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{
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{
"id": "mp-770829",
"created_at": "2022-09-04T14:45:58.933832Z",
"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.434282 0.000000 0.000000\n0.000000 5.296498 0.000000\n0.000000 0.370976 9.054003\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.514888 0.761640 0.778949 Na\n0.014888 0.238360 0.221051 Na\n0.240597 0.220547 0.659829 Cr\n0.740597 0.779453 0.340171 Cr\n0.257713 0.275801 0.921757 C\n0.757713 0.724199 0.078243 C\n0.745287 0.276729 0.571830 S\n0.245287 0.723271 0.428170 S\n0.756839 0.693236 0.944658 O\n0.255078 0.053378 0.857857 O\n0.258777 0.463032 0.817235 O\n0.925764 0.217239 0.667193 O\n0.560255 0.197294 0.660626 O\n0.254536 0.861191 0.567356 O\n0.732416 0.554533 0.535582 O\n0.232416 0.445467 0.464418 O\n0.754536 0.138809 0.432644 O\n0.060255 0.802706 0.339374 O\n0.425764 0.782761 0.332807 O\n0.758777 0.536968 0.182765 O\n0.755078 0.946622 0.142143 O\n0.256839 0.306764 0.055342 O\n",
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"formula_full": "Na2 Cr2 C2 S2 O14",
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{
"id": "mp-767538",
"created_at": "2022-09-04T14:46:20.154349Z",
"structure_string": "Na2 Ce2 P2 C2 O14\n1.0\n7.043758 0.000000 0.000000\n0.000000 5.461328 0.000000\n0.000000 0.328153 9.623581\nNa Ce P C O\n2 2 2 2 14\ndirect\n0.520603 0.759995 0.791281 Na\n0.020603 0.240005 0.208719 Na\n0.231237 0.218225 0.653774 Ce\n0.731237 0.781775 0.346226 Ce\n0.736882 0.279814 0.574709 P\n0.236882 0.720186 0.425291 P\n0.267266 0.276797 0.932959 C\n0.767266 0.723203 0.067041 C\n0.745088 0.691116 0.942128 O\n0.268160 0.058595 0.874683 O\n0.285701 0.459474 0.837250 O\n0.914811 0.218335 0.662931 O\n0.558684 0.175855 0.649348 O\n0.256825 0.831969 0.572005 O\n0.716894 0.563102 0.551496 O\n0.216894 0.436898 0.448504 O\n0.756825 0.168031 0.427995 O\n0.058684 0.824145 0.350652 O\n0.414811 0.781665 0.337069 O\n0.785701 0.540526 0.162750 O\n0.768160 0.941405 0.125317 O\n0.245088 0.308884 0.057872 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.05942692897693745,
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"formula_full": "Na2 Ce2 P2 C2 O14",
"formula_reduced": "NaCePCO7",
"formula_anonymous": "ABCDE7",
"energy": -173.22847241,
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"updated_at": "2021-11-28T01:37:25.577000Z",
"spacegroup": 4
},
{
"id": "mp-768159",
"created_at": "2022-09-04T14:46:37.156107Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n6.548304 0.000000 0.000000\n0.000000 5.234350 0.000000\n0.000000 0.615862 8.935639\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.468759 0.765169 0.838405 Li\n0.968759 0.234831 0.161595 Li\n0.248275 0.211145 0.657616 Sn\n0.748275 0.788855 0.342384 Sn\n0.750988 0.269309 0.571492 P\n0.250988 0.730691 0.428508 P\n0.259810 0.272802 0.938347 C\n0.759810 0.727198 0.061653 C\n0.729873 0.690618 0.928338 O\n0.262279 0.042983 0.881211 O\n0.283320 0.463896 0.830555 O\n0.937151 0.197427 0.670204 O\n0.564426 0.170474 0.662549 O\n0.259347 0.848158 0.583341 O\n0.737922 0.566164 0.538822 O\n0.237922 0.433836 0.461178 O\n0.759347 0.151842 0.416659 O\n0.064426 0.829526 0.337451 O\n0.437151 0.802573 0.329796 O\n0.783320 0.536104 0.169445 O\n0.762279 0.957017 0.118789 O\n0.229873 0.309382 0.071662 O\n",
"nsites": 22,
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"elements": [
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],
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"volume": 306.2789903413561,
