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{
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{
"id": "mp-1213192",
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"formula_full": "Dy4 Fe34 C6",
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},
{
"id": "mp-772511",
"created_at": "2022-09-04T14:45:57.592503Z",
"structure_string": "Li8 Co6 Sn10 O32\n1.0\n3.045700 5.343965 0.023216\n-9.159160 5.355600 0.034927\n-0.008460 0.048173 9.871638\nLi Co Sn O\n8 6 10 32\ndirect\n0.507116 0.167024 0.892151 Li\n0.009863 0.666943 0.891327 Li\n0.972161 0.011917 0.985364 Li\n0.470170 0.511498 0.986599 Li\n0.983946 0.002829 0.498129 Li\n0.483248 0.501591 0.498783 Li\n0.502804 0.834294 0.404528 Li\n0.998492 0.330135 0.405151 Li\n0.242743 0.584621 0.215146 Co\n0.254851 0.409993 0.717847 Co\n0.500388 0.668455 0.710351 Co\n0.745900 0.086325 0.215586 Co\n0.747079 0.910361 0.714160 Co\n0.000088 0.167846 0.710455 Co\n0.497453 0.331546 0.215803 Sn\n0.003293 0.830774 0.212724 Sn\n0.504029 0.163498 0.495565 Sn\n0.008451 0.660574 0.495965 Sn\n0.256056 0.084699 0.214642 Sn\n0.752054 0.584258 0.214606 Sn\n0.258464 0.915481 0.714064 Sn\n0.757811 0.414271 0.714286 Sn\n0.508924 0.832504 0.983854 Sn\n0.011615 0.332646 0.985942 Sn\n0.499655 0.334980 0.598024 O\n0.003865 0.834650 0.595362 O\n0.269596 0.243090 0.344564 O\n0.777223 0.740756 0.344048 O\n0.495673 0.171125 0.099974 O\n0.013633 0.661141 0.106231 O\n0.002737 0.997939 0.313043 O\n0.482757 0.506121 0.311139 O\n0.997588 0.009270 0.801102 O\n0.500516 0.497410 0.806649 O\n0.231687 0.085099 0.596231 O\n0.745402 0.573651 0.585659 O\n0.719376 0.247459 0.346522 O\n0.229486 0.730382 0.334779 O\n0.495288 0.016961 0.345216 O\n0.014621 0.516647 0.332582 O\n0.244112 0.920282 0.093373 O\n0.740159 0.420354 0.094716 O\n0.748177 0.075024 0.603034 O\n0.245325 0.569320 0.602885 O\n0.502263 0.985164 0.843868 O\n0.000078 0.483356 0.845270 O\n0.277985 0.761165 0.847995 O\n0.790724 0.252124 0.841800 O\n0.505542 0.837263 0.603454 O\n0.004073 0.321642 0.610288 O\n0.758227 0.914489 0.096482 O\n0.254363 0.427882 0.102176 O\n0.738815 0.767703 0.838609 O\n0.236732 0.266767 0.838868 O\n0.492194 0.661364 0.101438 O\n0.005427 0.165636 0.097265 O\n",
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"formula_full": "Li8 Co6 Sn10 O32",
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"spacegroup": 1
},
{
"id": "mp-1044996",
"created_at": "2022-09-04T14:46:24.727124Z",
"structure_string": "Y4 V12 O24\n1.0\n3.147721 -5.452012 0.000000\n3.147721 5.452012 0.000000\n0.000000 0.000000 15.142867\nY V O\n4 12 24\ndirect\n0.333333 0.666667 0.055315 Y\n0.000000 0.000000 0.370455 Y\n0.666667 0.333333 0.944685 Y\n0.000000 0.000000 0.629545 Y\n0.170006 0.340011 0.832133 V\n0.829994 0.659989 0.167867 V\n0.500000 0.000000 0.500000 V\n0.170006 0.829994 0.832133 V\n0.829994 0.170006 0.167867 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.327148 V\n0.333333 0.666667 0.672852 V\n0.659989 0.829994 0.832133 V\n0.340011 0.170006 0.167867 V\n0.000000 0.500000 0.500000 V\n0.333333 0.666667 0.913257 O\n0.000000 0.000000 0.232178 O\n0.666667 0.333333 0.558533 O\n0.284174 0.142087 0.913267 O\n0.951579 0.475789 0.236809 O\n0.625814 0.812907 0.582000 O\n0.857913 0.715826 0.913267 O\n0.524211 0.048421 0.236809 O\n0.187093 0.374186 0.582000 O\n0.857913 0.142087 0.913267 O\n0.524211 0.475789 0.236809 O\n0.187093 0.812907 0.582000 O\n0.715826 0.857913 0.086733 O\n0.374186 0.187093 0.418000 O\n0.048421 0.524211 0.763191 O\n0.666667 0.333333 0.086743 O\n0.333333 0.666667 0.441467 O\n0.000000 0.000000 0.767822 O\n0.142087 0.284174 0.086733 O\n0.812907 0.625814 0.418000 O\n0.475789 0.951579 0.763191 O\n0.142087 0.857913 0.086733 O\n0.812907 0.187093 0.418000 O\n0.475789 0.524211 0.763191 O\n",
"nsites": 40,
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"elements": [
