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0.762667 0.456514 H\n0.762667 0.274025 0.956514 H\n0.725975 0.237333 0.543486 H\n0.023064 0.801612 0.050628 H\n0.198388 0.976936 0.449372 H\n0.976936 0.198388 0.949372 H\n0.801612 0.023064 0.550628 H\n0.165510 0.683504 0.994216 H\n0.316496 0.834490 0.505784 H\n0.834490 0.316496 0.005784 H\n0.683504 0.165510 0.494216 H\n0.258219 0.570328 0.164197 H\n0.429672 0.741781 0.335803 H\n0.741781 0.429672 0.835803 H\n0.570328 0.258219 0.664197 H\n0.191085 0.425474 0.203167 H\n0.574526 0.808915 0.296833 H\n0.808915 0.574526 0.796833 H\n0.425474 0.191085 0.703167 H\n0.045391 0.636345 0.185562 H\n0.363655 0.954609 0.314438 H\n0.954609 0.363655 0.814438 H\n0.636345 0.045391 0.685562 H\n0.831541 0.806179 0.145147 H\n0.193821 0.168459 0.354853 H\n0.168459 0.193821 0.854853 H\n0.806179 0.831541 0.645147 H\n0.628039 0.840211 0.159618 H\n0.159789 0.371961 0.340382 H\n0.371961 0.159789 0.840382 H\n0.840211 0.628039 0.659618 H\n0.730049 0.856795 0.085166 H\n0.143205 0.269951 0.414834 H\n0.269951 0.143205 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H\n0.236506 0.987301 0.193992 H\n0.012699 0.763494 0.306008 H\n0.763494 0.012699 0.806008 H\n0.987301 0.236506 0.693992 H\n0.842870 0.193343 0.170983 H\n0.806657 0.157130 0.329017 H\n0.157130 0.806657 0.829017 H\n0.193343 0.842870 0.670983 H\n0.006378 0.008238 0.147292 H\n0.991762 0.993622 0.352708 H\n0.993622 0.991762 0.852708 H\n0.008238 0.006378 0.647292 H\n0.884233 0.169279 0.095695 H\n0.830721 0.115767 0.404305 H\n0.115767 0.830721 0.904305 H\n0.169279 0.884233 0.595695 H\n0.361816 0.115210 0.039288 H\n0.884790 0.638184 0.460712 H\n0.638184 0.884790 0.960712 H\n0.115210 0.361816 0.539288 H\n0.200907 0.120336 0.015956 H\n0.879664 0.799093 0.484044 H\n0.799093 0.879664 0.984044 H\n0.120336 0.200907 0.515956 H\n0.304680 0.960131 0.071745 H\n0.039869 0.695320 0.428255 H\n0.695320 0.039869 0.928255 H\n0.960131 0.304680 0.571745 H\n0.020442 0.441330 0.088974 C\n0.558670 0.979558 0.411026 C\n0.979558 0.558670 0.911026 C\n0.441330 0.020442 0.588974 C\n0.396907 0.346606 0.071753 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C\n0.742817 0.907919 0.945457 C\n0.092081 0.257183 0.554543 C\n",
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"elements": [
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"H",
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],
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"formula_full": "Fe2 Si12 H108 C40",
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},
{
"id": "mp-1247687",
"created_at": "2022-09-04T14:40:21.269830Z",
"structure_string": "Sr4 Ca28 Ti8 Mn24 O96\n1.0\n10.878923 0.000669 -0.001063\n0.000937 15.249154 -0.001403\n-0.001048 -0.000987 10.745165\nSr Ca Ti Mn O\n4 28 8 24 96\ndirect\n0.011405 0.124637 0.498268 Sr\n0.485948 0.376561 0.002358 Sr\n0.235183 0.377549 0.247140 Sr\n0.268109 0.124370 0.253307 Sr\n0.017251 0.124636 0.995589 Ca\n0.023136 0.625193 0.496490 Ca\n0.022967 0.625249 0.996805 Ca\n0.523612 0.124709 0.495499 Ca\n0.524452 0.124937 0.995302 Ca\n0.523258 0.625278 0.495205 Ca\n0.523010 0.625177 0.995663 Ca\n0.480335 0.376561 0.505504 Ca\n0.479187 0.873487 0.005077 Ca\n0.479545 0.873283 0.504772 Ca\n0.976902 0.377065 0.004264 