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{
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"results": [
{
"id": "mp-1191130",
"created_at": "2022-09-04T14:46:52.907063Z",
"structure_string": "Gd4 Re4 B16\n1.0\n3.631745 0.000000 0.000000\n0.000000 5.994259 0.000000\n0.000000 0.000000 11.606240\nGd Re B\n4 4 16\ndirect\n0.000000 0.626093 0.349366 Gd\n0.000000 0.373907 0.650634 Gd\n0.000000 0.126093 0.150634 Gd\n0.000000 0.873907 0.849366 Gd\n0.000000 0.632335 0.086916 Re\n0.000000 0.367665 0.913084 Re\n0.000000 0.132335 0.413084 Re\n0.000000 0.867665 0.586916 Re\n0.500000 0.786633 0.184331 B\n0.500000 0.213367 0.815669 B\n0.500000 0.286633 0.315669 B\n0.500000 0.713367 0.684331 B\n0.500000 0.862922 0.031512 B\n0.500000 0.137078 0.968488 B\n0.500000 0.362922 0.468488 B\n0.500000 0.637078 0.531512 B\n0.500000 0.886557 0.453057 B\n0.500000 0.113443 0.546943 B\n0.500000 0.386557 0.046943 B\n0.500000 0.613443 0.953057 B\n0.500000 0.977454 0.308662 B\n0.500000 0.022546 0.691338 B\n0.500000 0.477454 0.191338 B\n0.500000 0.522546 0.808662 B\n",
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{
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"structure_string": "Ta4 Mo1 Se10\n1.0\n1.720071 9.769492 0.000000\n-1.720071 9.769492 0.000000\n0.000000 0.853682 10.477249\nTa Mo Se\n4 1 10\ndirect\n0.133148 0.133148 0.271810 Ta\n0.335622 0.335622 0.677697 Ta\n0.525749 0.525749 0.057674 Ta\n0.730383 0.730383 0.466975 Ta\n0.932167 0.932167 0.870979 Mo\n0.395950 0.395950 0.048019 Se\n0.597867 0.597867 0.452112 Se\n0.000537 0.000537 0.245323 Se\n0.801071 0.801071 0.855877 Se\n0.202338 0.202338 0.651866 Se\n0.731798 0.731798 0.218812 Se\n0.933022 0.933022 0.625425 Se\n0.127704 0.127704 0.022984 Se\n0.330864 0.330864 0.427676 Se\n0.529137 0.529137 0.815171 Se\n",
"nsites": 15,
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"elements": [
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],
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"density": 7.589252430277354,
"density_atomic": 0.04259863102733781,
"volume": 352.12399173986836,
"volume_molar": 14.13693495487043,
"formula_full": "Ta4 Mo1 Se10",
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"spacegroup": 8
},
{
"id": "mp-1183626",
"created_at": "2022-09-04T14:46:52.797469Z",
"structure_string": "Cd3 Ir1\n1.0\n4.216704 0.000000 0.000000\n0.000000 4.216704 0.000000\n0.000000 0.000000 4.216704\nCd Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n",
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],
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"density": 11.726129939325965,
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"volume": 74.97549603837207,
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"formula_full": "Cd3 Ir1",
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"updated_at": "2021-11-28T01:37:35.559000Z",
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},
{
"id": "mp-778997",