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"V",
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],
"chemical_system": "O-V-Y",
"density": 4.3160196314509625,
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"formula_full": "Y4 V12 O24",
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"energy": -365.30970777,
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"updated_at": "2021-11-28T01:37:30.560000Z",
"spacegroup": 164
},
{
"id": "mp-766249",
"created_at": "2022-09-04T14:46:24.639332Z",
"structure_string": "Bi24 Br10 O31\n1.0\n8.061874 0.000000 0.000000\n-0.051599 10.577679 0.000000\n-2.050002 -0.086104 15.366541\nBi Br O\n24 10 31\ndirect\n0.678491 0.082691 0.695923 Bi\n0.146931 0.058567 0.691419 Bi\n0.463556 0.067540 0.095007 Bi\n0.983691 0.074272 0.087934 Bi\n0.724826 0.250265 0.931343 Bi\n0.224437 0.207184 0.930128 Bi\n0.610233 0.251477 0.352202 Bi\n0.111672 0.254275 0.352773 Bi\n0.801367 0.386844 0.171789 Bi\n0.299725 0.390083 0.172738 Bi\n0.150530 0.435307 0.591640 Bi\n0.652192 0.448968 0.593919 Bi\n0.856950 0.549367 0.407682 Bi\n0.356881 0.549968 0.408798 Bi\n0.710016 0.611610 0.824521 Bi\n0.213365 0.602148 0.830390 Bi\n0.945731 0.747760 0.652487 Bi\n0.414457 0.750978 0.654123 Bi\n0.764930 0.791091 0.064610 Bi\n0.276884 0.752278 0.066603 Bi\n0.999158 0.898254 0.898349 Bi\n0.517164 0.943025 0.885244 Bi\n0.812656 0.910859 0.312085 Bi\n0.319713 0.910721 0.305987 Bi\n0.881230 0.206135 0.530501 Br\n0.380361 0.199178 0.531018 Br\n0.438866 0.357153 0.756179 Br\n0.939868 0.343236 0.757897 Br\n0.003025 0.499645 0.002633 Br\n0.506112 0.509152 0.998336 Br\n0.068906 0.651992 0.245313 Br\n0.570249 0.657347 0.245841 Br\n0.598645 0.836735 0.467207 Br\n0.099993 0.844729 0.454698 Br\n0.766710 0.977184 0.007474 O\n0.233400 0.028985 0.001202 O\n0.689018 0.089265 0.833732 O\n0.231257 0.052845 0.826199 O\n0.964379 0.154205 0.952246 O\n0.503386 0.140941 0.960222 O\n0.806541 0.106466 0.319474 O\n0.318220 0.106643 0.310619 O\n0.778348 0.230407 0.081433 O\n0.277859 0.235193 0.085726 O\n0.560033 0.305657 0.213922 O\n0.057863 0.302794 0.213452 O\n0.836093 0.372777 0.329184 O\n0.333182 0.374311 0.328808 O\n0.615172 0.464471 0.443297 O\n0.114249 0.458577 0.441384 O\n0.389067 0.528074 0.553451 O\n0.894898 0.533994 0.553333 O\n0.680329 0.629584 0.676877 O\n0.163861 0.611909 0.675340 O\n0.961519 0.706103 0.791817 O\n0.445609 0.688824 0.790904 O\n0.222588 0.765668 0.917533 O\n0.739906 0.782877 0.902745 O\n0.538876 0.919511 0.717519 O\n0.187798 0.861296 0.680647 O\n0.031512 0.842053 0.039763 O\n0.494089 0.861440 0.037338 O\n0.832382 0.925400 0.179230 O\n0.306298 0.915712 0.169741 O\n0.905832 0.974498 0.706438 O\n",
"nsites": 65,
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"elements": [
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"density": 7.996756457847647,
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"volume": 1310.3958489304962,
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"formula_full": "Bi24 Br10 O31",
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"energy": -365.30496895,
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"spacegroup": 1
},
{
"id": "mp-777359",
"created_at": "2022-09-04T14:39:09.396347Z",
"structure_string": "Li5 Mn8 B8 O24\n1.0\n5.335068 0.000000 0.000000\n-0.080040 9.024467 0.000000\n-2.262416 -4.418235 10.395464\nLi Mn B O\n5 8 8 24\ndirect\n0.932210 0.063435 0.165184 Li\n0.872399 0.708003 0.422176 Li\n0.697202 0.849015 0.662910 Li\n0.592601 0.455662 0.922526 Li\n0.353405 0.219663 0.406510 Li\n0.914720 0.711288 0.128412 Mn\n0.847576 0.353027 0.377984 Mn\n0.654204 0.176104 0.625450 Mn\n0.405678 0.233290 0.126966 Mn\n0.604045 0.793666 0.890078 Mn\n0.353105 0.864515 0.383117 Mn\n0.174611 0.624609 0.632719 Mn\n0.084860 0.246523 0.868707 Mn\n0.878425 0.367253 0.112525 B\n0.865865 0.014024 0.377631 B\n0.631146 0.496637 