"volume_molar": 8.383887234846942,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
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"energy": -160.02472795,
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"spacegroup": 4
},
{
"id": "mp-779778",
"created_at": "2022-09-04T14:47:00.711802Z",
"structure_string": "Li6 Fe6 P6 C6 O42\n1.0\n5.153347 0.000000 0.000000\n-0.735467 8.361306 0.000000\n-0.025286 -0.082828 19.403035\nLi Fe P C O\n6 6 6 6 42\ndirect\n0.769221 0.892095 0.083549 Li\n0.768835 0.891611 0.417564 Li\n0.244913 0.718939 0.818630 Li\n0.226146 0.108620 0.917384 Li\n0.230899 0.108649 0.250173 Li\n0.232287 0.108611 0.585242 Li\n0.802423 0.663876 0.918962 Fe\n0.803244 0.668003 0.250599 Fe\n0.805652 0.668497 0.584105 Fe\n0.195347 0.333323 0.084077 Fe\n0.199708 0.333503 0.749453 Fe\n0.196489 0.332464 0.416554 Fe\n0.732608 0.575997 0.750548 P\n0.726616 0.577133 0.084085 P\n0.727925 0.577315 0.416891 P\n0.272183 0.423530 0.250159 P\n0.275915 0.425049 0.582024 P\n0.275485 0.420592 0.916779 P\n0.707763 0.957596 0.250264 C\n0.708627 0.956392 0.584459 C\n0.705333 0.954071 0.912940 C\n0.291939 0.042901 0.082865 C\n0.291875 0.042669 0.416517 C\n0.285567 0.043791 0.752435 C\n0.950038 0.926983 0.250466 O\n0.950350 0.924828 0.583426 O\n0.947794 0.924881 0.916665 O\n0.378892 0.907348 0.082596 O\n0.377269 0.906995 0.416776 O\n0.334512 0.900977 0.758690 O\n0.539286 0.831222 0.584700 O\n0.539223 0.831646 0.250589 O\n0.538525 0.826098 0.908966 O\n0.794788 0.687832 0.021238 O\n0.795731 0.691340 0.145633 O\n0.794945 0.689677 0.354929 O\n0.794913 0.690540 0.478914 O\n0.833217 0.681355 0.812691 O\n0.793465 0.678273 0.686529 O\n0.139427 0.578669 0.912175 O\n0.125278 0.575236 0.250356 O\n0.129195 0.576642 0.581445 O\n0.432435 0.521893 0.083884 O\n0.433972 0.520454 0.416682 O\n0.431569 0.532656 0.758855 O\n0.566172 0.479710 0.250021 O\n0.569808 0.479949 0.579780 O\n0.570993 0.474003 0.917753 O\n0.872509 0.425065 0.084361 O\n0.868331 0.419045 0.748654 O\n0.874680 0.425183 0.416548 O\n0.204473 0.310353 0.187980 O\n0.205342 0.310555 0.312024 O\n0.204326 0.309115 0.521115 O\n0.217801 0.317211 0.645721 O\n0.208690 0.307974 0.854788 O\n0.196273 0.314442 0.979369 O\n0.459006 0.169554 0.082641 O\n0.466356 0.161297 0.749140 O\n0.460053 0.168618 0.416541 O\n0.618299 0.089681 0.914975 O\n0.622400 0.093569 0.249753 O\n0.625018 0.092592 0.583859 O\n0.049406 0.072548 0.083313 O\n0.052972 0.091292 0.749017 O\n0.049749 0.073287 0.416192 O\n",
"nsites": 66,
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"elements": [
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],
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"density": 2.595121961327884,
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"volume": 836.0517713473961,
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"formula_full": "Li6 Fe6 P6 C6 O42",
"formula_reduced": "LiFePCO7",
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"updated_at": "2021-11-28T01:37:50.061000Z",
"spacegroup": 1
},
{
"id": "mp-770237",
