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{
"id": "mp-1174781",
"created_at": "2022-09-04T14:42:41.876028Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n3.026079 0.000000 0.000000\n-1.225521 4.952038 0.000000\n-1.053084 -1.737077 14.626896\nLi Mn Co O\n7 2 3 12\ndirect\n0.333220 0.583083 0.084816 Li\n0.004912 0.748481 0.251113 Li\n0.667784 0.908925 0.416105 Li\n0.332806 0.090296 0.583699 Li\n0.994253 0.252407 0.747413 Li\n0.666735 0.415457 0.917183 Li\n0.999691 0.499131 0.499157 Li\n0.005429 0.000993 0.001704 Mn\n0.327287 0.831740 0.830202 Mn\n0.674818 0.167720 0.171079 Co\n0.342807 0.341310 0.340587 Co\n0.651482 0.659342 0.657522 Co\n0.697091 0.280971 0.048648 O\n0.322142 0.437331 0.217323 O\n0.006910 0.598268 0.371654 O\n0.674793 0.788973 0.553165 O\n0.346171 0.937498 0.708742 O\n0.025092 0.114454 0.878233 O\n0.013197 0.889480 0.124027 O\n0.648503 0.062433 0.289728 O\n0.325191 0.210106 0.444917 O\n0.988490 0.402072 0.626891 O\n0.644070 0.559104 0.782047 O\n0.307126 0.720427 0.954045 O\n",
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{
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"structure_string": "Mg12 Ni2 B2\n1.0\n4.440172 0.000000 0.000000\n0.000000 6.392648 0.000000\n0.000000 0.000000 9.937494\nMg Ni B\n12 2 2\ndirect\n0.500000 0.251534 0.596305 Mg\n0.500000 0.748466 0.596305 Mg\n0.000000 0.245590 0.405496 Mg\n0.000000 0.754410 0.405496 Mg\n0.000000 0.000000 0.674602 Mg\n0.000000 0.000000 0.170854 Mg\n0.500000 0.751534 0.096305 Mg\n0.500000 0.248466 0.096305 Mg\n0.000000 0.745590 0.905496 Mg\n0.000000 0.254410 0.905496 Mg\n0.000000 0.500000 0.174602 Mg\n0.000000 0.500000 0.670854 Mg\n0.500000 0.000000 0.836145 Ni\n0.500000 0.500000 0.336145 Ni\n0.500000 0.000000 0.314800 B\n0.500000 0.500000 0.814800 B\n",
"nsites": 16,
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"elements": [
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"density": 2.535333197101245,
"density_atomic": 0.05672343440424145,
"volume": 282.07036770685403,
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"formula_full": "Mg12 Ni2 B2",
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"updated_at": "2021-11-28T01:35:52.050000Z",
"spacegroup": 38
},
{
"id": "mp-22424",
"created_at": "2022-09-04T14:42:41.941084Z",
"structure_string": "Na4 S2 O8\n1.0\n2.487577 -4.308610 0.000000\n2.487577 4.308610 0.000000\n0.000000 0.000000 8.355543\nNa S O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.048861 Na\n0.666667 0.333333 0.951139 Na\n0.666667 0.333333 0.279634 S\n0.333333 0.666667 0.720366 S\n0.847269 0.152731 0.770321 O\n0.847269 0.694538 0.770321 O\n0.305462 0.152731 0.770321 O\n0.694538 0.847269 0.229679 O\n0.152731 0.305462 0.229679 O\n0.152731 0.847269 0.229679 O\n0.666667 0.333333 0.452628 O\n0.333333 0.666667 0.547372 O\n",
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"volume": 179.10940534254254,
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"formula_full": "Na4 S2 O8",
"formula_reduced": "Na2SO4",
"formula_anonymous": "AB2C4",
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{
"id": "mp-754061",
"created_at": "2022-09-04T14:42:41.970796Z",
"structure_string": "Na6 Sn2 P2 C2 O14\n1.0\n7.265675 0.000000 0.000000\n0.000000 5.496107 0.000000\n0.000000 1.043458 9.336109\nNa Sn P C O\n6 2 2 2 14\ndirect\n0.250000 0.778862 0.094143 Na\n0.020016 0.249492 0.275245 Na\n0.479984 0.249492 0.275245 Na\n0.979984 0.750508 0.724755 Na\n0.520016 0.750508 0.724755 Na\n0.750000 0.221138 0.905857 Na\n0.750000 0.740734 0.342382 Sn\n0.250000 0.259266 0.657618 Sn\n0.250000 0.711834 0.404907 P\n0.750000 0.288166 0.595093 P\n0.750000 0.680944 0.038042 C\n0.250000 0.319056 0.961958 C\n0.750000 0.900212 0.076741 O\n0.250000 0.355999 0.095123 O\n0.750000 0.491882 0.138643 O\n0.079378 0.824081 0.319094 O\n0.420622 0.824081 0.319094 O\n0.250000 0.428160 0.402170 O\n0.750000 0.238648 0.434956 O\n0.250000 0.761352 0.565044 O\n0.750000 0.571840 0.597830 O\n0.579378 0.175919 0.680906 O\n0.920622 0.175919 0.680906 O\n0.250000 0.508118 0.861357 O\n0.750000 0.644001 0.904877 O\n0.250000 0.099788 0.923258 O\n",
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"formula_full": "Na6 Sn2 P2 C2 O14",
"formula_reduced": "Na3SnPCO7",
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"updated_at": "2021-11-28T01:36:03.728000Z",
"spacegroup": 11
},
{
"id": "mp-556123",
"created_at": "2022-09-04T14:42:41.972953Z",