Ca\n0.975999 0.376969 0.504270 Ca\n0.976220 0.872823 0.004435 Ca\n0.976657 0.873019 0.503847 Ca\n0.228573 0.377946 0.744405 Ca\n0.228977 0.872108 0.246016 Ca\n0.228743 0.871977 0.745567 Ca\n0.728655 0.374856 0.246753 Ca\n0.727092 0.374882 0.745150 Ca\n0.727210 0.875070 0.245682 Ca\n0.726758 0.875106 0.745296 Ca\n0.275191 0.124470 0.755259 Ca\n0.273376 0.625375 0.252841 Ca\n0.273531 0.625519 0.753331 Ca\n0.766184 0.124778 0.253588 Ca\n0.768235 0.125035 0.755516 Ca\n0.772628 0.625188 0.254400 Ca\n0.772909 0.624937 0.754792 Ca\n0.996631 0.997032 0.249534 Ti\n0.998444 0.997960 0.752298 Ti\n0.251213 0.997563 0.999133 Ti\n0.252154 0.997298 0.503168 Ti\n0.249795 0.250368 0.997939 Ti\n0.251518 0.251788 0.504573 Ti\n0.995467 0.252272 0.249963 Ti\n0.998086 0.251831 0.751804 Ti\n0.999313 0.502233 0.250759 Mn\n0.000171 0.501639 0.750727 Mn\n0.502679 0.998949 0.251870 Mn\n0.502160 0.999540 0.751977 Mn\n0.502665 0.502486 0.250748 Mn\n0.500550 0.501379 0.747867 Mn\n0.249759 0.502774 0.997061 Mn\n0.250664 0.502451 0.500911 Mn\n0.747914 0.998750 0.001311 Mn\n0.746321 0.998276 0.501329 Mn\n0.751965 0.501530 0.000923 Mn\n0.750085 0.500884 0.500955 Mn\n0.250543 0.748775 0.998567 Mn\n0.251000 0.748658 0.498960 Mn\n0.749501 0.249789 0.001958 Mn\n0.746267 0.251195 0.501565 Mn\n0.750078 0.749990 0.000123 Mn\n0.749871 0.749521 0.500677 Mn\n0.000212 0.748457 0.250670 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{
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"structure_string": "Li8 Fe12 Sn4 O32\n1.0\n8.544843 0.000000 0.000000\n0.000000 8.544843 0.000000\n0.000000 0.000000 8.544843\nLi Fe Sn O\n8 12 4 32\ndirect\n0.123122 0.876878 0.376878 Li\n0.249123 0.749123 0.750877 Li\n0.250877 0.250877 0.250877 Li\n0.376878 0.123122 0.876878 Li\n0.623122 0.623122 0.623122 Li\n0.749123 0.750877 0.249123 Li\n0.750877 0.249123 0.749123 Li\n0.876878 0.376878 0.123122 Li\n0.112491 0.618690 0.124633 Fe\n0.118690 0.375367 0.887509 Fe\n0.124633 0.112491 0.618690 Fe\n0.375367 0.887509 0.118690 Fe\n0.381310 0.624633 0.387509 Fe\n0.387509 0.381310 0.624633 Fe\n0.612491 0.881310 0.875367 Fe\n0.618690 0.124633 0.112491 Fe\n0.624633 0.387509 0.381310 Fe\n0.875367 0.612491 0.881310 Fe\n0.881310 0.875367 0.612491 Fe\n0.887509 0.118690 0.375367 Fe\n0.002682 0.497318 0.502682 Sn\n0.497318 0.502682 0.002682 Sn\n0.502682 0.002682 0.497318 Sn\n0.997318 0.997318 0.997318 Sn\n0.110758 0.124980 0.388785 O\n0.111215 0.889242 0.624980 O\n0.112849 0.612849 0.887151 O\n0.124980 0.388785 0.110758 O\n0.126821 0.137039 0.863275 O\n0.139094 0.360906 0.639094 O\n0.136725 0.626821 0.362961 O\n0.137039 0.863275 0.126821 O\n0.362961 0.136725 0.626821 O\n0.363275 0.373179 0.862961 O\n0.360906 0.639094 0.139094 O\n0.373179 0.862961 0.363275 O\n0.375020 0.611215 0.610758 O\n0.387151 0.387151 0.387151 O\n0.388785 0.110758 0.124980 O\n0.389242 0.875020 0.888785 O\n0.610758 0.375020 0.611215 O\n0.611215 0.610758 0.375020 O\n0.612849 0.887151 0.112849 O\n0.624980 0.111215 0.889242 O\n0.626821 0.362961 0.136725 O\n0.639094 0.139094 0.360906 O\n0.636725 0.873179 0.637039 O\n0.637039 0.636725 0.873179 O\n0.862961 0.363275 0.373179 O\n0.863275 0.126821 0.137039 O\n0.860906 0.860906 0.860906 O\n0.873179 0.637039 0.636725 O\n0.875020 0.888785 0.389242 O\n0.887151 0.112849 0.612849 O\n0.888785 0.389242 0.875020 O\n0.889242 0.624980 0.111215 O\n",
