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"results": [
{
"id": "mp-680547",
"created_at": "2022-09-04T14:46:06.227549Z",
"structure_string": "Ba42 Ir24 Pd9 O99\n1.0\n5.104136 -8.840623 0.000000\n5.104136 8.840623 0.000000\n0.000000 0.000000 30.789150\nBa Ir Pd O\n42 24 9 99\ndirect\n0.000000 0.349756 0.000000 Ba\n0.999700 0.649661 0.359521 Ba\n0.015375 0.333124 0.570632 Ba\n0.670507 0.000000 0.500000 Ba\n0.000300 0.649961 0.640479 Ba\n0.681533 0.667579 0.710677 Ba\n0.998417 0.667853 0.784373 Ba\n0.667579 0.681533 0.289323 Ba\n0.318467 0.986046 0.289323 Ba\n0.331119 0.315415 0.070304 Ba\n0.013954 0.332421 0.289323 Ba\n0.330564 0.332147 0.215627 Ba\n0.668881 0.984296 0.929696 Ba\n0.649661 0.999700 0.640479 Ba\n0.997651 0.329561 0.143709 Ba\n0.667853 0.998417 0.215627 Ba\n0.350039 0.350339 0.640479 Ba\n0.666876 0.682250 0.570632 Ba\n0.350339 0.350039 0.359521 Ba\n0.669436 0.001583 0.784373 Ba\n0.332421 0.013954 0.710677 Ba\n0.001583 0.669436 0.215627 Ba\n0.331910 0.002349 0.143709 Ba\n0.650244 0.650244 0.000000 Ba\n0.317750 0.984625 0.570632 Ba\n0.002349 0.331910 0.856291 Ba\n0.668090 0.670439 0.856291 Ba\n0.649961 0.000300 0.359521 Ba\n0.329493 0.329493 0.500000 Ba\n0.349756 0.000000 0.000000 Ba\n0.986046 0.318467 0.710677 Ba\n0.015704 0.684585 0.929696 Ba\n0.332147 0.330564 0.784373 Ba\n0.329561 0.997651 0.856291 Ba\n0.984296 0.668881 0.070304 Ba\n0.684585 0.015704 0.070304 Ba\n0.682250 0.666876 0.429368 Ba\n0.315415 0.331119 0.929696 Ba\n0.333124 0.015375 0.429368 Ba\n0.670439 0.668090 0.143709 Ba\n0.984625 0.317750 0.429368 Ba\n0.000000 0.670507 0.500000 Ba\n0.000000 0.000000 0.902876 Ir\n0.666667 0.333333 0.752882 Ir\n0.666667 0.333333 0.028259 Ir\n0.000000 0.000000 0.180600 Ir\n0.000000 0.000000 0.819400 Ir\n0.000000 0.000000 0.097124 Ir\n0.666667 0.333333 0.669935 Ir\n0.333333 0.666667 0.971741 Ir\n0.333333 0.666667 0.163041 Ir\n0.333333 0.666667 0.610246 Ir\n0.666667 0.333333 0.389754 Ir\n0.333333 0.666667 0.888599 Ir\n0.000000 0.000000 0.263581 Ir\n0.333333 0.666667 0.330065 Ir\n0.666667 0.333333 0.111401 Ir\n0.666667 0.333333 0.195309 Ir\n0.000000 0.000000 0.736419 Ir\n0.333333 0.666667 0.247118 Ir\n0.666667 0.333333 0.476953 Ir\n0.666667 0.333333 0.836959 Ir\n0.333333 0.666667 0.804691 Ir\n0.000000 0.000000 0.457076 Ir\n0.333333 0.666667 0.523047 Ir\n0.000000 0.000000 0.542924 Ir\n0.000000 0.000000 0.360293 Pd\n0.000000 0.000000 0.639707 Pd\n0.666667 0.333333 0.292365 Pd\n0.333333 0.666667 0.425975 Pd\n0.666667 0.333333 0.932912 Pd\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666667 0.707635 Pd\n0.333333 0.666667 0.067088 Pd\n0.666667 0.333333 0.574025 Pd\n0.152372 0.160311 0.418205 O\n0.000000 0.158332 0.500000 O\n0.833619 0.342788 0.070726 O\n0.184705 0.670296 0.123453 O\n0.676801 0.183403 0.989151 O\n0.847628 0.007939 0.581795 O\n0.342788 0.833619 