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{
"id": "mp-756461",
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{
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"formula_full": "P6 H24 N6 O19",
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{
"id": "mp-570388",
"created_at": "2022-09-04T14:47:03.252691Z",
"structure_string": "H16 C4 N2 Cl2\n1.0\n6.043543 0.000000 0.000000\n0.000000 4.624365 0.000000\n0.000000 0.545289 8.356544\nH C N Cl\n16 4 2 2\ndirect\n0.750000 0.013237 0.026230 H\n0.250000 0.986763 0.973770 H\n0.397613 0.305991 0.570360 H\n0.750000 0.955807 0.533674 H\n0.250000 0.044193 0.466326 H\n0.892062 0.741699 0.125449 H\n0.602387 0.694009 0.429640 H\n0.102398 0.824317 0.730686 H\n0.897613 0.694009 0.429640 H\n0.607938 0.741699 0.125449 H\n0.897602 0.175683 0.269314 H\n0.392062 0.258301 0.874551 H\n0.602398 0.175683 0.269314 H\n0.397602 0.824317 0.730686 H\n0.102387 0.305991 0.570360 H\n0.107938 0.258301 0.874551 H\n0.250000 0.167084 0.574105 C\n0.250000 0.963299 0.723834 C\n0.750000 0.832916 0.425895 C\n0.750000 0.036701 0.276166 C\n0.250000 0.130251 0.870958 N\n0.750000 0.869749 0.129042 N\n0.750000 0.369337 0.849903 Cl\n0.250000 0.630663 0.150097 Cl\n",
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"formula_full": "H16 C4 N2 Cl2",
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{
"id": "mp-1040095",
"created_at": "2022-09-04T14:40:38.656157Z",
"structure_string": "Li1 Mg30 W1 O32\n1.0\n8.541684 0.000000 0.000000\n0.000000 8.541684 0.000000\n0.000000 0.000000 8.535588\nLi Mg W O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.242024 0.242024 0.000000 Mg\n0.757976 0.242024 0.000000 Mg\n0.242024 0.757976 0.000000 Mg\n0.757976 0.757976 0.000000 Mg\n0.248613 0.248613 0.500000 Mg\n0.751387 0.248613 0.500000 Mg\n0.248613 0.751387 0.500000 Mg\n0.751387 0.751387 0.500000 Mg\n0.246126 0.000000 0.247304 Mg\n0.753874 0.000000 0.247304 Mg\n0.244632 0.500000 0.253628 Mg\n0.755368 0.500000 0.253628 Mg\n0.246126 0.000000 0.752696 Mg\n0.753874 0.000000 0.752696 Mg\n0.244632 0.500000 0.746372 Mg\n0.755368 0.500000 0.746372 Mg\n0.000000 0.246126 0.247304 Mg\n0.500000 0.244632 0.253628 Mg\n0.000000 0.753874 0.247304 Mg\n0.500000 0.755368 0.253628 Mg\n0.000000 0.246126 0.752696 Mg\n0.500000 0.244632 0.746372 Mg\n0.000000 0.753874 0.752696 Mg\n0.500000 0.755368 0.746372 Mg\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.256426 O\n0.500000 0.000000 0.251180 O\n0.000000 0.500000 0.251180 O\n0.500000 0.500000 0.254365 O\n0.000000 0.000000 0.743574 O\n0.500000 0.000000 0.748820 O\n0.000000 0.500000 0.748820 O\n0.500000 0.500000 0.745635 O\n0.251239 0.251239 0.249301 O\n0.748761 0.251239 0.249301 O\n0.251239 0.748761 0.249301 O\n0.748761 0.748761 0.249301 O\n0.251239 0.251239 0.750699 O\n0.748761 0.251239 0.750699 O\n0.251239 0.748761 0.750699 O\n0.748761 0.748761 0.750699 O\n0.257122 0.000000 0.000000 O\n0.742878 0.000000 0.000000 O\n0.246627 0.500000 0.000000 O\n0.753373 0.500000 0.000000 O\n0.251648 0.000000 0.500000 O\n0.748352 0.000000 0.500000 O\n0.250931 0.500000 0.500000 O\n0.749069 0.500000 0.500000 O\n0.000000 0.257122 0.000000 O\n0.500000 0.246627 0.000000 O\n0.000000 0.742878 0.000000 O\n0.500000 0.753373 0.000000 O\n0.000000 0.251648 0.500000 O\n0.500000 0.250931 0.500000 O\n0.000000 0.748352 0.500000 O\n0.500000 0.749069 0.500000 O\n",
