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{
"id": "mp-1042619",
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{
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{
"id": "mp-1186123",
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"structure_string": "Na1 Cd2 Ag1\n1.0\n0.000000 3.520544 3.520544\n3.520544 0.000000 3.520544\n3.520544 3.520544 0.000000\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Ag\n",
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"formula_full": "Na1 Cd2 Ag1",
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{
"id": "mp-758973",
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"structure_string": "Li6 Fe4 Si4 O16\n1.0\n11.316187 0.000000 0.000000\n0.000000 5.174007 0.000000\n0.000000 0.124897 6.103887\nLi Fe Si O\n6 4 4 16\ndirect\n0.834151 0.551964 0.757609 Li\n0.334151 0.448036 0.242391 Li\n0.171829 0.961848 0.241399 Li\n0.669658 0.052425 0.242943 Li\n0.671829 0.038152 0.758601 Li\n0.169658 0.947575 0.757057 Li\n0.573222 0.438639 0.500480 Fe\n0.073222 0.561361 0.499520 Fe\n0.424285 0.067697 0.973896 Fe\n0.924285 0.932303 0.026104 Fe\n0.409285 0.936755 0.491697 Si\n0.909285 0.063245 0.508303 Si\n0.584897 0.564898 0.005167 Si\n0.084897 0.435102 0.994833 Si\n0.838063 0.951829 0.724782 O\n0.333512 0.992953 0.709860 O\n0.933774 0.376894 0.533808 O\n0.545302 0.069538 0.509216 O\n0.433774 0.623106 0.466192 O\n0.045302 0.930462 0.490784 O\n0.833512 0.007047 0.290140 O\n0.338063 0.048171 0.275218 O\n0.157011 0.535926 0.222483 O\n0.653345 0.450808 0.227947 O\n0.451128 0.453696 0.004196 O\n0.951128 0.546304 0.995804 O\n0.589179 0.883312 0.004221 O\n0.089179 0.116688 0.995779 O\n0.657011 0.464074 0.777517 O\n0.153345 0.549192 0.772053 O\n",
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"volume": 357.38277155251524,
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"formula_full": "Li6 Fe4 Si4 O16",
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"spacegroup": 4
},
{
"id": "mp-1094268",
"created_at": "2022-09-04T14:42:13.812799Z",
"structure_string": "Zr4 Sn4\n1.0\n3.204377 -5.550143 0.000000\n3.204377 5.550143 0.000000\n0.000000 0.000000 5.245685\nZr Sn\n4 4\ndirect\n0.999066 0.499533 0.000000 Zr\n0.500467 0.499533 0.000000 Zr\n0.500467 0.000934 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.337707 0.168854 0.500000 Sn\n0.831146 0.168854 0.500000 Sn\n0.831146 0.662293 0.500000 Sn\n",
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"volume": 186.5863986495954,
"volume_molar": 14.045619457116716,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "mp-601202",
"created_at": "2022-09-04T14:42:13.813526Z",
"structure_string": "Na4 H8 C4 S4 O16 F12\n1.0\n5.496876 0.000000 0.000000\n0.000000 6.535904 0.000000\n0.000000 0.000000 17.692024\nNa H C S O F\n4 8 4 4 16 12\ndirect\n0.750000 0.935022 0.263247 Na\n0.750000 0.435022 0.236753 Na\n0.250000 0.064978 0.736753 Na\n0.250000 0.564978 0.763247 Na\n0.606141 0.254889 0.375271 H\n0.893859 0.754889 0.124729 H\n0.106141 0.745111 0.624729 H\n0.393859 0.245111 0.875271 H\n0.393859 0.745111 0.624729 H\n0.106141 0.245111 0.875271 H\n0.893859 0.254889 0.375271 H\n0.606141 0.754889 0.124729 H\n0.250000 0.777072 0.429061 C\n0.250000 0.277072 0.070939 C\n0.750000 0.222928 0.570939 C\n0.750000 