0.929274 O\n0.340305 0.508064 0.287617 O\n0.821252 0.339056 0.516291 O\n0.676079 0.494708 0.631222 O\n0.517805 0.178748 0.516291 O\n0.491936 0.832241 0.287617 O\n0.838791 0.997823 0.859736 O\n0.509169 0.166381 0.070726 O\n0.332756 0.824968 0.206458 O\n0.832241 0.491936 0.712383 O\n0.181371 0.505292 0.368778 O\n0.660944 0.482195 0.516291 O\n0.659695 0.167759 0.712383 O\n0.179096 0.520372 0.765303 O\n0.485590 0.815295 0.123453 O\n0.494708 0.676079 0.368778 O\n0.505292 0.181371 0.631222 O\n0.175032 0.507788 0.206458 O\n0.000790 0.160644 0.220516 O\n0.161209 0.159032 0.140264 O\n0.479628 0.658724 0.765303 O\n0.327748 0.505209 0.848397 O\n0.183403 0.676801 0.010849 O\n0.658724 0.479628 0.234697 O\n0.506602 0.323199 0.989151 O\n0.657212 0.490831 0.070726 O\n0.160644 0.000790 0.779484 O\n0.493398 0.816597 0.010849 O\n0.490831 0.657212 0.929274 O\n0.007313 0.157750 0.057726 O\n0.820904 0.341276 0.234697 O\n0.182683 0.508867 0.649919 O\n0.491133 0.673816 0.649919 O\n0.007939 0.847628 0.418205 O\n0.841668 0.841668 0.500000 O\n0.177461 0.672252 0.848397 O\n0.323921 0.818629 0.368778 O\n0.159032 0.161209 0.859736 O\n0.514410 0.329704 0.876547 O\n0.326184 0.817317 0.649919 O\n0.492212 0.667244 0.206458 O\n0.505209 0.327748 0.151603 O\n0.006867 0.848414 0.697481 O\n0.818629 0.323921 0.631222 O\n0.329704 0.514410 0.123453 O\n0.840145 0.839356 0.779484 O\n0.827161 0.490381 0.433190 O\n0.158453 0.151586 0.302519 O\n0.509619 0.336781 0.433190 O\n0.667244 0.492212 0.793542 O\n0.178748 0.517805 0.483709 O\n0.339056 0.821252 0.483709 O\n0.840968 0.002177 0.140264 O\n0.663219 0.172839 0.433190 O\n0.507788 0.175032 0.793542 O\n0.336781 0.509619 0.566810 O\n0.817317 0.326184 0.350081 O\n0.158332 0.000000 0.500000 O\n0.166381 0.509169 0.929274 O\n0.673816 0.491133 0.350081 O\n0.815295 0.485590 0.876547 O\n0.849563 0.842250 0.942274 O\n0.341276 0.820904 0.765303 O\n0.508064 0.340305 0.712383 O\n0.848414 0.006867 0.302519 O\n0.159855 0.999210 0.220516 O\n0.157750 0.007313 0.942274 O\n0.841547 0.993133 0.697481 O\n0.992061 0.839689 0.581795 O\n0.824968 0.332756 0.793542 O\n0.672252 0.177461 0.151603 O\n0.323199 0.506602 0.010849 O\n0.508867 0.182683 0.350081 O\n0.670296 0.184705 0.876547 O\n0.167759 0.659695 0.287617 O\n0.494791 0.822539 0.848397 O\n0.520372 0.179096 0.234697 O\n0.839356 0.840145 0.220516 O\n0.997823 0.838791 0.140264 O\n0.150437 0.992687 0.057726 O\n0.999210 0.159855 0.779484 O\n0.490381 0.827161 0.566810 O\n0.002177 0.840968 0.859736 O\n0.993133 0.841547 0.302519 O\n0.160311 0.152372 0.581795 O\n0.822539 0.494791 0.151603 O\n0.151586 0.158453 0.697481 O\n0.842250 0.849563 0.057726 O\n0.172839 0.663219 0.566810 O\n0.482195 0.660944 0.483709 O\n0.992687 0.150437 0.942274 O\n0.816597 0.493398 0.989151 O\n0.839689 0.992061 0.418205 O\n",
"nsites": 174,
"nelements": 4,
"elements": [
"Ba",
"Ir",
