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{
"id": "mp-758598",
"created_at": "2022-09-04T14:48:28.064159Z",
"structure_string": "Li24 Fe24 P24 O96\n1.0\n5.012909 -8.682613 0.000000\n5.012909 8.682613 0.000000\n0.000000 0.000000 24.091618\nLi Fe P O\n24 24 24 96\ndirect\n0.021825 0.970851 0.694902 Li\n0.030508 0.581602 0.034649 Li\n0.061387 0.464389 0.193994 Li\n0.039960 0.476848 0.848795 Li\n0.403002 0.938613 0.860661 Li\n0.436888 0.960040 0.515462 Li\n0.029149 0.050973 0.028236 Li\n0.050973 0.021825 0.861569 Li\n0.551094 0.969492 0.701316 Li\n0.418398 0.448906 0.367982 Li\n0.523152 0.563112 0.182129 Li\n0.535611 0.596998 0.527327 Li\n0.464389 0.403002 0.027327 Li\n0.476848 0.436888 0.682129 Li\n0.581602 0.551094 0.867982 Li\n0.448906 0.030508 0.201316 Li\n0.949027 0.978175 0.361569 Li\n0.970851 0.949027 0.528236 Li\n0.563112 0.039960 0.015462 Li\n0.596998 0.061387 0.360661 Li\n0.960040 0.523152 0.348795 Li\n0.938613 0.535611 0.693994 Li\n0.969492 0.418398 0.534649 Li\n0.978175 0.029149 0.194902 Li\n0.105938 0.823286 0.272581 Fe\n0.081902 0.759350 0.919815 Fe\n0.124360 0.756439 0.595294 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0.014196 O\n0.251546 0.528632 0.246343 O\n0.325573 0.585966 0.347529 O\n0.211706 0.461984 0.793468 O\n0.414034 0.739606 0.680863 O\n0.412313 0.806983 0.278080 O\n0.472415 0.839969 0.803287 O\n0.311756 0.432124 0.079485 O\n0.344151 0.479988 0.637949 O\n0.367555 0.527585 0.469954 O\n0.241497 0.275691 0.525095 O\n0.394670 0.587687 0.944747 O\n0.471368 0.722914 0.579676 O\n0.520012 0.864162 0.971282 O\n0.567876 0.879631 0.412819 O\n0.158436 0.143855 0.096842 O\n0.226819 0.270017 0.421023 O\n0.317142 0.335211 0.174636 O\n0.175890 0.088201 0.639168 O\n0.338078 0.352589 0.855617 O\n0.538016 0.749722 0.126802 O\n0.305671 0.239935 0.975264 O\n0.647411 0.985489 0.188950 O\n0.341998 0.315663 0.752254 O\n0.370411 0.292540 0.308660 O\n0.664789 0.981931 0.507969 O\n0.724309 0.965806 0.858428 O\n0.270017 0.043199 0.254357 O\n0.729983 0.956801 0.754357 O\n0.275691 0.034194 0.358428 O\n0.335211 0.018069 0.007969 O\n0.629589 0.707460 0.808660 O\n0.658002 0.684337 0.252254 O\n0.352589 0.014511 0.688950 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O\n0.879631 0.311756 0.246152 O\n0.864162 0.344151 0.804616 O\n0.760065 0.065737 0.308597 O\n0.985489 0.338078 0.022283 O\n0.965806 0.241497 0.691761 O\n0.856145 0.014581 0.430175 O\n0.981931 0.317142 0.341302 O\n0.911799 0.087689 0.972501 O\n0.956801 0.226819 0.587690 O\n",
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"elements": [
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"density": 2.997876554098016,
"density_atomic": 0.08010747680532761,
"volume": 2097.1825190333175,
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"formula_full": "Li24 Fe24 P24 O96",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:39:19.146000Z",
"spacegroup": 169
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{
"id": "mp-1096384",
"created_at": "2022-09-04T14:48:28.070239Z",
"structure_string": "Nb1 Cr2 Tc1\n1.0\n-4.666346 6.212950 7.955516\n4.666346 -6.212950 7.955516\n4.666346 6.212950 -7.955516\nNb Cr Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.251051 0.251051 Cr\n0.000000 0.748949 0.748949 Cr\n0.000000 0.500000 0.500000 Tc\n",
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{
"id": "mp-5839",
"created_at": "2022-09-04T14:48:28.089424Z",
"structure_string": "Ti2 P2 O8\n1.0\n2.641674 -4.022713 0.000000\n2.641674 4.022713 0.000000\n0.000000 0.000000 6.590652\nTi P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.654167 0.345833 0.250000 P\n0.345833 0.654167 0.750000 P\n0.238183 0.761817 0.557977 O\n0.761817 0.238183 0.057977 O\n0.761817 0.238183 0.442023 O\n0.238183 0.761817 0.942023 O\n0.701392 0.787808 0.750000 O\n0.298608 0.212192 0.250000 O\n0.787808 0.701392 0.250000 O\n0.212192 0.298608 0.750000 O\n",
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"density_atomic": 0.08566917783632517,
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"formula_full": "Ti2 P2 O8",
"formula_reduced": "TiPO4",
