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{
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"results": [
{
"id": "mp-1293121",
"created_at": "2022-09-04T14:40:56.774718Z",
"structure_string": "Li2 V2 P2 O10\n1.0\n-0.852491 -0.008571 5.042295\n-0.005960 5.969008 -0.010957\n-7.437388 -2.977031 0.167935\nLi V P O\n2 2 2 10\ndirect\n0.052144 0.861852 0.724844 Li\n0.943049 0.136245 0.275674 Li\n0.500693 0.780890 0.998135 V\n0.500227 0.241558 0.004524 V\n0.721887 0.358246 0.718753 P\n0.279361 0.643096 0.281586 P\n0.334233 0.916510 0.888470 O\n0.670422 0.031402 0.107133 O\n0.422108 0.420869 0.837665 O\n0.580152 0.590173 0.167239 O\n0.755700 0.275439 0.517221 O\n0.237755 0.756116 0.483380 O\n0.822477 0.174020 0.794602 O\n0.820794 0.622239 0.813465 O\n0.177832 0.380596 0.201393 O\n0.181164 0.810751 0.185917 O\n",
"nsites": 16,
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"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5134591961477186,
"density_atomic": 0.07171388885077662,
"volume": 223.10880439482304,
"volume_molar": 8.39745390538082,
"formula_full": "Li2 V2 P2 O10",
"formula_reduced": "LiVPO5",
"formula_anonymous": "ABCD5",
"energy": -123.43818769,
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"updated_at": "2021-11-28T01:34:57.657000Z",
"spacegroup": 5
},
{
"id": "mp-1201718",
"created_at": "2022-09-04T14:40:57.446519Z",
"structure_string": "K8 Mo10 H8 Se4 O46\n1.0\n0.000000 -10.286066 0.000000\n-9.478837 5.143033 2.787765\n-0.048789 0.000000 -12.185918\nK Mo H Se O\n8 10 8 4 46\ndirect\n0.986600 0.648802 0.227502 K\n0.337798 0.351198 0.772498 K\n0.337148 0.981801 0.753109 K\n0.355347 0.018199 0.246891 K\n0.745174 0.358718 0.907452 K\n0.386456 0.641282 0.092548 K\n0.922245 0.628805 0.591526 K\n0.293440 0.371195 0.408474 K\n0.690631 0.000000 0.000000 Mo\n0.739041 0.706473 0.896896 Mo\n0.032568 0.293527 0.103104 Mo\n0.101414 0.802328 0.961141 Mo\n0.299085 0.197672 0.038859 Mo\n0.642336 0.710783 0.380769 Mo\n0.931553 0.289217 0.619231 Mo\n0.369531 0.801936 0.445673 Mo\n0.567594 0.198064 0.554327 Mo\n0.981162 0.000000 0.500000 Mo\n0.956802 0.426461 0.366422 H\n0.530341 0.573539 0.633578 H\n0.792315 0.392528 0.361022 H\n0.399787 0.607472 0.638978 H\n0.715636 0.333566 0.156939 H\n0.382070 0.666434 0.843061 H\n0.633135 0.421933 0.166090 H\n0.211202 0.578067 0.833910 H\n0.980739 0.019260 0.830152 Se\n0.961479 0.980740 0.169848 Se\n0.679722 0.960601 0.663851 Se\n0.719120 0.039399 0.336149 Se\n0.892812 0.470333 0.371747 O\n0.422479 0.529667 0.628253 O\n0.167108 0.117388 0.855810 O\n0.049720 0.882612 0.144190 O\n0.721582 0.417716 0.141267 O\n0.303866 0.582284 0.858733 O\n0.918499 0.113255 0.933720 O\n0.805244 0.886745 0.066280 O\n0.958803 0.879912 0.885218 O\n0.078892 0.120088 0.114782 O\n0.494198 0.860573 0.627984 O\n0.633625 