"Pd",
"O"
],
"chemical_system": "Ba-Ir-O-Pd",
"density": 7.722684616047156,
"density_atomic": 0.06262048754956291,
"volume": 2778.643329186512,
"volume_molar": 9.616885775974822,
"formula_full": "Ba42 Ir24 Pd9 O99",
"formula_reduced": "Ba14Ir8(PdO11)3",
"formula_anonymous": "A3B8C14D33",
"energy": -1193.2787080199998,
"energy_per_atom": -6.857923609310344,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1125.26570802,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 12.5443398,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.397000Z",
"spacegroup": 150
},
{
"id": "mp-685514",
"created_at": "2022-09-04T14:48:05.782770Z",
"structure_string": "K14 Mo72 S88\n1.0\n7.912681 -0.000057 10.568535\n-0.035048 18.735920 49.393509\n-0.017485 -0.000056 24.696774\nK Mo S\n14 72 88\ndirect\n0.052581 -0.000001 0.052634 K\n0.052621 0.249981 0.052644 K\n0.449210 -0.000005 0.449252 K\n0.447244 0.250198 0.447011 K\n0.552618 0.250012 0.552581 K\n0.947753 0.000013 0.947118 K\n0.052651 0.750012 0.052575 K\n0.447779 0.499985 0.447162 K\n0.552577 0.499997 0.552633 K\n0.947255 0.249816 0.947774 K\n0.447035 0.749852 0.447799 K\n0.552665 0.749970 0.552656 K\n0.949200 0.500015 0.949214 K\n0.947036 0.750147 0.947211 K\n0.026567 0.045122 0.176974 Mo\n0.355977 0.037044 0.028346 Mo\n0.250048 0.083723 0.082561 Mo\n0.143084 0.037194 0.323390 Mo\n0.471691 0.044945 0.143731 Mo\n0.028144 0.294782 0.176790 Mo\n0.176896 0.167324 0.357475 Mo\n0.357325 0.287054 0.027287 Mo\n0.082519 0.208229 0.417281 Mo\n0.250214 0.333524 0.082780 Mo\n0.418267 0.207881 0.250051 Mo\n0.142084 0.287322 0.324412 Mo\n0.323319 0.167750 0.472169 Mo\n0.472391 0.294988 0.143598 Mo\n0.675415 0.081669 0.528759 Mo\n0.583033 0.041855 0.749879 Mo\n0.917200 0.041793 0.582869 Mo\n0.028642 0.544899 0.175647 Mo\n0.175440 0.418347 0.355407 Mo\n0.355410 0.536687 0.028675 Mo\n0.823658 0.082149 0.643495 Mo\n0.083036 0.458143 0.417292 Mo\n0.250235 0.583608 0.082722 Mo\n0.417194 0.458213 0.250030 Mo\n0.143604 0.537031 0.323669 Mo\n0.323666 0.417859 0.472066 Mo\n0.473797 0.545475 0.142194 Mo\n0.528150 0.205226 0.855897 Mo\n0.676926 0.332668 0.526773 Mo\n0.857311 0.212956 0.675497 Mo\n0.582521 0.291777 0.750173 Mo\n0.750221 0.166479 0.916862 Mo\n0.918265 0.292117 0.581577 Mo\n0.027326 0.795358 0.175722 Mo\n0.176630 0.668098 0.355984 Mo\n0.642081 0.212685 0.973692 Mo\n0.357499 0.787541 0.026662 Mo\n0.823338 0.332247 0.643157 Mo\n0.972393 0.205026 0.823514 Mo\n0.082856 0.708325 0.416869 Mo\n0.249975 0.834166 0.081634 Mo\n0.417214 0.708022 0.250350 Mo\n0.143593 0.787128 0.323702 Mo\n0.324299 0.667149 0.473569 Mo\n0.472289 0.794962 0.143298 Mo\n0.526546 0.454875 0.857475 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"nsites": 174,
"nelements": 3,
"elements": [
"K",
"Mo",
"S"
],
"chemical_system": "K-Mo-S",
"density": 4.656439969939946,