"created_at": "2022-09-04T14:40:25.452681Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.232254 0.000000 0.000000\n0.000000 8.373659 0.000000\n0.000000 0.748157 10.202424\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.530570 0.743300 0.876525 Li\n0.969430 0.743300 0.376525 Li\n0.030570 0.256700 0.623475 Li\n0.469430 0.256700 0.123475 Li\n0.252270 0.670044 0.602909 Mn\n0.247730 0.670044 0.102909 Mn\n0.752270 0.329956 0.897091 Mn\n0.747730 0.329956 0.397091 Mn\n0.753192 0.573799 0.637839 P\n0.746808 0.573799 0.137839 P\n0.253192 0.426201 0.862161 P\n0.246808 0.426201 0.362161 P\n0.250486 0.949378 0.644927 C\n0.249514 0.949378 0.144927 C\n0.750487 0.050622 0.855073 C\n0.749514 0.050622 0.355073 C\n0.243561 0.894796 0.527478 O\n0.735645 0.909458 0.830543 O\n0.256439 0.894796 0.027478 O\n0.272457 0.827792 0.735381 O\n0.764355 0.909458 0.330543 O\n0.227543 0.827792 0.235381 O\n0.942329 0.687988 0.597764 O\n0.556037 0.672329 0.590897 O\n0.943963 0.672329 0.090897 O\n0.557671 0.687988 0.097764 O\n0.277297 0.585356 0.928440 O\n0.740831 0.534471 0.789025 O\n0.222703 0.585356 0.428440 O\n0.759169 0.534471 0.289025 O\n0.240831 0.465529 0.710975 O\n0.777297 0.414644 0.571560 O\n0.259169 0.465529 0.210975 O\n0.722703 0.414644 0.071560 O\n0.056037 0.327671 0.909103 O\n0.442329 0.312012 0.902236 O\n0.443963 0.327671 0.409103 O\n0.057671 0.312012 0.402236 O\n0.772457 0.172208 0.764619 O\n0.235645 0.090542 0.669457 O\n0.727543 0.172208 0.264619 O\n0.743561 0.105204 0.972522 O\n0.264355 0.090542 0.169457 O\n0.756439 0.105204 0.472522 O\n",
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"formula_full": "Li4 Mn4 P4 C4 O28",
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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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"formula_full": "Na2 Si2 Sb2 C2 O14",
"formula_reduced": "NaSiSbCO7",
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{
"id": "mp-1176692",
"created_at": "2022-09-04T14:44:53.246570Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n5.122810 0.000000 0.000000\n0.257360 6.309424 0.000000\n0.231529 0.699545 8.661375\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.295959 0.117467 0.728746 Li\n0.816936 0.601040 0.182181 Li\n0.891601 0.849988 0.616901 Fe\n0.305451 0.370973 0.323865 Fe\n0.798976 0.366095 0.544750 P\n0.414118 0.869647 0.389438 P\n0.380346 0.382219 0.016840 C\n0.791713 0.874126 0.902511 C\n0.023163 0.847173 0.839231 O\n0.602816 0.897637 0.805743 O\n0.370754 0.327500 0.880982 O\n0.936270 0.168952 0.628239 O\n0.815400 0.551375 0.647097 O\n0.508432 0.319343 0.514387 O\n0.253122 0.837397 0.542214 O\n0.940289 0.422458 0.384634 O\n0.705691 0.895009 0.429460 O\n0.317618 0.069815 0.290641 O\n0.405312 0.672792 0.294334 O\n0.765572 0.871305 0.046637 O\n0.596975 0.391771 0.086825 O\n0.169441 0.424444 0.096180 O\n",
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{
"id": "mp-768127",
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"structure_string": "Na2 Sn2 P2 C2 O14\n1.0\n6.614185 0.000000 0.000000\n0.000000 5.320214 0.000000\n0.000000 0.390542 9.328917\nNa Sn P C O\n2 2 2 2 14\ndirect\n0.520185 0.760927 0.784178 Na\n0.020185 0.239073 0.215822 Na\n0.235589 0.217907 0.657539 Sn\n0.735589 0.782093 0.342461 Sn\n0.743083 0.274526 0.567676 P\n0.243083 0.725474 0.432324 P\n0.258845 0.275529 0.924476 C\n0.758845 0.724471 0.075524 C\n0.754328 0.692253 0.945803 O\n0.256463 0.050793 0.864044 O\n0.263575 0.466948 0.823248 O\n0.926086 0.212186 0.664276 O\n0.556131 0.193581 0.656614 O\n0.255565 0.861793 0.576096 O\n0.732300 0.564737 0.531220 O\n0.232300 0.435263 0.468780 O\n0.755565 0.138207 0.423904 O\n0.056131 0.806419 0.343386 O\n0.426086 0.787814 0.335724 O\n0.763575 0.533052 0.176752 O\n0.756463 0.949207 0.135956 O\n0.254328 0.307747 0.054197 O\n",
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"formula_full": "Na2 Sn2 P2 C2 O14",
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{
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{
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]
}