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{
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{
"id": "mp-25455",
"created_at": "2022-09-04T14:41:24.994580Z",
"structure_string": "Li8 Cr4 P4 C4 O28\n1.0\n-5.020285 6.389122 -0.137933\n-5.020277 -6.389116 -0.137936\n-4.716277 0.000005 8.333923\nLi Cr P C O\n8 4 4 4 28\ndirect\n0.726264 0.724808 0.774147 Li\n0.226265 0.224808 0.774147 Li\n0.773735 0.775191 0.225854 Li\n0.273734 0.275191 0.225854 Li\n0.525192 0.023735 0.225853 Li\n0.025191 0.523734 0.225854 Li\n0.974807 0.476263 0.774148 Li\n0.474809 0.976265 0.774146 Li\n0.307850 0.557849 0.343610 Cr\n0.192150 0.942150 0.656391 Cr\n0.807854 0.057856 0.343624 Cr\n0.692143 0.442142 0.656377 Cr\n0.054123 0.804123 0.419300 P\n0.554123 0.304124 0.419300 P\n0.445877 0.695878 0.580700 P\n0.945877 0.195877 0.580700 P\n0.482237 0.732237 0.058515 C\n0.982237 0.232237 0.058515 C\n0.017764 0.767764 0.941485 C\n0.517764 0.267764 0.941485 C\n0.334312 0.584312 0.119588 O\n0.834313 0.084315 0.119584 O\n0.165688 0.915689 0.880412 O\n0.665688 0.415686 0.880416 O\n0.971992 0.721992 0.832127 O\n0.471991 0.221991 0.832129 O\n0.528008 0.778008 0.167872 O\n0.028009 0.278009 0.167871 O\n0.584926 0.834926 0.412847 O\n0.084928 0.334929 0.412846 O\n0.915074 0.665074 0.587153 O\n0.415072 0.165072 0.587154 O\n0.198165 0.948163 0.441828 O\n0.698164 0.448163 0.441827 O\n0.301835 0.551838 0.558172 O\n0.801836 0.051838 0.558173 O\n0.070782 0.320782 0.912354 O\n0.570783 0.820783 0.912353 O\n0.429219 0.179219 0.087646 O\n0.929218 0.679218 0.087647 O\n0.545473 0.603540 0.676236 O\n0.045474 0.103540 0.676235 O\n0.353539 0.795474 0.676235 O\n0.853539 0.295472 0.676237 O\n0.146462 0.704526 0.323765 O\n0.646462 0.204528 0.323763 O\n0.954527 0.896462 0.323764 O\n0.454526 0.396461 0.323765 O\n",
"nsites": 48,
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"elements": [
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"Cr",
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"C",
"O"
],
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"volume": 542.9367599340017,
"volume_molar": 6.811753316876846,
"formula_full": "Li8 Cr4 P4 C4 O28",
"formula_reduced": "Li2CrPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -367.42674371,
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"updated_at": "2021-11-28T01:35:18.288000Z",
"spacegroup": 11
},
{
"id": "mp-767214",
"created_at": "2022-09-04T14:41:28.604351Z",
"structure_string": "Li4 Al2 P2 C2 O14\n1.0\n6.191535 0.000000 0.000000\n0.000000 5.019407 0.000000\n0.000000 0.547077 8.352012\nLi Al P C O\n4 2 2 2 14\ndirect\n0.016744 0.774087 0.789308 Li\n0.483256 0.774087 0.789308 Li\n0.516744 0.225913 0.210692 Li\n0.983256 0.225913 0.210692 Li\n0.250000 0.209174 0.654290 Al\n0.750000 0.790826 0.345710 Al\n0.750000 0.276651 0.573782 P\n0.250000 0.723349 0.426218 P\n0.250000 0.266587 0.938553 C\n0.750000 0.733413 0.061447 C\n0.750000 0.696722 0.912959 O\n0.250000 0.031257 0.879364 O\n0.250000 0.464438 0.825692 O\n0.949335 0.189588 0.673188 O\n0.550665 0.189588 0.673188 O\n0.250000 0.856883 0.589493 O\n0.750000 0.584314 0.536226 O\n0.250000 0.415686 0.463774 O\n0.750000 0.143117 0.410507 O\n0.449335 0.810412 0.326812 O\n0.050665 0.810412 0.326812 O\n0.750000 0.535562 0.174308 O\n0.750000 0.968743 0.120636 O\n0.250000 0.303278 0.087041 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Al",