"structure_string": "Sr2 Sc2 B4 O11\n1.0\n-5.129042 0.000000 0.000000\n1.577621 6.152200 0.000000\n-0.105061 -1.522209 -7.212948\nSr Sc B O\n2 2 4 11\ndirect\n0.222810 0.805484 0.163277 Sr\n0.777190 0.194516 0.836723 Sr\n0.185898 0.718066 0.646461 Sc\n0.814102 0.281934 0.353539 Sc\n0.720893 0.780399 0.393522 B\n0.353801 0.344114 0.101877 B\n0.646199 0.655886 0.898123 B\n0.279107 0.219601 0.606478 B\n0.887386 0.644326 0.423458 O\n0.909259 0.658203 0.867071 O\n0.540890 0.255280 0.556822 O\n0.459110 0.744720 0.443178 O\n0.500000 0.500000 0.000000 O\n0.507570 0.794325 0.847122 O\n0.112614 0.355674 0.576542 O\n0.826019 0.948181 0.297307 O\n0.090741 0.341797 0.132929 O\n0.173981 0.051819 0.702693 O\n0.492430 0.205675 0.152878 O\n",
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"formula_full": "Sr2 Sc2 B4 O11",
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{
"id": "mp-1221311",
"created_at": "2022-09-04T14:42:41.976850Z",
"structure_string": "Na8 Eu4 P8 Pb2\n1.0\n8.360970 4.822716 0.000000\n-8.360970 4.822716 0.000000\n0.000000 0.249807 7.256239\nNa Eu P Pb\n8 4 8 2\ndirect\n0.072051 0.533550 0.623031 Na\n0.533550 0.072051 0.123031 Na\n0.276686 0.134179 0.810312 Na\n0.863379 0.710914 0.777183 Na\n0.864314 0.147961 0.789988 Na\n0.710914 0.863379 0.277183 Na\n0.134179 0.276686 0.310312 Na\n0.147961 0.864314 0.289988 Na\n0.467817 0.942676 0.616699 Eu\n0.463484 0.516804 0.624565 Eu\n0.942676 0.467817 0.116699 Eu\n0.516804 0.463484 0.124565 Eu\n0.629657 0.807852 0.859839 P\n0.187794 0.369491 0.907780 P\n0.179042 0.809306 0.886644 P\n0.369491 0.187794 0.407780 P\n0.807852 0.629657 0.359839 P\n0.809306 0.179042 0.386644 P\n0.665089 0.341949 0.872215 P\n0.341949 0.665089 0.372215 P\n0.677866 0.340736 0.507326 Pb\n0.340736 0.677866 0.007326 Pb\n",
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{
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"structure_string": "Eu2 V1 W1 O6\n1.0\n0.000000 -4.020017 -4.020017\n4.020017 -0.000000 -4.020017\n4.020017 -4.020017 0.000000\nEu V W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 V\n0.500000 0.500000 0.500000 W\n0.743339 0.256661 0.256661 O\n0.256661 0.743339 0.743339 O\n0.743339 0.256661 0.743339 O\n0.256661 0.743339 0.256661 O\n0.743339 0.743339 0.256661 O\n0.256661 0.256661 0.743339 O\n",
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{
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"volume": 582.8898460152865,
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{
"id": "mp-1175985",
"created_at": "2022-09-04T14:42:41.889686Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.993546 0.000000 0.000000\n-0.762865 6.451585 0.000000\n-1.228001 -1.403340 8.874875\nLi Mn Co O\n9 2 5 16\ndirect\n0.745091 0.318592 0.197552 Li\n0.763469 0.806526 0.667471 Li\n0.237877 0.199405 0.322694 Li\n0.245335 0.678110 0.805095 Li\n0.765294 0.072794 0.446537 Li\n0.751273 0.553029 0.927385 Li\n0.240923 0.438767 0.062702 Li\n0.251886 0.932399 0.564191 Li\n0.003515 0.500801 0.500138 Li\n0.999241 0.997628 0.000930 Mn\n0.497495 0.871800 0.130165 Mn\n0.491417 0.379606 0.615374 Co\n0.995895 0.748906 0.260704 Co\n0.008073 0.250866 0.742746 Co\n0.505062 0.625440 0.377722 Co\n0.501450 0.129245 0.867267 Co\n0.858480 0.260085 0.974213 O\n0.842903 0.770355 0.456565 O\n0.366849 0.133530 0.092018 O\n0.395045 0.653452 0.571451 O\n0.856610 0.006286 0.224444 O\n0.866539 0.503492 0.717566 O\n0.365182 0.398709 0.831780 O\n0.370532 0.884312 0.327001 O\n0.605302 0.369896 0.404748 O\n0.629003 0.849212 0.934725 O\n0.147795 0.220472 0.535071 O\n0.140289 0.737973 0.034425 O\n0.647331 0.108290 0.669139 O\n0.622602 0.611433 0.175318 O\n0.138714 0.502685 0.281659 O\n0.143528 0.985901 0.781204 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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{
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"formula_full": "V4 O4 F8",
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},
{
"id": "mp-676398",
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"structure_string": "Rb2 Cr1 Cl4\n1.0\n3.579491 3.599218 0.000000\n-3.579491 3.599218 0.000000\n0.000000 3.394298 8.111708\nRb Cr Cl\n2 1 4\ndirect\n0.366119 0.366119 0.278935 Rb\n0.633881 0.633881 0.721065 Rb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cl\n0.143829 0.143829 0.694016 Cl\n0.500000 0.000000 0.000000 Cl\n0.856171 0.856171 0.305984 Cl\n",
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]
}