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{
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{
"id": "mp-773432",
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"structure_string": "K2 Mn2 P2 C2 O14\n1.0\n6.211377 0.000000 0.000000\n0.000000 5.403057 0.000000\n0.000000 0.225941 10.006577\nK Mn P C O\n2 2 2 2 14\ndirect\n0.592241 0.755100 0.765017 K\n0.092241 0.244900 0.234983 K\n0.228837 0.226460 0.645824 Mn\n0.728837 0.773540 0.354176 Mn\n0.733635 0.274499 0.557339 P\n0.233635 0.725501 0.442661 P\n0.253973 0.280508 0.887582 C\n0.753973 0.719492 0.112418 C\n0.779886 0.687857 0.991389 O\n0.243651 0.064545 0.829659 O\n0.237210 0.462445 0.797025 O\n0.923319 0.220505 0.655599 O\n0.539339 0.224318 0.652860 O\n0.237564 0.892834 0.563841 O\n0.732497 0.552057 0.513619 O\n0.232497 0.447943 0.486381 O\n0.737564 0.107166 0.436159 O\n0.039339 0.775682 0.347140 O\n0.423319 0.779495 0.344401 O\n0.737210 0.537555 0.202975 O\n0.743651 0.935455 0.170341 O\n0.279886 0.312143 0.008611 O\n",
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{
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"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.241255 0.000000 0.000000\n-1.739150 8.098198 0.000000\n-0.539726 -0.742477 8.440009\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.743180 0.501966 0.111114 Li\n0.589516 0.128627 0.288411 Li\n0.263953 0.513340 0.890766 Li\n0.771489 0.012807 0.884389 Li\n0.469152 0.720057 0.335114 Fe\n0.978049 0.221644 0.335800 Fe\n0.026972 0.775072 0.663050 Fe\n0.520564 0.270686 0.663135 Fe\n0.755468 0.506459 0.422326 P\n0.254384 0.998441 0.423127 P\n0.736067 0.993900 0.575294 P\n0.241272 0.488464 0.577936 P\n0.526296 0.784011 0.048891 C\n0.026025 0.274866 0.048825 C\n0.970301 0.724096 0.945975 C\n0.493628 0.230732 0.960934 C\n0.413658 0.654215 0.068722 O\n0.902449 0.155238 0.071885 O\n0.934748 0.687366 0.081945 O\n0.594860 0.872130 0.180601 O\n0.476275 0.190206 0.100181 O\n0.109802 0.352152 0.178248 O\n0.635017 0.575852 0.309999 O\n0.804896 0.371220 0.307196 O\n0.306247 0.864088 0.313977 O\n0.118817 0.060850 0.327004 O\n0.908578 0.645505 0.478722 O\n0.792732 0.076090 0.423421 O\n0.319475 0.554770 0.430034 O\n0.413242 0.141296 0.466187 O\n0.589328 0.847216 0.521084 O\n0.674988 0.432012 0.566080 O\n0.193764 0.934952 0.579708 O\n0.088362 0.347910 0.521502 O\n0.872324 0.936783 0.675974 O\n0.186322 0.619048 0.689808 O\n0.678541 0.119415 0.692992 O\n0.362917 0.419621 0.689091 O\n0.885989 0.640606 0.819419 O\n0.577068 0.827493 0.918866 O\n0.399402 0.147808 0.841589 O\n0.066925 0.321373 0.916901 O\n0.605583 0.355482 0.927460 O\n0.088142 0.842885 0.910503 O\n",
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"volume": 563.2804172154885,
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"formula_full": "Li4 Fe4 P4 C4 O28",
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"spacegroup": 1
},
{
"id": "mp-1225376",
"created_at": "2022-09-04T14:41:13.351863Z",
"structure_string": "Fe1 Bi1 P1 Pb1 O7\n1.0\n2.055966 5.913827 0.000000\n-2.055966 5.913827 0.000000\n0.000000 2.747305 7.265559\nFe Bi P Pb O\n1 1 1 1 7\ndirect\n0.001155 0.001155 0.985884 Fe\n0.261928 0.261928 0.189891 Bi\n0.528176 0.528176 0.589407 P\n0.753738 0.753738 0.792796 Pb\n0.164845 0.164845 0.987074 O\n0.824088 0.824088 0.048844 O\n0.394544 0.394544 0.617064 O\n0.615140 0.615140 0.392576 O\n0.461425 0.461425 0.074284 O\n0.302070 0.823491 0.714190 O\n0.823491 0.302070 0.714190 O\n",