"created_at": "2022-09-04T14:46:52.785315Z",
"structure_string": "Li12 Mn4 Si4 O20\n1.0\n5.007508 0.000000 0.000000\n0.000000 5.486887 0.000000\n0.000000 0.000000 15.883598\nLi Mn Si O\n12 4 4 20\ndirect\n0.994257 0.163847 0.590546 Li\n0.994257 0.663847 0.909454 Li\n0.499226 0.835817 0.993543 Li\n0.499226 0.335817 0.506457 Li\n0.508572 0.826895 0.802686 Li\n0.508572 0.326895 0.697314 Li\n0.494257 0.836153 0.409454 Li\n0.494257 0.336153 0.090546 Li\n0.999226 0.164183 0.006457 Li\n0.999226 0.664183 0.493543 Li\n0.008572 0.673105 0.302686 Li\n0.008572 0.173105 0.197314 Li\n0.007546 0.671643 0.697282 Mn\n0.007546 0.171643 0.802718 Mn\n0.507546 0.828357 0.197282 Mn\n0.507546 0.328357 0.302718 Mn\n0.005893 0.663247 0.097965 Si\n0.005893 0.163247 0.402035 Si\n0.505893 0.836753 0.597965 Si\n0.505893 0.336753 0.902035 Si\n0.098544 0.840701 0.795792 O\n0.098544 0.340701 0.704208 O\n0.103353 0.880064 0.397792 O\n0.103353 0.380064 0.102208 O\n0.103945 0.813521 0.015207 O\n0.103945 0.313521 0.484793 O\n0.105141 0.810238 0.185702 O\n0.105141 0.310238 0.314298 O\n0.168805 0.829636 0.601508 O\n0.168805 0.329636 0.898492 O\n0.598544 0.159299 0.204208 O\n0.598544 0.659299 0.295792 O\n0.603353 0.119936 0.602208 O\n0.603353 0.619936 0.897792 O\n0.603945 0.686479 0.515207 O\n0.603945 0.186479 0.984793 O\n0.605141 0.689762 0.685702 O\n0.605141 0.189762 0.814298 O\n0.668805 0.670364 0.101508 O\n0.668805 0.170364 0.398492 O\n",
"nsites": 40,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.7980851054739575,
"density_atomic": 0.09165653528627712,
"volume": 436.4118704145347,
"volume_molar": 6.570334282428019,
"formula_full": "Li12 Mn4 Si4 O20",
"formula_reduced": "Li3MnSiO5",
"formula_anonymous": "ABC3D5",
"energy": -281.34178992,
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"spacegroup": 33
},
{
"id": "mp-1076193",
"created_at": "2022-09-04T14:46:52.830948Z",
"structure_string": "Ba4 Sr28 Ti28 Mn4 O80\n1.0\n0.002846 0.001917 11.332359\n11.392364 -0.000270 0.002989\n-5.697423 15.946056 -5.665633\nBa Sr Ti Mn O\n4 28 28 4 80\ndirect\n0.311052 0.060926 0.124134 Ba\n0.310939 0.564047 0.122741 Ba\n0.811387 0.063672 0.124251 Ba\n0.060954 0.809647 0.122930 Ba\n0.302540 0.058638 0.604895 Sr\n0.304409 0.561402 0.608948 Sr\n0.801721 0.059049 0.605728 Sr\n0.807600 0.558560 0.114294 Sr\n0.802181 0.566354 0.606734 Sr\n0.194449 0.440952 0.385432 Sr\n0.196228 0.438959 0.889818 Sr\n0.191346 0.936774 0.380385 Sr\n0.200635 0.938325 0.894473 Sr\n0.690727 0.439676 0.382697 Sr\n0.689924 0.435745 0.888380 Sr\n0.688898 0.938330 0.378795 Sr\n0.696131 0.942976 0.895676 Sr\n0.058747 0.308744 0.116775 Sr\n0.056535 0.298063 0.609618 Sr\n0.057225 0.793237 0.605677 Sr\n0.559347 0.307537 0.116343 Sr\n0.550820 0.294920 0.608954 Sr\n0.559625 0.803011 0.116156 Sr\n0.551323 0.795204 0.603427 Sr\n0.439508 0.190412 0.383401 Sr\n0.447270 0.202450 0.892507 Sr\n0.441212 0.693649 0.381235 Sr\n0.444864 0.701660 0.889411 Sr\n0.944407 0.196997 0.383575 Sr\n0.945072 0.201123 0.891547 