"P",
"C",
"O"
],
"chemical_system": "Al-C-Li-O-P",
"density": 2.5058038247745555,
"density_atomic": 0.09246329968304526,
"volume": 259.5624435021197,
"volume_molar": 6.513006544913802,
"formula_full": "Li4 Al2 P2 C2 O14",
"formula_reduced": "Li2AlPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -177.40679735,
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"energy_above_hull": null,
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"energy_uncorrected": -167.78879735,
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"updated_at": "2021-11-28T01:35:22.916000Z",
"spacegroup": 11
},
{
"id": "mp-780530",
"created_at": "2022-09-04T14:41:22.198112Z",
"structure_string": "Na4 Mn2 P2 C2 O14\n1.0\n6.640821 0.000000 0.000000\n0.000000 5.234384 0.000000\n0.000000 0.198073 9.002969\nNa Mn P C O\n4 2 2 2 14\ndirect\n0.506103 0.767625 0.765481 Na\n0.993897 0.767625 0.765481 Na\n0.493897 0.232375 0.234519 Na\n0.006103 0.232375 0.234519 Na\n0.250000 0.223733 0.641932 Mn\n0.750000 0.776267 0.358068 Mn\n0.750000 0.293414 0.574864 P\n0.250000 0.706586 0.425136 P\n0.250000 0.280071 0.921077 C\n0.750000 0.719929 0.078923 C\n0.750000 0.724745 0.939889 O\n0.250000 0.064519 0.845001 O\n0.250000 0.483183 0.836055 O\n0.938635 0.216142 0.665691 O\n0.561365 0.216142 0.665691 O\n0.250000 0.830502 0.579366 O\n0.750000 0.595272 0.551810 O\n0.250000 0.404728 0.448190 O\n0.750000 0.169498 0.420634 O\n0.438635 0.783858 0.334309 O\n0.061365 0.783858 0.334309 O\n0.750000 0.516817 0.163945 O\n0.750000 0.935481 0.154999 O\n0.250000 0.275255 0.060111 O\n",
"nsites": 24,
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"elements": [
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"Mn",
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],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.7156426070903747,
"density_atomic": 0.07668989320460085,
"volume": 312.94866894612096,
"volume_molar": 7.852587229367422,
"formula_full": "Na4 Mn2 P2 C2 O14",
"formula_reduced": "Na2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -177.72655120000002,
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"updated_at": "2021-11-28T01:35:14.471000Z",
"spacegroup": 11
},
{
"id": "mp-768200",
"created_at": "2022-09-04T14:40:39.015035Z",
"structure_string": "Li4 Ho2 P2 C2 O14\n1.0\n6.774727 0.000000 0.000000\n0.000000 4.922174 0.000000\n0.000000 0.435060 8.978860\nLi Ho P C O\n4 2 2 2 14\ndirect\n0.983628 0.792261 0.793516 Li\n0.516372 0.792261 0.793516 Li\n0.483628 0.207739 0.206484 Li\n0.016372 0.207739 0.206484 Li\n0.250000 0.253503 0.640039 Ho\n0.750000 0.746497 0.359961 Ho\n0.750000 0.277354 0.590165 P\n0.250000 0.722646 0.409835 P\n0.250000 0.260683 0.943301 C\n0.750000 0.739317 0.056699 C\n0.750000 0.720778 0.916528 O\n0.250000 0.026895 0.878816 O\n0.250000 0.478626 0.851183 O\n0.935161 0.146297 0.663154 O\n0.564839 0.146297 0.663154 O\n0.250000 0.764427 0.582743 O\n0.750000 0.591228 0.602963 O\n0.250000 0.408772 0.397037 O\n0.750000 0.235573 0.417257 O\n0.435161 0.853703 0.336846 O\n0.064839 0.853703 0.336846 O\n0.750000 0.521374 0.148817 O\n0.750000 0.973105 0.121184 O\n0.250000 0.279222 0.083472 O\n",