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"elements": [
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"formula_full": "Fe1 Bi1 P1 Pb1 O7",
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"formula_anonymous": "ABCDE7",
"energy": -75.76338889,
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{
"id": "mp-772595",
"created_at": "2022-09-04T14:39:19.065438Z",
"structure_string": "Na2 Si2 Sb2 C2 O14\n1.0\n6.526539 0.000000 0.000000\n0.000000 5.351662 0.000000\n0.000000 0.434975 9.306164\nNa Si Sb C O\n2 2 2 2 14\ndirect\n0.525944 0.759886 0.777818 Na\n0.025944 0.240114 0.222182 Na\n0.743838 0.274989 0.565304 Si\n0.243838 0.725011 0.434696 Si\n0.237891 0.211841 0.657658 Sb\n0.737891 0.788159 0.342342 Sb\n0.255612 0.275659 0.923534 C\n0.755612 0.724341 0.076466 C\n0.751543 0.691997 0.947680 O\n0.252865 0.051845 0.862889 O\n0.260435 0.463196 0.819351 O\n0.938949 0.210494 0.669987 O\n0.544638 0.199927 0.664138 O\n0.256223 0.873804 0.584449 O\n0.734214 0.578737 0.521932 O\n0.234214 0.421263 0.478068 O\n0.756223 0.126196 0.415551 O\n0.044638 0.800073 0.335862 O\n0.438949 0.789506 0.330013 O\n0.760435 0.536804 0.180649 O\n0.752865 0.948155 0.137111 O\n0.251543 0.308003 0.052320 O\n",
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"elements": [
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],
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"formula_full": "Na2 Si2 Sb2 C2 O14",
"formula_reduced": "NaSiSbCO7",
"formula_anonymous": "ABCDE7",
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{
"id": "mp-773160",
"created_at": "2022-09-04T14:41:04.720776Z",
"structure_string": "Li2 Cr2 C2 S2 O14\n1.0\n9.267174 -0.000290 0.035414\n-0.000209 6.381948 0.000079\n0.253884 0.000056 5.224709\nLi Cr C S O\n2 2 2 2 14\ndirect\n0.135744 0.561495 0.247452 Li\n0.864286 0.061502 0.752549 Li\n0.345460 0.733612 0.779936 Cr\n0.654429 0.233464 0.220037 Cr\n0.087408 0.759059 0.727304 C\n0.912564 0.259012 0.272663 C\n0.428405 0.233330 0.727753 S\n0.571620 0.733331 0.272249 S\n0.041025 0.301380 0.302582 O\n0.147030 0.739816 0.951552 O\n0.186929 0.732662 0.536218 O\n0.335577 0.050064 0.789111 O\n0.337300 0.417816 0.799394 O\n0.437468 0.729439 0.129226 O\n0.469354 0.239253 0.447755 O\n0.530655 0.739216 0.552288 O\n0.562552 0.229445 0.870742 O\n0.662704 0.917853 0.200650 O\n0.664495 0.550111 0.210891 O\n0.813075 0.232650 0.463789 O\n0.852941 0.239779 0.048490 O\n0.958981 0.801408 0.697368 O\n",
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],
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"formula_full": "Li2 Cr2 C2 S2 O14",
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{
"id": "mp-769584",
"created_at": "2022-09-04T14:39:45.510856Z",
"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n6.258094 0.000000 0.000000\n0.000000 5.253293 0.000000\n0.000000 0.392391 9.036438\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.524248 0.760869 0.764168 Na\n0.024248 0.239131 0.235832 Na\n0.238700 0.215588 0.656945 Mn\n0.738700 0.784412 0.343055 Mn\n0.744854 0.278555 0.566767 P\n0.244854 0.721445 0.433233 P\n0.255416 0.274346 0.921167 C\n0.755416 0.725654 0.078833 C\n0.760836 0.691297 0.944984 O\n0.250219 0.051156 0.860109 O\n0.252787 0.460069 0.816851 O\n0.935973 0.215378 0.670555 O\n0.550869 0.204763 0.666813 O\n0.252453 0.871325 0.575549 O\n0.735793 0.569208 0.525170 O\n0.235793 0.430792 0.474830 O\n0.752453 0.128675 0.424451 O\n0.050869 0.795237 0.333187 O\n0.435973 0.784622 0.329445 O\n0.752787 0.539931 0.183149 O\n0.750219 0.948844 0.139891 O\n0.260836 0.308703 0.055016 O\n",