"density_atomic": 0.0474785295913488,
"volume": 3664.8144223848294,
"volume_molar": 12.683924316597436,
"formula_full": "K14 Mo72 S88",
"formula_reduced": "K7(Mo9S11)4",
"formula_anonymous": "A7B36C44",
"energy": -1337.54499873,
"energy_per_atom": -7.687040222586208,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1293.28099873,
"band_gap": 0.0,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:38:25.263000Z",
"spacegroup": 7
},
{
"id": "mp-695172",
"created_at": "2022-09-04T14:46:17.334751Z",
"structure_string": "Cs1 Mg12 Al25 Si29 O108\n1.0\n-9.839643 0.000000 0.000000\n4.887377 8.680838 0.000000\n0.004010 -0.000068 -28.367305\nCs Mg Al Si O\n1 12 25 29 108\ndirect\n0.004723 0.009454 0.083347 Cs\n0.329767 0.659636 0.916339 Mg\n0.330395 0.665141 0.416773 Mg\n0.328812 0.658490 0.749997 Mg\n0.330379 0.665130 0.583248 Mg\n0.329113 0.659796 0.250252 Mg\n0.331659 0.664003 0.083337 Mg\n0.665773 0.331805 0.916397 Mg\n0.666708 0.332559 0.750029 Mg\n0.667123 0.329862 0.583158 Mg\n0.667088 0.329755 0.416847 Mg\n0.666536 0.331500 0.250221 Mg\n0.661846 0.323307 0.083271 Mg\n0.266355 0.898789 0.499991 Al\n0.499952 0.999874 0.083441 Al\n0.500189 0.496841 0.916720 Al\n0.499269 0.500015 0.583553 Al\n0.501052 0.497645 0.250663 Al\n0.500717 0.497063 0.749569 Al\n0.499295 0.500040 0.416478 Al\n0.500926 0.497441 0.083182 Al\n0.377482 0.266524 0.833153 Al\n0.379019 0.264936 0.167081 Al\n0.996753 0.497572 0.916251 Al\n0.995937 0.496924 0.582639 Al\n0.996570 0.497221 0.750136 Al\n0.995927 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0.999878 Si\n0.268265 0.379540 0.333412 Si\n0.897358 0.631147 0.833211 Si\n0.892225 0.626831 0.500000 Si\n0.895818 0.629569 0.167118 Si\n0.376159 0.270201 0.500004 Si\n0.500181 0.999351 0.915669 Si\n0.502209 0.999829 0.583920 Si\n0.499279 0.999349 0.250708 Si\n0.213273 0.912948 0.001111 O\n0.215922 0.909086 0.666541 O\n0.215773 0.909090 0.333550 O\n0.083865 0.765808 0.833228 O\n0.070548 0.763322 0.499995 O\n0.079504 0.769593 0.168323 O\n0.353759 0.868550 0.881375 O\n0.353920 0.869120 0.784665 O\n0.358906 0.870746 0.551426 O\n0.358860 0.870723 0.448589 O\n0.352085 0.869886 0.216727 O\n0.347391 0.856852 0.120822 O\n0.517857 0.869972 0.949876 O\n0.520028 0.871987 0.619543 O\n0.516429 0.868488 0.284627 O\n0.516652 0.869086 0.715885 O\n0.520131 0.872003 0.380621 O\n0.509522 0.856977 0.045836 O\n0.133309 0.650644 0.713934 O\n0.133019 0.651107 0.047202 O\n0.134151 0.651811 0.952484 O\n0.132528 0.649029 0.380865 O\n0.132489 0.649024 0.619191 O\n0.133238 0.650524 0.286185 O\n0.693258 0.909345 0.833216 O\n0.694171 0.910082 0.500010 O\n0.699403 0.912995 0.165580 O\n0.690270 0.769621 0.998332 O\n0.682543 0.764289 0.666561 O\n0.682769 0.764226 0.333551 O\n0.141544 0.493033 0.879928 O\n0.141914 0.489663 0.546885 O\n0.141530 0.492642 0.213339 O\n0.141175 0.493019 0.786658 O\n0.141941 0.489664 