0.139427 0.372016 O\n0.749694 0.880583 0.556238 O\n0.869111 0.119417 0.443762 O\n0.710056 0.113349 0.626168 O\n0.596707 0.886651 0.373832 O\n0.891688 0.667427 0.951598 O\n0.224262 0.332573 0.048402 O\n0.663777 0.836233 0.877546 O\n0.827544 0.163767 0.122454 O\n0.181055 0.737487 0.041163 O\n0.443568 0.262513 0.958837 O\n0.590161 0.589762 0.950794 O\n0.000400 0.410238 0.049206 O\n0.849383 0.845040 0.368792 O\n0.004344 0.154960 0.631208 O\n0.668746 0.595474 0.440573 O\n0.073272 0.404526 0.559427 O\n0.138014 0.747379 0.821955 O\n0.390635 0.252621 0.178045 O\n0.442296 0.665596 0.423262 O\n0.776700 0.334404 0.576738 O\n0.423472 0.000000 0.500000 O\n0.287527 0.767446 0.306147 O\n0.520081 0.232554 0.693853 O\n0.043114 0.915195 0.573448 O\n0.127920 0.084805 0.426552 O\n0.548975 0.926492 0.081200 O\n0.622483 0.073508 0.918800 O\n0.713392 0.620384 0.751267 O\n0.093008 0.379616 0.248733 O\n0.592690 0.624580 0.234840 O\n0.968110 0.375420 0.765160 O\n0.216864 0.727378 0.515455 O\n0.489486 0.272622 0.484545 O\n0.250255 0.000000 0.000000 O\n",
"nsites": 76,
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"elements": [
"K",
"Mo",
"H",
"Se",
"O"
],
"chemical_system": "H-K-Mo-O-Se",
"density": 3.255483892115868,
"density_atomic": 0.06389103061245466,
"volume": 1189.5253413737369,
"volume_molar": 9.425643478078547,
"formula_full": "K8 Mo10 H8 Se4 O46",
"formula_reduced": "K4Mo5H4Se2O23",
"formula_anonymous": "A2B4C4D5E23",
"energy": -525.84547004,
"energy_per_atom": -6.919019342631579,
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"energy_uncorrected": -462.22347004,
"band_gap": 2.913,
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"updated_at": "2021-11-28T01:35:01.048000Z",
"spacegroup": 5
},
{
"id": "mp-1174782",
"created_at": "2022-09-04T14:40:57.901925Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n9.907967 2.603310 0.000000\n-9.907967 2.603310 0.000000\n0.000000 1.970550 4.797324\nLi Mn Co O\n8 2 4 14\ndirect\n0.928634 0.071366 0.500000 Li\n0.357816 0.642184 0.500000 Li\n0.786585 0.213415 0.500000 Li\n0.212390 0.787610 0.500000 Li\n0.641514 0.358486 0.500000 Li\n0.072536 0.927464 0.500000 Li\n0.501196 0.498804 0.500000 Li\n0.572106 0.427894 0.000000 Li\n0.000179 0.999821 0.000000 Mn\n0.285198 0.714802 0.000000 Mn\n0.429245 0.570755 0.000000 Co\n0.857270 0.142730 0.000000 Co\n0.712457 0.287543 0.000000 Co\n0.143026 0.856974 0.000000 Co\n0.700459 0.842240 0.232750 O\n0.127498 0.412774 0.228211 O\n0.565965 0.993526 0.227883 O\n0.988170 0.565596 0.233467 O\n0.392781 0.098326 0.209248 O\n0.855517 0.710753 0.233311 O\n0.240205 0.247533 0.211382 O\n0.157760 0.299541 0.767250 O\n0.587226 0.872502 0.771789 O\n0.006474 0.434035 0.772117 O\n0.434404 0.011830 0.766533 O\n0.901674 0.607219 0.790752 O\n0.289247 0.144483 0.766689 O\n0.752467 0.759795 0.788618 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.194487372935518,