"nsites": 24,
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"elements": [
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"Ho",
"P",
"C",
"O"
],
"chemical_system": "C-Ho-Li-O-P",
"density": 3.7024211042768114,
"density_atomic": 0.08015696783982379,
"volume": 299.41252328754206,
"volume_molar": 7.5129348356014845,
"formula_full": "Li4 Ho2 P2 C2 O14",
"formula_reduced": "Li2HoPCO7",
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"energy": -182.13117379,
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"updated_at": "2021-11-28T01:35:07.702000Z",
"spacegroup": 11
},
{
"id": "mp-774717",
"created_at": "2022-09-04T14:40:35.856819Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n6.547839 0.000000 0.000000\n0.131840 10.352870 0.000000\n0.095132 5.096855 9.063126\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.258953 0.340729 0.577948 Na\n0.261557 0.841953 0.077054 Na\n0.012840 0.994613 0.741764 Na\n0.485683 0.495232 0.241109 Na\n0.989526 0.506525 0.756605 Na\n0.989142 0.006373 0.256421 Na\n0.723070 0.158572 0.921525 Na\n0.741121 0.658864 0.422525 Na\n0.745766 0.719222 0.934760 Fe\n0.753850 0.218921 0.435010 Fe\n0.264442 0.780552 0.565323 Fe\n0.264293 0.280674 0.065310 Fe\n0.248213 0.642209 0.933491 P\n0.250711 0.142423 0.433343 P\n0.753216 0.857194 0.566800 P\n0.754671 0.357312 0.066657 P\n0.750779 0.333155 0.602758 C\n0.755631 0.832943 0.103052 C\n0.238336 0.167328 0.897624 C\n0.246668 0.667355 0.397475 C\n0.233804 0.110426 0.813544 O\n0.258236 0.610711 0.313230 O\n0.763381 0.913920 0.958213 O\n0.728229 0.413707 0.458805 O\n0.756014 0.189467 0.653431 O\n0.734648 0.690292 0.153184 O\n0.062248 0.728384 0.949210 O\n0.438986 0.714590 0.959049 O\n0.061825 0.217168 0.463074 O\n0.438496 0.225839 0.445247 O\n0.754509 0.849956 0.718885 O\n0.744785 0.349690 0.218869 O\n0.250612 0.976012 0.554628 O\n0.248322 0.475977 0.054989 O\n0.764452 0.523535 0.945086 O\n0.763174 0.023381 0.445072 O\n0.246101 0.650453 0.781097 O\n0.240128 0.151100 0.280991 O\n0.564919 0.781277 0.545156 O\n0.940677 0.773815 0.548042 O\n0.941806 0.273287 0.049927 O\n0.565709 0.282375 0.042908 O\n0.243683 0.310724 0.846742 O\n0.243210 0.810822 0.346810 O\n0.242313 0.585861 0.542079 O\n0.244164 0.086041 0.042217 O\n0.766107 0.390177 0.685728 O\n0.766074 0.888864 0.187234 O\n",
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"density": 2.776357936340521,
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"formula_full": "Na8 Fe4 P4 C4 O28",
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"spacegroup": 1
},
{
"id": "mp-768120",
"created_at": "2022-09-04T14:40:39.929350Z",