0.453128 O\n0.140283 0.490412 0.119823 O\n0.516469 0.650439 0.880537 O\n0.514097 0.651475 0.547322 O\n0.517619 0.651785 0.214215 O\n0.516590 0.650318 0.785902 O\n0.514114 0.651500 0.452687 O\n0.517939 0.651307 0.119478 O\n0.350904 0.492763 0.953375 O\n0.351981 0.493272 0.713125 O\n0.350190 0.492928 0.619783 O\n0.350221 0.493016 0.380242 O\n0.351712 0.493500 0.286889 O\n0.349985 0.490656 0.046840 O\n0.774486 0.695352 0.833260 O\n0.763936 0.685412 0.499996 O\n0.775498 0.697502 0.166270 O\n0.081722 0.311524 0.001077 O\n0.085213 0.315822 0.666868 O\n0.085115 0.315739 0.333154 O\n0.921830 0.697324 0.000415 O\n0.919452 0.693446 0.666005 O\n0.919598 0.693561 0.334059 O\n0.231203 0.315541 0.833276 O\n0.229414 0.310966 0.165624 O\n0.238518 0.317928 0.500005 O\n0.658703 0.522732 0.952747 O\n0.658144 0.523115 0.713106 O\n0.656403 0.520937 0.618789 O\n0.658473 0.523342 0.286993 O\n0.660364 0.527697 0.047229 O\n0.656437 0.520916 0.381286 O\n0.494645 0.348682 0.883245 O\n0.486295 0.348989 0.547436 O\n0.494333 0.348146 0.217389 O\n0.495060 0.348675 0.783048 O\n0.486273 0.348982 0.452572 O\n0.493739 0.349449 0.116912 O\n0.866144 0.525714 0.880285 O\n0.858958 0.516238 0.546617 O\n0.864372 0.523135 0.213954 O\n0.866042 0.525455 0.786207 O\n0.858956 0.516278 0.453379 O\n0.867886 0.528136 0.119428 O\n0.307513 0.241228 0.999313 O\n0.318481 0.247795 0.666388 O\n0.318307 0.248003 0.333644 O\n0.300211 0.067525 0.833181 O\n0.308908 0.088778 0.499997 O\n0.294146 0.063536 0.165658 O\n0.854032 0.348707 0.716946 O\n0.856146 0.348830 0.383382 O\n0.854359 0.348838 0.283307 O\n0.854118 0.347964 0.949294 O\n0.856187 0.348846 0.616689 O\n0.855979 0.349434 0.049783 O\n0.481846 0.124026 0.616664 O\n0.475715 0.119225 0.948205 O\n0.477572 0.120163 0.283801 O\n0.477751 0.119454 0.716710 O\n0.481751 0.124029 0.383451 O\n0.486102 0.133991 0.047652 O\n0.642766 0.120592 0.882854 O\n0.641961 0.120172 0.783261 O\n0.644976 0.122523 0.550530 O\n0.645035 0.122550 0.449507 O\n0.643351 0.119481 0.218337 O\n0.647964 0.133979 0.118994 O\n0.930026 0.248195 0.833280 O\n0.934724 0.241495 0.500007 O\n0.933684 0.241439 0.167356 O\n0.769025 0.063505 0.001016 O\n0.769591 0.068119 0.667710 O\n0.769744 0.068015 0.332445 O\n",
"nsites": 175,
"nelements": 5,
"elements": [
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"Mg",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Cs-Mg-O-Si",
"density": 2.495586114718589,
"density_atomic": 0.07222357423828754,
"volume": 2423.0315633870705,
"volume_molar": 8.338192651794172,
"formula_full": "Cs1 Mg12 Al25 Si29 O108",
"formula_reduced": "CsMg12Al25Si29O108",
"formula_anonymous": "AB12C25D29E108",
"energy": -1384.3103509,
"energy_per_atom": -7.910344862285714,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1310.1143509,
"band_gap": 4.346,
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"is_magnetic": false,