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{
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"structure_string": "Li2 Zr2 P2 C2 O14\n1.0\n6.630930 0.000000 0.000000\n0.000000 5.682707 0.000000\n0.000000 0.250606 8.895712\nLi Zr P C O\n2 2 2 2 14\ndirect\n0.432383 0.745871 0.843559 Li\n0.932383 0.254129 0.156441 Li\n0.254638 0.203927 0.658376 Zr\n0.754638 0.796073 0.341624 Zr\n0.758233 0.278641 0.551826 P\n0.258233 0.721359 0.448174 P\n0.256052 0.261646 0.947550 C\n0.756052 0.738354 0.052450 C\n0.706657 0.705985 0.921181 O\n0.273607 0.051430 0.884598 O\n0.285347 0.436305 0.843658 O\n0.942348 0.213792 0.650327 O\n0.568039 0.197793 0.636249 O\n0.273548 0.849142 0.600792 O\n0.751296 0.546140 0.516843 O\n0.251296 0.453860 0.483157 O\n0.773548 0.150858 0.399208 O\n0.068039 0.802207 0.363751 O\n0.442348 0.786208 0.349673 O\n0.785347 0.563695 0.156342 O\n0.773607 0.948570 0.115402 O\n0.206657 0.294015 0.078819 O\n",
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{
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"created_at": "2022-09-04T14:46:25.110019Z",
"structure_string": "Li2 Ti2 P2 C2 O14\n1.0\n6.336385 0.000000 0.000000\n0.000000 5.686126 0.000000\n0.000000 0.467426 8.579496\nLi Ti P C O\n2 2 2 2 14\ndirect\n0.895682 0.247754 0.165189 Li\n0.395682 0.752246 0.834811 Li\n0.774335 0.786296 0.338042 Ti\n0.274335 0.213704 0.661958 Ti\n0.276039 0.735633 0.456278 P\n0.776039 0.264367 0.543722 P\n0.736302 0.737815 0.055322 C\n0.236302 0.262185 0.944678 C\n0.579476 0.203071 0.642808 O\n0.766091 0.942304 0.120460 O\n0.268049 0.436875 0.835996 O\n0.768049 0.563125 0.164004 O\n0.471168 0.796126 0.355217 O\n0.782272 0.123170 0.394208 O\n0.971168 0.203874 0.644783 O\n0.282272 0.876830 0.605792 O\n0.079476 0.796929 0.357192 O\n0.275358 0.470000 0.507583 O\n0.678429 0.711387 0.920752 O\n0.178429 0.288613 0.079248 O\n0.775358 0.530000 0.492417 O\n0.266091 0.057696 0.879540 O\n",
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{
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"structure_string": "K2 Co2 P2 C2 O14\n1.0\n6.083593 0.000000 0.000000\n0.000000 5.281263 0.000000\n0.000000 0.298628 9.920724\nK Co P C O\n2 2 2 2 14\ndirect\n0.597420 0.755414 0.762277 K\n0.097420 0.244586 0.237723 K\n0.229422 0.225709 0.650357 Co\n0.729422 0.774291 0.349643 Co\n0.734568 0.278908 0.556459 P\n0.234568 0.721092 0.443541 P\n0.251075 0.280240 0.885964 C\n0.751075 0.719760 0.114036 C\n0.778457 0.687788 0.993306 O\n0.241387 0.060811 0.826186 O\n0.231976 0.463608 0.792040 O\n0.925025 0.223964 0.660184 O\n0.539561 0.230771 0.657481 O\n0.238159 0.892296 0.564300 O\n0.735100 0.562988 0.513499 O\n0.235100 0.437012 0.486501 O\n0.738159 0.107704 0.435700 O\n0.039561 0.769229 0.342519 O\n0.425025 0.776036 0.339816 O\n0.731976 0.536392 0.207960 O\n0.741387 0.939189 0.173814 O\n0.278457 0.312212 0.006694 O\n",
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{
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}