"structure_string": "Na4 Ga2 P2 C2 O14\n1.0\n6.525623 0.000000 0.000000\n0.000000 5.175180 0.000000\n0.000000 0.072925 8.964045\nNa Ga P C O\n4 2 2 2 14\ndirect\n0.503105 0.766916 0.772087 Na\n0.996895 0.766916 0.772087 Na\n0.496895 0.233084 0.227913 Na\n0.003105 0.233084 0.227913 Na\n0.250000 0.221810 0.648298 Ga\n0.750000 0.778190 0.351702 Ga\n0.750000 0.285497 0.572733 P\n0.250000 0.714503 0.427267 P\n0.250000 0.268954 0.922796 C\n0.750000 0.731046 0.077204 C\n0.750000 0.699485 0.938099 O\n0.250000 0.043550 0.857475 O\n0.250000 0.464837 0.825725 O\n0.941452 0.212072 0.665003 O\n0.558548 0.212072 0.665003 O\n0.250000 0.855814 0.580230 O\n0.750000 0.586042 0.541260 O\n0.250000 0.413958 0.458740 O\n0.750000 0.144186 0.419770 O\n0.441452 0.787928 0.334997 O\n0.058548 0.787928 0.334997 O\n0.750000 0.535163 0.174275 O\n0.750000 0.956450 0.142525 O\n0.250000 0.300515 0.061901 O\n",
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"density": 2.96953389291314,
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"formula_full": "Na4 Ga2 P2 C2 O14",
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"energy": -166.38711716999998,
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"spacegroup": 11
},
{
"id": "mp-1575892",
"created_at": "2022-09-04T14:40:34.250073Z",
"structure_string": "Li8 Co4 C4 S4 O28\n1.0\n0.348531 -0.001511 4.976613\n17.815152 0.014677 0.735034\n0.004371 6.445188 -0.003689\nLi Co C S O\n8 4 4 4 28\ndirect\n0.211072 0.091943 0.514911 Li\n0.215000 0.592670 0.515745 Li\n0.211481 0.091898 0.983366 Li\n0.215514 0.592321 0.983393 Li\n0.789109 0.408242 0.485144 Li\n0.786201 0.907679 0.485170 Li\n0.789391 0.408577 0.016408 Li\n0.785945 0.907857 0.016559 Li\n0.775779 0.676663 0.752105 Co\n0.229971 0.823973 0.250207 Co\n0.766250 0.175806 0.748932 Co\n0.234119 0.324126 0.251197 Co\n0.727549 0.035227 0.749917 C\n0.730534 0.535788 0.749269 C\n0.272528 0.464781 0.250294 C\n0.270248 0.964472 0.250133 C\n0.750501 0.205649 0.249616 S\n0.745472 0.706430 0.249743 S\n0.249935 0.294179 0.750537 S\n0.250940 0.793298 0.749995 S\n0.297471 0.034725 0.249454 O\n0.299172 0.535079 0.249858 O\n0.703835 0.465493 0.750331 O\n0.700466 0.964939 0.750474 O\n0.963913 0.060736 0.749487 O\n0.967959 0.561001 0.750309 O\n0.036329 0.439142 0.250768 O\n0.033717 0.938950 0.250376 O\n0.518502 0.087639 0.749696 O\n0.521187 0.587911 0.747006 O\n0.481786 0.412407 0.250289 O\n0.479037 0.912029 0.250626 O\n0.147255 0.219259 0.751426 O\n0.153289 0.717614 0.754426 O\n0.853356 0.280490 0.248834 O\n0.845716 0.781719 0.245164 O\n0.449008 0.217476 0.251152 O\n0.443947 0.717562 0.251612 O\n0.551479 0.282375 0.748987 O\n0.552095 0.782480 0.746147 O\n0.845967 0.160037 0.065062 O\n0.842396 0.660409 0.066306 O\n0.849152 0.160150 0.434243 O\n0.848326 0.662483 0.435257 O\n0.151143 0.339594 0.565887 O\n0.147136 0.837828 0.565402 O\n0.154361 0.339756 0.935050 O\n0.154461 0.839139 0.933731 O\n",
"nsites": 48,
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"elements": [
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"S",
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],
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"formula_full": "Li8 Co4 C4 S4 O28",
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},
{
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