"density_atomic": 0.11314061808263305,
"volume": 247.4796450161692,
"volume_molar": 5.322704491150727,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.94592415,
"energy_per_atom": -6.533783005357143,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:09.463000Z",
"spacegroup": 5
},
{
"id": "mp-765352",
"created_at": "2022-09-04T14:40:58.109582Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n4.892302 8.446253 0.000000\n-4.892302 8.446253 0.000000\n0.000000 0.034863 13.881712\nLi V P O\n6 6 16 58\ndirect\n0.908821 0.316731 0.195198 Li\n0.323671 0.902030 0.688526 Li\n0.770880 0.910110 0.192936 Li\n0.089890 0.229120 0.807064 Li\n0.683269 0.091179 0.804802 Li\n0.097970 0.676329 0.311474 Li\n0.431087 0.004045 0.492690 V\n0.561839 0.002894 0.000838 V\n0.997106 0.438161 0.999162 V\n0.995955 0.568913 0.507310 V\n0.568245 0.431755 0.500000 V\n0.433308 0.566692 0.000000 V\n0.769230 0.315173 0.905881 P\n0.912309 0.318126 0.408256 P\n0.315240 0.769077 0.406358 P\n0.661226 0.668510 0.622961 P\n0.665427 0.667389 0.122642 P\n0.315716 0.912270 0.908812 P\n0.225891 0.085931 0.095467 P\n0.914069 0.774109 0.904533 P\n0.088301 0.226860 0.592113 P\n0.773140 0.911699 0.407887 P\n0.681874 0.087691 0.591744 P\n0.331490 0.338774 0.377039 P\n0.332611 0.334573 0.877358 P\n0.684827 0.230770 0.094119 P\n0.087730 0.684284 0.091188 P\n0.230923 0.684760 0.593642 P\n0.765942 0.239779 0.181508 O\n0.743167 0.343440 0.415681 O\n0.006488 0.238399 0.684520 O\n0.915598 0.339593 0.909937 O\n0.617398 0.476540 0.926075 O\n0.664831 0.519987 0.576705 O\n0.475643 0.617220 0.425087 O\n0.237921 0.766846 0.681593 O\n0.341543 0.743839 0.914305 O\n0.816976 0.513972 0.079663 O\n0.907198 0.477166 0.429467 O\n0.519914 0.666301 0.076203 O\n0.664811 0.668059 0.730087 O\n0.673505 0.663608 0.229402 O\n0.512601 0.818726 0.581758 O\n0.905811 0.619243 0.928083 O\n0.814172 0.666568 0.577993 O\n0.343255 0.912621 0.414089 O\n0.203276 0.005610 0.997789 O\n0.238442 0.997793 0.183743 O\n0.245919 0.999474 0.817084 O\n0.477622 0.904647 0.928397 O\n0.669861 0.817203 0.081109 O\n0.257576 0.081467 0.588370 O\n0.619556 0.902806 0.426530 O\n0.918533 0.742424 0.411630 O\n0.001751 0.205608 0.499960 O\n0.994370 0.246368 0.316538 O\n0.000526 0.754081 0.182916 O\n0.082651 0.257435 0.088178 O\n0.380757 0.094189 0.071917 O\n0.742565 0.917349 0.911822 O\n0.333432 0.185828 0.422007 O\n0.522833 0.092802 0.570533 O\n0.753632 0.005630 0.683462 O\n0.761601 0.993512 0.315480 O\n0.794392 0.998249 0.500040 O\n0.660407 0.084402 0.090063 O\n0.182797 0.330139 0.918891 O\n0.097194 0.380444 0.573470 O\n0.486028 0.183024 0.920337 O\n0.336392 0.326495 0.770598 O\n0.331941 0.335189 0.269913 O\n0.480013 0.335169 0.423295 O\n0.095353 0.522378 0.071603 