"total_magnetization": 6.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.665000Z",
"spacegroup": 1
},
{
"id": "mp-1185524",
"created_at": "2022-09-04T14:45:14.304776Z",
"structure_string": "Li95 Mn16 O64\n1.0\n13.418913 0.000000 -0.000001\n0.000000 13.440092 0.000000\n-0.000001 0.000000 9.445450\nLi Mn O\n95 16 64\ndirect\n0.625000 0.125000 0.106219 Li\n0.125001 0.625001 0.108385 Li\n0.625000 0.625001 0.109147 Li\n0.480818 0.016499 0.123407 Li\n0.480818 0.233501 0.123407 Li\n0.769181 0.016499 0.123407 Li\n0.769181 0.233501 0.123407 Li\n0.266785 0.517117 0.124749 Li\n0.266785 0.732883 0.124749 Li\n0.983214 0.517117 0.124749 Li\n0.983214 0.732883 0.124749 Li\n0.482280 0.515920 0.125138 Li\n0.482280 0.734080 0.125138 Li\n0.767719 0.515920 0.125138 Li\n0.767719 0.734080 0.125138 Li\n0.253114 0.024891 0.128458 Li\n0.253114 0.225110 0.128458 Li\n0.996885 0.024891 0.128458 Li\n0.996885 0.225110 0.128458 Li\n0.371241 0.372624 0.141532 Li\n0.371241 0.877377 0.141532 Li\n0.878761 0.372624 0.141532 Li\n0.878761 0.877377 0.141532 Li\n0.125001 0.125001 0.341814 Li\n0.625000 0.125001 0.357159 Li\n0.125001 0.625001 0.358602 Li\n0.625000 0.625001 0.358733 Li\n0.516460 0.266322 0.373593 Li\n0.516460 0.983677 0.373593 Li\n0.733540 0.266322 0.373593 Li\n0.733540 0.983677 0.373593 Li\n0.516195 0.482995 0.375042 Li\n0.516195 0.767004 0.375042 Li\n0.733805 0.482995 0.375042 Li\n0.733805 0.767004 0.375042 Li\n0.017046 0.482623 0.375150 Li\n0.017046 0.767377 0.375150 Li\n0.232954 0.482623 0.375150 Li\n0.232954 0.767377 0.375150 Li\n0.017815 0.267528 0.377411 Li\n0.017815 0.982472 0.377411 Li\n0.232185 0.267528 0.377411 Li\n0.232185 0.982472 0.377411 Li\n0.374496 0.374146 0.391590 Li\n0.374496 0.875855 0.391590 Li\n0.875506 0.374146 0.391590 Li\n0.875506 0.875855 0.391590 Li\n0.125001 0.125000 0.606590 Li\n0.625000 0.125000 0.606867 Li\n0.125001 0.625001 0.607978 Li\n0.625000 0.625001 0.608382 Li\n0.484264 0.016334 0.623739 Li\n0.484264 0.233666 0.623739 Li\n0.765735 0.016334 0.623739 Li\n0.765735 0.233666 0.623739 Li\n0.266873 0.516721 0.625100 Li\n0.266873 0.733279 0.625100 Li\n0.983127 0.516721 0.625100 Li\n0.983127 0.733279 0.625100 Li\n0.482809 0.517233 0.625337 Li\n0.482809 0.732767 0.625337 Li\n0.767191 0.517233 0.625337 Li\n0.767191 0.732767 0.625337 Li\n0.265537 0.017253 0.626112 Li\n0.265537 0.232747 0.626112 Li\n0.984463 0.017253 0.626112 Li\n0.984463 0.232747 0.626112 Li\n0.375065 0.374998 0.642758 Li\n0.375065 0.875004 0.642758 Li\n0.874936 0.374998 0.642758 Li\n0.874936 0.875004 0.642758 Li\n0.625000 0.125001 0.854797 Li\n0.125001 0.625001 0.857941 Li\n0.625000 0.625001 0.858845 Li\n0.125001 0.125001 0.868066 Li\n0.518017 0.268708 0.874567 Li\n0.518017 0.981292 0.874567 Li\n0.731984 0.268708 0.874567 Li\n0.731984 0.981292 0.874567 Li\n0.017524 0.483607 0.874965 