 0.073128 Mn\n0.250267 0.580698 0.902220 P\n0.251787 0.583765 0.568845 P\n0.251677 0.582208 0.230133 P\n0.749989 0.418080 0.766855 P\n0.747396 0.412530 0.430574 P\n0.751155 0.423309 0.100175 P\n0.750139 0.929619 0.906598 C\n0.745443 0.942734 0.579055 C\n0.746598 0.932570 0.243813 C\n0.250005 0.064478 0.753512 C\n0.253776 0.064477 0.422927 C\n0.250223 0.070711 0.094222 C\n0.251053 0.922907 0.754405 O\n0.267205 0.923664 0.425566 O\n0.250794 0.930279 0.096406 O\n0.750930 0.856129 0.978285 O\n0.754389 0.879660 0.653375 O\n0.742389 0.858689 0.316258 O\n0.750059 0.848001 0.837475 O\n0.734166 0.860140 0.511184 O\n0.750629 0.851992 0.175376 O\n0.062062 0.669148 0.929192 O\n0.439102 0.669401 0.929380 O\n0.068821 0.676970 0.595893 O\n0.436192 0.679008 0.594180 O\n0.065946 0.678605 0.247686 O\n0.435027 0.677744 0.255832 O\n0.249985 0.562540 0.802957 O\n0.750121 0.570149 0.723233 O\n0.256855 0.554374 0.470845 O\n0.739607 0.565257 0.387766 O\n0.258860 0.552979 0.130434 O\n0.750682 0.576628 0.057321 O\n0.250186 0.423940 0.942720 O\n0.750028 0.444900 0.866945 O\n0.251459 0.430262 0.612768 O\n0.750345 0.433993 0.529372 O\n0.247989 0.430821 0.274759 O\n0.751149 0.447599 0.200244 O\n0.566611 0.321400 0.743185 O\n0.933067 0.322003 0.743426 O\n0.563884 0.314436 0.405321 O\n0.932740 0.320091 0.403257 O\n0.563537 0.331043 0.075549 O\n0.939131 0.332598 0.075803 O\n0.249712 0.148445 0.821277 O\n0.245632 0.147050 0.491870 O\n0.249979 0.152521 0.163218 O\n0.249086 0.132733 0.679551 O\n0.246544 0.132485 0.349277 O\n0.249836 0.144999 0.022456 O\n0.749575 0.070521 0.904176 O\n0.749780 0.086402 0.573801 O\n0.748749 0.073966 0.247046 O\n",
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"volume": 953.8046334838455,
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"formula_full": "Na15 Mn6 P6 C6 O42",
"formula_reduced": "Na5Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -545.58209231,
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{
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"created_at": "2022-09-04T14:39:35.129502Z",
"structure_string": "Zr2 Nb2 Fe8\n1.0\n-2.462139 -4.264831 0.000139\n-2.462139 4.264831 -0.000139\n0.000000 0.000255 -8.046502\nZr Nb Fe\n2 2 8\ndirect\n0.333390 0.666610 0.066580 Zr\n0.666610 0.333390 0.933420 Zr\n0.666666 0.333334 0.555765 Nb\n0.333334 0.666666 0.444235 Nb\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.167729 0.335600 0.744596 Fe\n0.167786 0.832214 0.744433 Fe\n0.664400 0.832271 0.744596 Fe\n0.832271 0.664400 0.255404 Fe\n0.832214 0.167786 0.255567 Fe\n0.335600 0.167729 0.255404 Fe\n",
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{
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{
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}