0.617204 B\n0.412767 0.902506 0.146540 B\n0.603830 0.120681 0.863347 B\n0.365732 0.530350 0.386569 B\n0.146653 0.974128 0.623022 B\n0.098441 0.592860 0.870719 B\n0.996386 0.134500 0.363308 O\n0.960727 0.862912 0.351537 O\n0.809772 0.271226 0.174421 O\n0.753079 0.495572 0.109189 O\n0.867645 0.478797 0.583050 O\n0.639443 0.874180 0.099994 O\n0.875329 0.633657 0.918593 O\n0.632747 0.041815 0.418577 O\n0.701545 0.240400 0.827112 O\n0.711653 0.980938 0.842839 O\n0.503497 0.662148 0.393471 O\n0.444083 0.375957 0.335574 O\n0.550712 0.651598 0.665076 O\n0.318521 0.796132 0.196949 O\n0.476526 0.363602 0.594665 O\n0.275826 0.026916 0.142518 O\n0.373025 0.971939 0.573822 O\n0.082272 0.317553 0.051393 O\n0.398519 0.158057 0.922420 O\n0.137849 0.545343 0.434919 O\n0.225654 0.466236 0.876956 O\n0.201461 0.694378 0.818147 O\n0.053460 0.123351 0.680084 O\n0.021327 0.835120 0.610375 O\n",
"nsites": 45,
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"elements": [
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],
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"volume": 500.50151821684904,
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"formula_full": "Li5 Mn8 B8 O24",
"formula_reduced": "Li5Mn8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -365.30189694,
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"spacegroup": 1
},
{
"id": "mp-1661768",
"created_at": "2022-09-04T14:41:05.921183Z",
"structure_string": "Li8 Co6 Sn10 O32\n1.0\n-3.042027 -5.342483 -0.024457\n-6.102788 0.055938 9.871815\n-9.147486 5.353729 0.035725\nLi Co Sn O\n8 6 10 32\ndirect\n0.547247 0.892249 0.220687 Li\n0.044242 0.891214 0.721017 Li\n0.034128 0.985266 0.019455 Li\n0.537905 0.986251 0.518219 Li\n0.270446 0.499050 0.251487 Li\n0.763590 0.498214 0.754134 Li\n0.798785 0.404514 0.129948 Li\n0.296152 0.404058 0.630099 Li\n0.649335 0.215667 0.477082 Co\n0.396445 0.715084 0.050776 Co\n0.639911 0.710452 0.815013 Co\n0.147047 0.215015 0.978396 Co\n0.888944 0.714858 0.554009 Co\n0.142302 0.709718 0.313859 Co\n0.891286 0.212322 0.724899 Sn\n0.394110 0.216262 0.223140 Sn\n0.744311 0.495847 0.414389 Sn\n0.246773 0.495485 0.913463 Sn\n0.140970 0.214182 0.477001 Sn\n0.636361 0.215116 0.977035 Sn\n0.886077 0.714613 0.057558 Sn\n0.385510 0.714798 0.557120 Sn\n0.499751 0.984442 0.840631 Sn\n0.993649 0.985135 0.339328 Sn\n0.698669 0.593416 0.538142 O\n0.201073 0.599837 0.034901 O\n0.051637 0.343965 0.568792 O\n0.557323 0.345263 0.069943 O\n0.932736 0.106405 0.607884 O\n0.454783 0.099805 0.121492 O\n0.360896 0.311854 0.350195 O\n0.841464 0.313015 0.841415 O\n0.100826 0.801140 0.110617 O\n0.601404 0.805638 0.593758 O\n0.970527 0.591622 0.287306 O\n0.460360 0.592616 0.781382 O\n0.603407 0.334118 0.564045 O\n0.106699 0.347219 0.073261 O\n0.819430 0.334453 0.350466 O\n0.331741 0.343151 0.843414 O\n0.211338 0.095012 0.372605 O\n0.710529 0.092740 0.874056 O\n0.449053 0.603619 0.273090 O\n0.953310 0.603243 0.767537 O\n0.577935 0.843608 0.063106 O\n0.077664 0.845212 0.560393 O\n0.796726 0.848202 0.835581 O\n0.288800 0.840855 0.331478 O\n0.693610 0.602906 0.037520 O\n0.191674 0.609292 0.517405 O\n0.694299 0.102864 0.376358 O\n0.193901 0.096160 0.866624 O\n0.338303 0.841810 0.847019 O\n0.843164 0.837888 0.346795 O\n0.945598 0.097235 0.116908 O\n0.457715 0.101699 0.610238 O\n",
"nsites": 56,
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"elements": [
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],
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"volume": 642.8283858109543,
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"formula_full": "Li8 Co6 Sn10 O32",
"formula_reduced": "Li4Co3Sn5O16",
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"energy": -365.29337254,
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"spacegroup": 1
},
{
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