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{
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"results": [
{
"id": "mp-758559",
"created_at": "2022-09-04T14:43:17.989811Z",
"structure_string": "Li6 Fe10 O24\n1.0\n5.024712 0.000000 0.000000\n-2.509211 -4.358528 0.000000\n-1.515348 0.074959 -20.108458\nLi Fe O\n6 10 24\ndirect\n0.656639 0.816318 0.498257 Li\n0.623360 0.497765 0.375049 Li\n0.895828 0.811600 0.252333 Li\n0.487603 0.503877 0.998385 Li\n0.121291 0.500589 0.875164 Li\n0.407038 0.820310 0.751912 Li\n0.537182 0.829681 0.124983 Fe\n0.871110 0.496054 0.124890 Fe\n0.204421 0.162629 0.125382 Fe\n0.294455 0.840091 0.374835 Fe\n0.963969 0.179230 0.374943 Fe\n0.039726 0.829339 0.625014 Fe\n0.373087 0.495374 0.624984 Fe\n0.706209 0.162533 0.624994 Fe\n0.803259 0.841469 0.874955 Fe\n0.462964 0.171652 0.874887 Fe\n0.204127 0.808952 0.175271 O\n0.542170 0.176678 0.074933 O\n0.204560 0.515790 0.074333 O\n0.644565 0.134475 0.426324 O\n0.699966 0.829530 0.675956 O\n0.620130 0.877676 0.324556 O\n0.974644 0.514856 0.325236 O\n0.009059 0.167474 0.574807 O\n0.670311 0.490391 0.574423 O\n0.575827 0.519525 0.176196 O\n0.865400 0.148815 0.175033 O\n0.155158 0.151248 0.925168 O\n0.290160 0.517065 0.424584 O\n0.124179 0.868163 0.824833 O\n0.006237 0.878558 0.425342 O\n0.833177 0.806853 0.074036 O\n0.485012 0.512961 0.824852 O\n0.237472 0.132979 0.323313 O\n0.071051 0.491616 0.675636 O\n0.409380 0.168676 0.675252 O\n0.774010 0.506351 0.926198 O\n0.516723 0.868368 0.925252 O\n0.379169 0.828198 0.574113 O\n0.741918 0.130976 0.823677 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.710653704934618,
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"volume": 440.3822268160233,
"volume_molar": 6.630109395220848,
"formula_full": "Li6 Fe10 O24",
"formula_reduced": "Li3Fe5O12",
"formula_anonymous": "A3B5C12",
"energy": -272.90907899,
"energy_per_atom": -6.82272697475,
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"energy_uncorrected": -233.86107899,
"band_gap": 0.0,
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"total_magnetization": 38.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.485000Z",
"spacegroup": 1
},
{
"id": "mp-1216980",
"created_at": "2022-09-04T14:43:17.996132Z",
"structure_string": "U4 Cu1 Te12\n1.0\n4.219038 6.092676 0.000000\n-4.219038 6.092676 0.000000\n0.000000 4.432636 10.393439\nU Cu Te\n4 1 12\ndirect\n0.808365 0.808365 0.839415 U\n0.312426 0.312426 0.840608 U\n0.689997 0.193075 0.159304 U\n0.193075 0.689997 0.159304 U\n0.813972 0.813972 0.534351 Cu\n0.009053 0.009053 0.324809 Te\n0.500942 0.500942 0.329650 Te\n0.487488 0.995253 0.672726 Te\n0.995253 0.487488 0.672726 Te\n0.257854 0.257854 0.334700 Te\n0.754241 0.754241 0.331274 Te\n0.244090 0.741478 0.668505 Te\n0.741478 0.244090 0.668505 Te\n0.022937 0.022937 0.939660 Te\n0.523499 0.523499 0.937704 Te\n0.478176 0.978453 0.060579 Te\n0.978453 0.478176 0.060579 Te\n",
"nsites": 17,
"nelements": 3,
"elements": [
"U",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-U",
"density": 7.914867739163723,
"density_atomic": 0.031815454641441705,
"volume": 534.3315125177055,
"volume_molar": 18.928350475796027,
"formula_full": "U4 Cu1 Te12",