O\n0.181274 0.487399 0.418242 O\n0.656560 0.256833 0.584319 O\n0.792171 0.207829 0.000000 O\n0.760221 0.234058 0.818492 O\n0.523460 0.382602 0.073925 O\n0.333699 0.480086 0.923797 O\n0.382780 0.524357 0.574913 O\n0.087379 0.656745 0.585911 O\n0.002207 0.761558 0.816257 O\n0.994390 0.796724 0.002211 O\n0.256161 0.658457 0.085695 O\n0.233154 0.762079 0.318407 O\n0.206228 0.793772 0.500000 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5631743422347943,
"density_atomic": 0.07496319380632051,
"volume": 1147.2296687651124,
"volume_molar": 8.0334634294787,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -655.7659830800001,
"energy_per_atom": -7.625185849767442,
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"updated_at": "2021-11-28T01:35:10.983000Z",
"spacegroup": 5
},
{
"id": "mp-1177917",
"created_at": "2022-09-04T14:40:58.313301Z",
"structure_string": "Li32 Mn11 Cr5 O48\n1.0\n4.340028 2.516356 0.000000\n-4.340028 2.516356 0.000000\n0.000000 1.423591 38.451600\nLi Mn Cr O\n32 11 5 48\ndirect\n0.911785 0.464031 0.937456 Li\n0.000087 0.873942 0.687363 Li\n0.932785 0.809439 0.875046 Li\n0.871424 0.749705 0.062404 Li\n0.815037 0.684888 0.249992 Li\n0.749981 0.623711 0.437449 Li\n0.687445 0.562592 0.625002 Li\n0.960186 0.160036 0.812420 Li\n0.627896 0.503117 0.812492 Li\n0.839964 0.039814 0.187580 Li\n0.710531 0.909155 0.562487 Li\n0.562578 0.437422 0.000000 Li\n0.496883 0.372104 0.187508 Li\n0.588172 0.783274 0.937764 Li\n0.460624 0.659166 0.312581 Li\n0.787363 0.341009 0.312737 Li\n0.658991 0.212637 0.687263 Li\n0.340834 0.539376 0.687419 Li\n0.216726 0.411828 0.062236 Li\n0.535969 0.088215 0.062544 Li\n0.409091 0.962780 0.437354 Li\n0.437408 0.312555 0.374998 Li\n0.286839 0.837323 0.812587 Li\n0.162677 0.713161 0.187413 Li\n0.376289 0.250019 0.562551 Li\n0.037220 0.590909 0.562646 Li\n0.315112 0.184963 0.750008 Li\n0.250295 0.128576 0.937596 Li\n0.190561 0.067215 0.124954 Li\n0.126058 0.999913 0.312637 Li\n0.065101 0.934899 0.500000 Li\n0.090845 0.289469 0.437513 Li\n0.895182 0.104818 0.000000 Mn\n0.770440 0.979525 0.374983 Mn\n0.645027 0.855032 0.750025 Mn\n0.520833 0.729063 0.125031 Mn\n0.394989 0.605011 0.500000 Mn\n0.270937 0.479167 0.874969 Mn\n0.354693 0.895333 0.625017 Mn\n0.229393 0.770607 0.000000 Mn\n0.104667 0.645307 0.374983 Mn\n0.144968 0.354973 0.249975 Mn\n0.020475 0.229560 0.625017 Mn\n0.982749 0.517275 0.750013 Cr\n0.859277 0.400911 0.124973 Cr\n0.732761 0.267239 0.500000 Cr\n0.599089 0.140723 0.875027 Cr\n0.482725 0.017251 0.249987 Cr\n0.911643 0.429400 0.027968 O\n0.947694 0.464057 0.846951 O\n0.929149 0.804412 0.971542 O\n0.803903 0.679014 0.346545 O\n0.944916 0.820449 0.778422 O\n0.818674 0.690363 0.153382 O\n0.694537 0.570240 0.528447 O\n0.679892 0.555681 0.721560 O\n0.548635 0.430246 0.096091 O\n0.928888 0.163997 0.902891 