0.722928 0.929061 C\n0.250000 0.612199 0.342966 S\n0.250000 0.112199 0.157034 S\n0.750000 0.387801 0.657034 S\n0.750000 0.887801 0.842966 S\n0.750000 0.212663 0.346791 O\n0.750000 0.712663 0.153209 O\n0.250000 0.787337 0.653209 O\n0.250000 0.287337 0.846791 O\n0.250000 0.403752 0.372798 O\n0.250000 0.903752 0.127202 O\n0.750000 0.596248 0.627202 O\n0.750000 0.096248 0.872798 O\n0.473334 0.671277 0.303864 O\n0.026666 0.171277 0.196136 O\n0.973334 0.328723 0.696136 O\n0.526666 0.828723 0.803864 O\n0.526666 0.328723 0.696136 O\n0.973334 0.828723 0.803864 O\n0.026666 0.671277 0.303864 O\n0.473334 0.171277 0.196136 O\n0.250000 0.977873 0.409481 F\n0.250000 0.477873 0.090519 F\n0.750000 0.022127 0.590519 F\n0.750000 0.522127 0.909481 F\n0.450003 0.739646 0.471714 F\n0.049997 0.239646 0.028286 F\n0.950003 0.260354 0.528286 F\n0.549997 0.760354 0.971714 F\n0.549997 0.260354 0.528286 F\n0.950003 0.760354 0.971714 F\n0.049997 0.739646 0.471714 F\n0.450003 0.239646 0.028286 F\n",
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"volume": 635.6222987141057,
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"formula_full": "Na4 H8 C4 S4 O16 F12",
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{
"id": "mp-1201622",
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"structure_string": "B4 P4 Br24\n1.0\n7.609117 0.000000 0.000000\n0.000000 11.934835 0.000000\n0.000000 0.000000 13.342845\nB P Br\n4 4 24\ndirect\n0.436609 0.750000 0.855708 B\n0.063391 0.750000 0.355708 B\n0.563391 0.250000 0.144292 B\n0.936609 0.250000 0.644292 B\n0.695660 0.750000 0.896823 P\n0.804340 0.750000 0.396823 P\n0.304340 0.250000 0.103177 P\n0.195660 0.250000 0.603177 P\n0.878660 0.750000 0.770061 Br\n0.621340 0.750000 0.270061 Br\n0.121340 0.250000 0.229939 Br\n0.378660 0.250000 0.729939 Br\n0.312064 0.750000 0.987224 Br\n0.187936 0.750000 0.487224 Br\n0.687936 0.250000 0.012776 Br\n0.812064 0.250000 0.512776 Br\n0.407692 0.890052 0.776740 Br\n0.092308 0.609948 0.276740 Br\n0.592308 0.390052 0.223260 Br\n0.907692 0.109948 0.723260 Br\n0.592308 0.109948 0.223260 Br\n0.907692 0.390052 0.723260 Br\n0.407692 0.609948 0.776740 Br\n0.092308 0.890052 0.276740 Br\n0.765816 0.896679 0.987644 Br\n0.734184 0.603321 0.487644 Br\n0.234184 0.396679 0.012356 Br\n0.265816 0.103321 0.512356 Br\n0.234184 0.103321 0.012356 Br\n0.265816 0.396679 0.512356 Br\n0.765816 0.603321 0.987644 Br\n0.734184 0.896679 0.487644 Br\n",
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{
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"structure_string": "Li2 Tl1 Bi1\n1.0\n0.000000 3.591645 3.591645\n3.591645 0.000000 3.591645\n3.591645 3.591645 0.000000\nLi Tl Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n",
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{
"id": "mp-1041391",