"formula_reduced": "U4CuTe12",
"formula_anonymous": "AB4C12",
"energy": -100.69015136,
"energy_per_atom": -5.92295008,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:15.187000Z",
"spacegroup": 8
},
{
"id": "mp-1373337",
"created_at": "2022-09-04T14:43:08.738252Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.140057 0.000000 0.000000\n-1.817284 5.539796 0.000000\n-0.932938 -3.086075 9.821329\nLi Mn Co O\n9 2 5 16\ndirect\n0.378571 0.806193 0.122157 Li\n0.122912 0.940480 0.371838 Li\n0.881377 0.070960 0.620509 Li\n0.624292 0.199955 0.881489 Li\n0.378718 0.319601 0.123948 Li\n0.124982 0.434660 0.372837 Li\n0.878260 0.558796 0.623000 Li\n0.610085 0.671399 0.884673 Li\n0.999468 0.495977 0.002141 Li\n0.005679 0.001135 0.002196 Mn\n0.243112 0.874830 0.752261 Mn\n0.752666 0.122020 0.248777 Co\n0.493764 0.252403 0.498233 Co\n0.245639 0.381526 0.751022 Co\n0.751966 0.614694 0.250344 Co\n0.500311 0.750178 0.500225 Co\n0.707842 0.671821 0.065818 O\n0.485641 0.781614 0.312530 O\n0.197555 0.926449 0.569062 O\n0.967266 0.037540 0.813705 O\n0.720733 0.140148 0.066078 O\n0.433577 0.273631 0.323279 O\n0.206233 0.431840 0.568153 O\n0.971180 0.544069 0.803475 O\n0.076172 0.967777 0.173451 O\n0.786794 0.071081 0.435626 O\n0.525058 0.221928 0.683703 O\n0.299311 0.329843 0.930050 O\n0.016478 0.451065 0.197895 O\n0.795231 0.575340 0.434258 O\n0.522625 0.723013 0.689594 O\n0.296502 0.858034 0.927675 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.292954720366958,
"density_atomic": 0.11442423336739624,
"volume": 279.6610390847329,
"volume_molar": 5.262994195175385,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -176.79809059,
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"updated_at": "2021-11-28T01:36:11.068000Z",
"spacegroup": 1
},
{
"id": "mp-686230",
"created_at": "2022-09-04T14:43:12.934105Z",
"structure_string": "Li40 Nb38 O120\n1.0\n4.629614 0.013148 3.152843\n3.339804 8.657528 6.323009\n0.023747 0.128197 56.181348\nLi Nb O\n40 38 120\ndirect\n0.301899 0.135655 0.027101 Li\n0.270952 0.648327 0.027381 Li\n0.273143 0.135362 0.130047 Li\n0.782252 0.391885 0.078347 Li\n0.305782 0.134700 0.226943 Li\n0.282874 0.640102 0.127981 Li\n0.768890 0.392383 0.178727 Li\n0.788225 0.885460 0.078010 Li\n0.280195 0.140800 0.328225 Li\n0.272017 0.649005 0.227267 Li\n0.781329 0.392583 0.278330 Li\n0.796877 0.903447 0.178564 Li\n0.283497 0.639114 0.328319 Li\n0.282232 0.140444 0.428029 Li\n0.781298 0.390904 0.378000 Li\n0.788349 0.886281 0.277911 Li\n0.281687 0.140635 0.528118 Li\n0.281695 0.640780 0.428107 Li\n0.781166 0.390830 0.478128 Li\n0.781148 0.890998 0.378199 Li\n0.281338 0.140647 0.628149 Li\n0.281703 0.640635 0.528106 Li\n0.781263 0.390706 0.578142 Li\n0.781244 0.890813 0.478106 Li\n0.280615 0.140690 0.728217 Li\n0.281366 0.640633 0.628148 Li\n0.781298 0.390439 0.678199 Li\n0.781274 0.890708 0.578140 Li\n0.280496 0.640745 0.728224 Li\n0.279600 0.141234 0.828226 Li\n0.781505 0.389903 0.778295 Li\n0.781259 0.890443 0.678208 Li\n0.273791 0.134247 0.930153 Li\n0.279484 0.640801 0.828291 Li\n0.783802 0.389736 0.878055 Li\n0.781812 0.889931 0.778239 Li\n0.282098 0.642196 0.927657 Li\n0.769450 0.391697 0.978925 Li\n0.782959 0.889397 0.878221 Li\n0.799978 