Li\n0.017524 0.766393 0.874965 Li\n0.232477 0.483607 0.874965 Li\n0.232477 0.766393 0.874965 Li\n0.516640 0.483496 0.875552 Li\n0.516640 0.766505 0.875552 Li\n0.733361 0.483496 0.875552 Li\n0.733361 0.766505 0.875552 Li\n0.017108 0.266894 0.876274 Li\n0.017108 0.983106 0.876274 Li\n0.232892 0.266894 0.876274 Li\n0.232892 0.983106 0.876274 Li\n0.374456 0.375874 0.893525 Li\n0.374456 0.874128 0.893525 Li\n0.875546 0.375874 0.893525 Li\n0.875546 0.874128 0.893525 Li\n0.125001 0.376942 0.125517 Mn\n0.125001 0.873059 0.125517 Mn\n0.625000 0.375095 0.125694 Mn\n0.625000 0.874907 0.125694 Mn\n0.374628 0.625001 0.374107 Mn\n0.875374 0.625001 0.374107 Mn\n0.374153 0.125000 0.375024 Mn\n0.875848 0.125000 0.375024 Mn\n0.625000 0.375922 0.623984 Mn\n0.625000 0.874079 0.623984 Mn\n0.125001 0.375126 0.626216 Mn\n0.125001 0.874875 0.626216 Mn\n0.376828 0.125000 0.872204 Mn\n0.873173 0.125000 0.872204 Mn\n0.374975 0.625001 0.874892 Mn\n0.875026 0.625001 0.874892 Mn\n0.256859 0.376412 0.011101 O\n0.256859 0.873590 0.011101 O\n0.993142 0.376412 0.011101 O\n0.993142 0.873590 0.011101 O\n0.491734 0.374733 0.013649 O\n0.491734 0.875268 0.013649 O\n0.758267 0.374733 0.013649 O\n0.758267 0.875268 0.013649 O\n0.625000 0.008812 0.235428 O\n0.625000 0.241188 0.235428 O\n0.125001 0.509238 0.237417 O\n0.125001 0.740761 0.237417 O\n0.625000 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0.737103 O\n0.125001 0.008023 0.737469 O\n0.125001 0.241977 0.737469 O\n0.375549 0.491681 0.763463 O\n0.375549 0.758320 0.763463 O\n0.874452 0.491681 0.763463 O\n0.874452 0.758320 0.763463 O\n0.376425 0.256409 0.766567 O\n0.376425 0.993592 0.766567 O\n0.873577 0.256409 0.766567 O\n0.873577 0.993592 0.766567 O\n0.000346 0.125001 0.973070 O\n0.249655 0.125000 0.973070 O\n0.507855 0.125001 0.981902 O\n0.742145 0.125000 0.981902 O\n0.008033 0.625001 0.986524 O\n0.241967 0.625001 0.986524 O\n0.507789 0.625001 0.987395 O\n0.742212 0.625001 0.987395 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 2.497743935010324,
"density_atomic": 0.10272965190407164,
"volume": 1703.5003697220156,
"volume_molar": 5.862125149244583,
"formula_full": "Li95 Mn16 O64",
"formula_reduced": "Li95Mn16O64",
"formula_anonymous": "A16B64C95",
"energy": -1002.65478106,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -931.99878106,
"band_gap": 0.0291000000000001,
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"is_magnetic": true,
"total_magnetization": 79.0007452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.340000Z",
"spacegroup": 25
},
{
"id": "mp-1198079",
"created_at": "2022-09-04T14:43:58.864982Z",
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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:35:25.209000Z",
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{
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}