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"structure_string": "Mg6 W12 O24\n1.0\n6.338116 0.000000 0.000000\n-3.164215 5.676582 0.000000\n-0.049739 -0.664228 15.361798\nMg W O\n6 12 24\ndirect\n0.833244 0.167989 0.955012 Mg\n0.506523 0.510150 0.621580 Mg\n0.171150 0.840143 0.663903 Mg\n0.161407 0.823759 0.291915 Mg\n0.495899 0.496076 0.995394 Mg\n0.500611 0.498721 0.377836 Mg\n0.338676 0.669588 0.834471 W\n0.339373 0.175366 0.831915 W\n0.006686 0.004813 0.503300 W\n0.835619 0.669864 0.834291 W\n0.008119 0.512255 0.501400 W\n0.830808 0.159162 0.334174 W\n0.841395 0.181690 0.714637 W\n0.655470 0.319398 0.165967 W\n0.502475 0.005053 0.503234 W\n0.654665 0.818292 0.164677 W\n0.157726 0.320880 0.165027 W\n0.155299 0.831124 0.044736 W\n0.668898 0.353759 0.912223 O\n0.500198 0.496370 0.756950 O\n0.658077 0.809698 0.920406 O\n0.184967 0.351328 0.911602 O\n0.337536 0.692815 0.581350 O\n0.483610 0.977117 0.757028 O\n0.166681 0.830173 0.424387 O\n0.026056 0.547659 0.743306 O\n0.184279 0.861888 0.908083 O\n0.329138 0.152915 0.587758 O\n0.857680 0.691360 0.580905 O\n0.997942 0.976684 0.756023 O\n0.990953 0.000925 0.243305 O\n0.151010 0.318647 0.420850 O\n0.679178 0.854517 0.417392 O\n0.817615 0.142582 0.089063 O\n0.851176 0.196632 0.576605 O\n0.981339 0.466853 0.249950 O\n0.508683 0.002366 0.244951 O\n0.671654 0.318602 0.420647 O\n0.801313 0.625981 0.088984 O\n0.345400 0.196767 0.074166 O\n0.496736 0.499955 0.242193 O\n0.314735 0.630086 0.088404 O\n",
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{
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"structure_string": "Cr3 Cu1 P4 O16\n1.0\n5.806100 0.000000 0.000000\n0.000000 4.786745 0.000000\n0.000000 0.156066 9.902872\nCr Cu P O\n3 1 4 16\ndirect\n0.000000 0.471670 0.771734 Cr\n0.500000 0.533402 0.224236 Cr\n0.500000 0.968889 0.730047 Cr\n0.000000 0.073324 0.282339 Cu\n0.500000 0.090363 0.404540 P\n0.500000 0.406949 0.907604 P\n0.000000 0.574209 0.094528 P\n0.000000 0.920817 0.594018 P\n0.500000 0.161743 0.553486 O\n0.299244 0.252003 0.327716 O\n0.700756 0.252003 0.327716 O\n0.000000 0.234795 0.613683 O\n0.000000 0.255450 0.109675 O\n0.294710 0.261464 0.828470 O\n0.705290 0.261464 0.828470 O\n0.500000 0.318400 0.055263 O\n0.000000 0.661991 0.945876 O\n0.788839 0.708807 0.168316 O\n0.211161 0.708807 0.168316 O\n0.500000 0.722900 0.890042 O\n0.500000 0.778268 0.382224 O\n0.795461 0.766900 0.672874 O\n0.204539 0.766900 0.672874 O\n0.000000 0.848480 0.445955 O\n",
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],
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"formula_full": "Cr3 Cu1 P4 O16",
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{
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],
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"density": 2.0835589059163446,
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"volume": 449.308974039811,
"volume_molar": 10.021488468144176,
"formula_full": "Li3 Cr4 P1 O19",
"formula_reduced": "Li3Cr4PO19",
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},
{
"id": "mp-15790",
"created_at": "2022-09-04T14:42:13.851260Z",
"structure_string": "Li1 Ho1 S2\n1.0\n6.280138 -1.945503 0.000000\n6.280138 1.945503 0.000000\n5.677447 0.000000 3.315375\nLi Ho S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ho\n0.749758 0.749758 0.749758 S\n0.250242 0.250242 0.250242 S\n",
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"elements": [
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"volume": 81.01468464820438,
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"formula_full": "Li1 Ho1 S2",
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"updated_at": "2021-11-28T01:35:39.798000Z",
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}
]
}