0.903750 0.978127 Li\n0.001343 0.503770 0.998650 Nb\n0.000671 0.995226 0.100593 Nb\n0.502239 0.254476 0.049803 Nb\n0.996390 0.497460 0.100825 Nb\n0.500727 0.249953 0.150208 Nb\n0.487216 0.748384 0.052126 Nb\n0.002071 0.504382 0.198527 Nb\n0.998426 0.998615 0.300355 Nb\n0.505707 0.252709 0.249910 Nb\n0.498097 0.754350 0.149828 Nb\n0.998514 0.000493 0.400037 Nb\n0.000511 0.499824 0.300040 Nb\n0.499011 0.251031 0.350019 Nb\n0.495535 0.750115 0.251569 Nb\n0.998984 0.500455 0.400161 Nb\n0.999226 0.000472 0.500097 Nb\n0.500264 0.250295 0.450027 Nb\n0.501133 0.749121 0.350004 Nb\n0.999209 0.000237 0.600129 Nb\n0.998957 0.500449 0.500106 Nb\n0.499679 0.250459 0.550037 Nb\n0.499641 0.750531 0.450009 Nb\n0.999362 -0.000016 0.700129 Nb\n0.999207 0.500248 0.600129 Nb\n0.499196 0.250509 0.650063 Nb\n0.499729 0.750479 0.550037 Nb\n-0.000647 0.999804 0.800088 Nb\n0.999370 0.500022 0.700121 Nb\n0.498900 0.250553 0.750015 Nb\n0.499221 0.750506 0.650063 Nb\n0.001165 0.998513 0.900045 Nb\n-0.000186 0.499595 0.800067 Nb\n0.498062 0.250257 0.850163 Nb\n0.498744 0.750591 0.750032 Nb\n0.996685 0.499461 0.900372 Nb\n0.498042 0.750355 0.849976 Nb\n0.502000 0.250737 0.949636 Nb\n0.499340 0.755117 0.949557 Nb\n0.125618 0.174880 0.071246 O\n0.352582 0.364473 0.011180 O\n0.667140 0.058352 0.041369 O\n0.209999 0.433694 0.060979 O\n0.609688 0.114705 0.086256 O\n0.107957 0.679624 0.071983 O\n0.112987 0.204298 0.168209 O\n0.865175 0.303180 0.021653 O\n0.418063 0.840367 0.010911 O\n0.361066 0.358459 0.110992 O\n0.709207 0.558504 0.035490 O\n0.729766 0.056988 0.135034 O\n0.222370 0.436199 0.160645 O\n0.215723 0.934569 0.060315 O\n0.551574 0.107443 0.187200 O\n0.606572 0.603565 0.087495 O\n0.119679 0.176389 0.271849 O\n0.113032 0.680721 0.171720 O\n0.872913 0.303698 0.121326 O\n0.860343 0.785741 0.022942 O\n0.349859 0.365872 0.211528 O\n0.366790 0.856549 0.110426 O\n0.661677 0.059269 0.241552 O\n0.720202 0.552056 0.136127 O\n0.225729 0.932617 0.157282 O\n0.207367 0.431572 0.261827 O\n0.606813 0.114742 0.286728 O\n0.608814 0.609130 0.186335 O\n0.105252 0.679737 0.272592 O\n0.109328 0.178916 0.372142 O\n0.865423 0.302191 0.222043 O\n0.869991 0.804870 0.121183 O\n0.359916 0.358162 0.311340 O\n0.418522 0.832632 0.211657 O\n0.706784 0.559174 0.235540 O\n0.722585 0.054305 0.335868 O\n0.220022 0.429033 0.361200 O\n0.212794 0.934222 0.260811 O\n0.609915 0.108997 0.385932 O\n0.606970 0.602727 0.287787 O\n0.109907 0.179239 0.472082 O\n0.109363 0.679484 0.372145 O\n0.862149 0.786395 0.223218 O\n0.860203 0.301849 0.322548 O\n0.358264 0.360098 0.411108 O\n0.359520 0.858685 0.311201 O\n0.720125 0.055060 0.435829 O\n0.719980 0.554594 0.336123 O\n0.221534 0.927916 0.361133 O\n0.220670 0.428833 0.461088 O\n0.610257 0.609852 0.385909 O\n0.610218 0.109788 0.485852 O\n0.110119 0.179189 0.572034 O\n0.109604 0.679204 0.472095 O\n0.858989 0.304836 0.422140 O\n0.861010 0.804766 0.321929 O\n0.357955 0.859725 0.411153 O\n0.358504 0.359905 0.511075 O\n0.720425 0.554794 0.435876 O\n0.720647 0.054970 0.535816 O\n0.220644 0.429029 0.561028 O\n0.220438 0.928927 0.461097 O\n0.610280 0.109888 0.585822 O\n0.610189 0.609729 0.485861 O\n0.110605 0.179123 0.671958 O\n0.110141 0.679186 0.572034 O\n0.858672 