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{
"id": "mp-531340",
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"structure_string": "Mg14 Al28 O56\n1.0\n2.880464 5.016344 0.000000\n-2.880464 5.016344 0.000000\n0.000000 3.460776 32.997025\nMg Al O\n14 28 56\ndirect\n0.656528 0.656528 0.020301 Mg\n0.142529 0.142529 0.071714 Mg\n0.630073 0.630073 0.125158 Mg\n0.430264 0.430264 0.214373 Mg\n0.915699 0.915699 0.268716 Mg\n0.803470 0.803470 0.586809 Mg\n0.716293 0.716293 0.357026 Mg\n0.090066 0.090066 0.731589 Mg\n0.201320 0.201320 0.411651 Mg\n0.002054 0.002054 0.499707 Mg\n0.486196 0.486196 0.554086 Mg\n0.375844 0.375844 0.874480 Mg\n0.767632 0.767632 0.695507 Mg\n0.052994 0.052994 0.839360 Mg\n0.940022 0.940022 0.160978 Al\n0.643037 0.142683 0.072361 Al\n0.285641 0.285641 0.141195 Al\n0.225304 0.225304 0.302701 Al\n0.142683 0.643037 0.072361 Al\n0.918979 0.433636 0.214933 Al\n0.571067 0.571067 0.284272 Al\n0.511074 0.511074 0.444357 Al\n0.433636 0.918979 0.214933 Al\n0.203911 0.719323 0.357625 Al\n0.856799 0.856799 0.426760 Al\n0.004018 0.492749 0.500171 Al\n0.719323 0.203911 0.357625 Al\n0.492749 0.004018 0.500171 Al\n0.145397 0.145397 0.571249 Al\n0.285398 0.787134 0.642580 Al\n0.787134 0.285398 0.642580 Al\n0.571090 0.571090 0.785366 Al\n0.429063 0.429063 0.713669 Al\n0.571138 0.072549 0.785367 Al\n0.072549 0.571138 0.785367 Al\n0.853971 0.853971 0.928574 Al\n0.285990 0.285990 0.642879 Al\n0.714309 0.714309 0.856364 Al\n0.362391 0.854857 0.928827 Al\n0.854857 0.362391 0.928827 Al\n0.995647 0.995647 0.003544 Al\n0.339819 0.339819 0.982915 Al\n0.280655 0.823609 0.036171 O\n0.823609 0.280655 0.036171 O\n0.958262 0.958262 0.105941 O\n0.835764 0.835764 0.038405 O\n0.584661 0.107422 0.177505 O\n0.451399 0.451399 0.103499 O\n0.326846 0.326846 0.036066 O\n0.107422 0.584661 0.177505 O\n0.460796 0.003991 0.105150 O\n0.242858 0.242858 0.246392 O\n0.113595 0.113595 0.178323 O\n0.003991 0.460796 0.105150 O\n0.871714 0.392296 0.320164 O\n0.738322 0.738322 0.247654 O\n0.615930 0.615930 0.183323 O\n0.528461 0.528461 0.388406 O\n0.392296 0.871714 0.320164 O\n0.746986 0.287157 0.248773 O\n0.398179 0.398179 0.320711 O\n0.287157 0.746986 0.248773 O\n0.160476 0.676796 0.462594 O\n0.023902 0.023902 0.390698 O\n0.676796 0.160476 0.462594 O\n0.032777 0.572190 0.391708 O\n0.901506 0.901506 0.326556 O\n0.813850 0.813850 0.527219 O\n0.681337 0.681337 0.462934 O\n0.572190 0.032777 0.391708 O\n0.430558 0.982289 0.610414 O\n0.309179 0.309179 0.534520 O\n0.982289 0.430558 0.610414 O\n0.318364 0.860078 0.536579 O\n0.108445 0.108445 0.673205 O\n0.186608 0.186608 0.470147 O\n0.980648 0.980648 0.609708 O\n0.860078 0.318364 0.536579 O\n0.714382 0.266422 0.753015 O\n0.588729 0.588729 0.677771 O\n0.589117 0.144684 0.677883 O\n0.462618 0.462618 0.614088 O\n0.394589 0.394589 0.816133 O\n0.266422 0.714382 0.753015 O\n0.266731 0.266731 0.753012 O\n0.144684 0.589117 0.677883 O\n0.999204 0.552310 0.895606 O\n0.874630 0.874630 0.820619 O\n0.874858 0.429394 0.820638 O\n0.552310 0.999204 0.895606 O\n0.747854 0.747854 0.756491 O\n0.679677 0.679677 0.959359 O\n0.552695 0.552695 0.895794 O\n0.429394 0.874858 0.820638 O\n0.169740 0.169740 0.963841 O\n0.033326 0.033326 0.901302 O\n0.166773 0.696453 0.963231 O\n0.696453 0.166773 0.963231 O\n",
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{
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