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{
"id": "mp-1222678",
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"structure_string": "Li2 Br1 O1\n1.0\n4.015102 0.000000 0.000000\n0.000000 4.015102 0.000000\n0.000000 0.000000 3.899511\nLi Br O\n2 1 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:48:28.332760Z",
"structure_string": "Hg4 C6 I14 N18\n1.0\n6.390637 6.049507 0.000000\n-6.390637 6.049507 0.000000\n0.000000 4.167653 17.130885\nHg C I N\n4 6 14 18\ndirect\n0.064029 0.097341 0.133095 Hg\n0.902659 0.935971 0.366905 Hg\n0.935971 0.902659 0.866905 Hg\n0.097341 0.064029 0.633095 Hg\n0.423506 0.576494 0.250000 C\n0.576494 0.423506 0.750000 C\n0.569300 0.749182 0.052316 C\n0.250818 0.430700 0.447684 C\n0.430700 0.250818 0.947684 C\n0.749182 0.569300 0.552316 C\n0.914391 0.244043 0.016634 I\n0.755957 0.085609 0.483366 I\n0.085609 0.755957 0.983366 I\n0.244043 0.914391 0.516634 I\n0.981632 0.724803 0.152839 I\n0.275197 0.018368 0.347161 I\n0.018368 0.275197 0.847161 I\n0.724803 0.981632 0.652839 I\n0.350246 0.070414 0.175224 I\n0.929586 0.649754 0.324776 I\n0.649754 0.929586 0.824776 I\n0.070414 0.350246 0.675224 I\n0.826290 0.173710 0.250000 I\n0.173710 0.826290 0.750000 I\n0.530899 0.469101 0.250000 N\n0.469101 0.530899 0.750000 N\n0.293986 0.490839 0.259349 N\n0.509161 0.706014 0.240651 N\n0.706014 0.509161 0.740651 N\n0.490839 0.293986 0.759349 N\n0.514262 0.602124 0.079759 N\n0.397876 0.485738 0.420241 N\n0.485738 0.397876 0.920241 N\n0.602124 0.514262 0.579759 N\n0.649015 0.861632 0.021396 N\n0.138368 0.350985 0.478604 N\n0.350985 0.138368 0.978604 N\n0.861632 0.649015 0.521396 N\n0.392138 0.527709 0.092199 N\n0.472291 0.607862 0.407801 N\n0.607862 0.472291 0.907801 N\n0.527709 0.392138 0.592199 N\n",
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{
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"structure_string": "Fe10 C4\n1.0\n2.253661 5.801294 0.000000\n-2.253661 5.801294 0.000000\n0.000000 0.657736 4.946085\nFe C\n10 4\ndirect\n0.181767 0.015022 0.583006 Fe\n0.984978 0.818233 0.916994 Fe\n0.203797 0.367577 0.310612 Fe\n0.632423 0.796203 0.189388 Fe\n0.796203 0.632423 0.689388 Fe\n0.367577 0.203797 0.810612 Fe\n0.015022 0.181767 0.083006 Fe\n0.818233 0.984978 0.416994 Fe\n0.567225 0.432775 0.750000 Fe\n0.432775 0.567225 0.250000 Fe\n0.201410 0.572475 0.578711 C\n0.427525 0.798590 0.921289 C\n0.798590 0.427525 0.421289 C\n0.572475 0.201410 0.078711 C\n",
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{
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"structure_string": "Mg4 Ni4 P8 O28\n1.0\n8.380027 0.000000 0.000000\n0.000000 7.010398 0.000000\n0.000000 3.624748 8.377630\nMg Ni P O\n4 4 8 28\ndirect\n0.940773 0.694530 0.180639 Mg\n0.440773 0.305470 0.319361 Mg\n0.559227 0.694530 0.680639 Mg\n0.059227 0.305470 0.819361 Mg\n0.074729 0.229935 0.389894 Ni\n0.925271 0.770065 0.610106 Ni\n0.574729 0.770065 0.110106 Ni\n0.425271 0.229935 0.889894 Ni\n0.732929 0.059806 0.759548 P\n0.227549 0.530595 0.032086 P\n0.767071 0.059806 0.259548 P\n0.272451 0.530595 0.532086 P\n0.232929 0.940194 0.740452 P\n0.727549 0.469405 0.467914 P\n0.772451 0.469405 0.967914 P\n0.267071 0.940194 0.240452 P\n0.173859 0.748582 0.899145 O\n0.610090 0.112363 0.314612 O\n0.889910 0.112363 0.814612 O\n0.390221 0.550721 0.102981 O\n0.826141 0.251418 0.100855 O\n0.095238 0.975226 0.620146 O\n0.609779 0.449279 0.897019 O\n0.091394 0.484043 0.153951 O\n0.265029 0.374863 0.450973 O\n0.904762 0.024774 0.379854 O\n0.404762 0.975226 0.120146 O\n0.760117 0.879419 0.203176 O\n0.260117 0.120581 0.296824 O\n0.326141 0.748582 0.399145 O\n0.595238 0.024774 0.879854 O\n0.110090 0.887637 0.185388 O\n0.239883 0.120581 0.796824 O\n0.908606 0.515957 0.846049 O\n0.234971 0.374863 0.950973 O\n0.765029 0.625137 0.049027 O\n0.890221 0.449279 0.397019 O\n0.408606 0.484043 0.653951 O\n0.591394 0.515957 0.346049 O\n0.389910 0.887637 0.685388 O\n0.739883 0.879419 0.703176 O\n0.109779 0.550721 0.602981 O\n0.734971 0.625137 0.549027 O\n0.673859 0.251418 0.600855 O\n",
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