0.804486 0.422136 O\n0.858745 0.304866 0.522079 O\n0.358839 0.359970 0.611001 O\n0.358533 0.859944 0.511069 O\n0.720888 0.054986 0.635779 O\n0.720582 0.554966 0.535817 O\n0.220614 0.429256 0.660944 O\n0.220637 0.929024 0.561032 O\n0.610245 0.110052 0.685786 O\n0.610271 0.609897 0.585821 O\n0.110606 0.679147 0.671957 O\n0.111308 0.179050 0.771803 O\n0.858843 0.804853 0.522087 O\n0.858697 0.305069 0.622025 O\n0.359353 0.359908 0.710888 O\n0.358821 0.859971 0.611004 O\n0.721138 0.055007 0.735754 O\n0.720860 0.554999 0.635783 O\n0.220293 0.429560 0.760802 O\n0.220656 0.929251 0.660937 O\n0.610460 0.110283 0.785743 O\n0.610287 0.610034 0.685788 O\n0.114649 0.178642 0.871479 O\n0.111292 0.678907 0.771816 O\n0.858533 0.305365 0.721912 O\n0.858705 0.805082 0.622023 O\n0.359364 0.859914 0.710878 O\n0.360532 0.359575 0.810711 O\n0.722698 0.054727 0.835693 O\n0.721184 0.554981 0.735751 O\n0.220337 0.929514 0.760802 O\n0.221480 0.430446 0.860437 O\n0.612590 0.110424 0.885651 O\n0.610294 0.610335 0.785756 O\n0.116020 0.200425 0.969232 O\n0.113642 0.678875 0.871604 O\n0.858145 0.305836 0.821730 O\n0.858452 0.805378 0.721909 O\n0.360412 0.859701 0.810736 O\n0.361641 0.359898 0.910795 O\n0.728655 0.057226 0.935050 O\n0.722404 0.554688 0.835725 O\n0.224322 0.436133 0.960262 O\n0.221970 0.930172 0.860483 O\n0.550111 0.107146 0.987237 O\n0.611198 0.610205 0.885642 O\n0.113818 0.679996 0.971667 O\n0.873295 0.305354 0.921115 O\n0.858300 0.805690 0.821742 O\n0.366265 0.857400 0.910230 O\n0.721651 0.552388 0.935849 O\n0.224605 0.932813 0.957222 O\n0.609552 0.609574 0.986219 O\n0.868607 0.805140 0.921206 O\n",
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"Nb",
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],
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"density": 4.234354521605624,
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"volume": 2246.2892658090323,
"volume_molar": 6.832055629484367,
"formula_full": "Li40 Nb38 O120",
"formula_reduced": "Li20Nb19O60",
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"energy": -1600.9879687200005,
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"updated_at": "2021-11-28T01:36:12.770000Z",
"spacegroup": 1
},
{
"id": "mp-26252",
"created_at": "2022-09-04T14:43:12.998481Z",
"structure_string": "V2 P4 O14\n1.0\n-0.003495 0.004290 4.545764\n6.144012 5.002657 0.000002\n-4.065650 4.993221 1.291204\nV P O\n2 4 14\ndirect\n0.000001 0.616229 0.499998 V\n0.000000 0.116180 0.000000 V\n0.415475 0.462681 0.796271 P\n0.415500 0.962641 0.296278 P\n0.584526 0.462681 0.203728 P\n0.584500 0.962641 0.703723 P\n0.500000 0.548201 0.000000 O\n0.499999 0.048122 0.500000 O\n0.708120 0.443730 0.637289 O\n0.708057 0.943605 0.137258 O\n0.291881 0.443730 0.362711 O\n0.291942 0.943605 0.862742 O\n0.804487 0.591449 0.270839 O\n0.804311 0.091482 0.770668 O\n0.195513 0.591448 0.729162 O\n0.195688 0.091482 0.229332 O\n0.733872 0.293512 0.143374 O\n0.733875 0.793421 0.643310 O\n0.266128 0.293512 0.856627 O\n0.266125 0.793422 0.356689 O\n",
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"elements": [
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},
{
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