O\n0.569754 0.451365 0.903909 O\n0.801205 0.038638 0.277907 O\n0.679649 0.911666 0.652892 O\n0.961362 0.198795 0.722093 O\n0.836003 0.071112 0.097109 O\n0.711708 0.948815 0.472088 O\n0.786579 0.304128 0.402982 O\n0.828201 0.344907 0.221564 O\n0.695872 0.213421 0.597018 O\n0.553941 0.786767 0.027897 O\n0.429624 0.661692 0.402889 O\n0.587515 0.813570 0.846754 O\n0.462134 0.698856 0.222161 O\n0.338308 0.570376 0.597111 O\n0.655093 0.171799 0.778436 O\n0.535943 0.052306 0.153049 O\n0.404903 0.921588 0.528417 O\n0.570600 0.088357 0.972032 O\n0.445824 0.963422 0.347017 O\n0.301144 0.537866 0.777839 O\n0.186430 0.412485 0.153246 O\n0.213233 0.446059 0.972103 O\n0.289780 0.806254 0.902845 O\n0.155208 0.671907 0.278393 O\n0.036578 0.554176 0.652983 O\n0.328093 0.844792 0.721607 O\n0.193746 0.710220 0.097155 O\n0.429760 0.305463 0.471553 O\n0.078412 0.595097 0.471583 O\n0.444319 0.320108 0.278440 O\n0.320986 0.196097 0.653455 O\n0.309637 0.181326 0.846618 O\n0.179551 0.055084 0.221578 O\n0.054011 0.929111 0.596555 O\n0.195588 0.070851 0.028458 O\n0.070889 0.945989 0.403445 O\n0.051185 0.288292 0.527912 O\n0.088334 0.320351 0.347108 O\n",
"nsites": 96,
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"elements": [
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"Mn",
"Cr",
"O"
],
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"density": 3.666395579452499,
"density_atomic": 0.11430420500870661,
"volume": 839.8641151713327,
"volume_molar": 5.268520750869393,
"formula_full": "Li32 Mn11 Cr5 O48",
"formula_reduced": "Li32Mn11Cr5O48",
"formula_anonymous": "A5B11C32D48",
"energy": -659.3726239399999,
"energy_per_atom": -6.868464832708333,
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"updated_at": "2021-11-28T01:35:25.611000Z",
"spacegroup": 5
},
{
"id": "mp-770841",
"created_at": "2022-09-04T14:40:58.567652Z",
"structure_string": "Li5 Cu5 Ni2 O12\n1.0\n4.215710 2.701996 0.000000\n-4.215710 2.701996 0.000000\n0.000000 0.560601 9.479179\nLi Cu Ni O\n5 5 2 12\ndirect\n0.840638 0.664723 0.257902 Li\n0.668229 0.847510 0.744166 Li\n0.335277 0.159362 0.742098 Li\n0.152490 0.331771 0.255834 Li\n0.082060 0.917940 0.500000 Li\n0.920090 0.079910 0.000000 Cu\n0.002825 0.507610 0.747851 Cu\n0.492390 0.997175 0.252149 Cu\n0.581329 0.418671 0.000000 Cu\n0.416600 0.583400 0.500000 Cu\n0.752520 0.247480 0.500000 Ni\n0.251251 0.748749 0.000000 Ni\n0.006017 0.205987 0.631816 O\n0.794013 0.993983 0.368184 O\n0.923706 0.422100 0.095592 O\n0.577900 0.076294 0.904408 O\n0.694652 0.512177 0.622580 O\n0.487823 0.305348 0.377420 O\n0.502485 0.686992 0.126844 O\n0.313008 0.497515 0.873156 O\n0.432392 0.920032 0.597331 O\n0.079968 0.567608 0.402669 O\n0.189661 0.997328 0.129111 O\n0.002672 0.810339 0.870889 O\n",
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