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{
"id": "mp-766515",
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],
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"formula_full": "Zn2 H12 Se4 O16",
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"spacegroup": 14
},
{
"id": "mp-777195",
"created_at": "2022-09-04T14:43:51.669642Z",
"structure_string": "Li1 Fe7 O6 F10\n1.0\n11.360896 0.000000 0.000000\n0.000000 4.596928 0.000000\n0.000000 0.065644 5.119771\nLi Fe O F\n1 7 6 10\ndirect\n0.328197 0.500000 0.000000 Li\n0.161214 0.500000 0.500000 Fe\n0.434706 0.000000 0.500000 Fe\n0.674252 0.500000 0.500000 Fe\n0.920025 0.000000 0.500000 Fe\n0.085734 0.000000 0.000000 Fe\n0.568408 0.000000 0.000000 Fe\n0.826373 0.500000 0.000000 Fe\n0.058689 0.221155 0.677884 O\n0.558528 0.232383 0.681888 O\n0.809392 0.280699 0.685257 O\n0.058689 0.778845 0.322116 O\n0.558528 0.767617 0.318112 O\n0.809392 0.719301 0.314743 O\n0.305943 0.259083 0.649597 F\n0.305943 0.740917 0.350403 F\n0.192078 0.274546 0.168905 F\n0.438964 0.235429 0.173194 F\n0.691362 0.264705 0.171326 F\n0.944480 0.236395 0.165676 F\n0.192078 0.725454 0.831095 F\n0.438964 0.764571 0.826806 F\n0.691362 0.735295 0.828674 F\n0.944480 0.763605 0.834324 F\n",
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"density": 4.246885088502617,
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"volume": 267.38117157314616,
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"formula_full": "Li1 Fe7 O6 F10",
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"spacegroup": 3
},
{
"id": "mp-1210236",
"created_at": "2022-09-04T14:47:30.795636Z",
"structure_string": "Nd2 Fe21 B6\n1.0\n0.000000 5.446216 5.446216\n5.446216 0.000000 5.446216\n5.446216 5.446216 0.000000\nNd Fe B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.337663 0.000000 0.000000 Fe\n0.662337 0.000000 0.000000 Fe\n0.000000 0.337663 0.662337 Fe\n0.000000 0.662337 0.337663 Fe\n0.000000 0.337663 0.000000 Fe\n0.662337 0.000000 0.337663 Fe\n0.000000 0.662337 0.000000 Fe\n0.337663 0.000000 0.662337 Fe\n0.000000 0.000000 0.337663 Fe\n0.000000 0.000000 0.662337 Fe\n0.662337 0.337663 0.000000 Fe\n0.337663 0.662337 0.000000 Fe\n0.389042 0.389042 0.389042 Fe\n0.610958 0.610958 0.610958 Fe\n0.389042 0.389042 0.832874 Fe\n0.389042 0.832874 0.389042 Fe\n0.610958 0.610958 0.167126 Fe\n0.610958 0.167126 0.610958 Fe\n0.832874 0.389042 0.389042 Fe\n0.167126 0.610958 0.610958 Fe\n0.000000 0.000000 0.000000 Fe\n0.728315 0.271685 0.271685 B\n0.271685 0.728315 0.728315 B\n0.271685 0.728315 0.271685 B\n0.728315 0.271685 0.728315 B\n0.271685 0.271685 0.728315 B\n0.728315 0.728315 0.271685 B\n",
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],
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"density": 7.843611708336193,
"density_atomic": 0.08976011846775832,
"volume": 323.08335255168754,
"volume_molar": 6.709149745789543,
"formula_full": "Nd2 Fe21 B6",
"formula_reduced": "Nd2(Fe7B2)3",
"formula_anonymous": "A2B6C21",
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"updated_at": "2021-11-28T01:38:15.009000Z",
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}
]
}