Sr\n0.943283 0.693603 0.384292 Sr\n0.945596 0.708798 0.892685 Sr\n0.001727 0.004566 0.002253 Ti\n0.997634 0.995979 0.494282 Ti\n0.001134 0.500644 0.002585 Ti\n0.001511 0.500098 0.501817 Ti\n0.500352 0.000426 0.999553 Ti\n0.499701 0.996261 0.496201 Ti\n0.499995 0.498699 0.996429 Ti\n0.502304 0.498497 0.500877 Ti\n0.252994 0.251449 0.003715 Ti\n0.251477 0.251110 0.501290 Ti\n0.250228 0.748513 0.997772 Ti\n0.250991 0.749706 0.498520 Ti\n0.752752 0.251888 0.002909 Ti\n0.749489 0.248844 0.495209 Ti\n0.748517 0.747362 0.996444 Ti\n0.749897 0.750365 0.494896 Ti\n0.122185 0.115428 0.253961 Ti\n0.109089 0.084493 0.749205 Ti\n0.119584 0.610693 0.252000 Ti\n0.625277 0.111122 0.251430 Ti\n0.600817 0.089589 0.748979 Ti\n0.620320 0.613800 0.250029 Ti\n0.373138 0.389106 0.252769 Ti\n0.374979 0.887330 0.252339 Ti\n0.867615 0.395120 0.252430 Ti\n0.852709 0.412684 0.748734 Ti\n0.871847 0.881970 0.250563 Ti\n0.849586 0.909724 0.749158 Ti\n0.110549 0.592742 0.749621 Mn\n0.604825 0.603874 0.748559 Mn\n0.355571 0.404987 0.748865 Mn\n0.364617 0.901800 0.749127 Mn\n0.120844 0.120289 0.490777 O\n0.121455 0.123198 0.992154 O\n0.121997 0.621570 0.492154 O\n0.120694 0.620930 0.991373 O\n0.623395 0.123766 0.495377 O\n0.622954 0.125822 0.997749 O\n0.621083 0.620120 0.488540 O\n0.623709 0.621957 0.994082 O\n0.123166 0.372457 0.000629 O\n0.128054 0.377431 0.505336 O\n0.125873 0.876920 0.001266 O\n0.128236 0.877036 0.505555 O\n0.629152 0.377721 0.005683 O\n0.631072 0.377813 0.508026 O\n0.627423 0.876472 0.007068 O\n0.628837 0.877345 0.504161 O\n0.371547 0.119288 0.490942 O\n0.372223 0.122132 0.993039 O\n0.371781 0.619026 0.489941 O\n0.375208 0.622623 0.994895 O\n0.873219 0.121557 0.495325 O\n0.874076 0.125968 0.995298 O\n0.873271 0.623042 0.494950 O\n0.869712 0.617332 0.989545 O\n0.379800 0.376268 0.004241 O\n0.380787 0.378800 0.506969 O\n0.380464 0.878708 0.005584 O\n0.376758 0.875505 0.502884 O\n0.873842 0.375042 0.998725 O\n0.879697 0.379984 0.507890 O\n0.876874 0.878622 0.004143 O\n0.882132 0.880908 0.510848 O\n0.065626 0.082768 0.131807 O\n0.084127 0.092446 0.643115 O\n0.056763 0.565318 0.126909 O\n0.069224 0.584359 0.627368 O\n0.563980 0.083017 0.132254 O\n0.569416 0.075618 0.633659 O\n0.571997 0.577644 0.131081 O\n0.572680 0.585744 0.625195 O\n0.434989 0.411780 0.370729 O\n0.445997 0.419122 0.873527 O\n0.438408 0.919273 0.372783 O\n0.444212 0.921705 0.872072 O\n0.935251 0.423716 0.371582 O\n0.936021 0.399421 0.852669 O\n0.930781 0.915983 0.372360 O\n0.928643 0.922700 0.863331 O\n0.313851 0.306805 0.129732 O\n0.320431 0.291981 0.624738 O\n0.317960 0.808843 0.129890 O\n0.320267 0.796026 0.626797 O\n0.818711 0.312335 0.129608 O\n0.831910 0.295713 0.644257 O\n0.813996 0.795944 0.130220 O\n0.813851 0.804773 0.635856 O\n0.187051 0.208412 0.372118 O\n0.188018 0.197741 0.855903 O\n0.183119 0.699020 0.371306 O\n0.192938 0.705882 0.871395 O\n0.690961 0.203156 0.372765 O\n0.681962 0.189288 0.864526 O\n0.694656 0.704184 0.371315 O\n0.691680 0.707355 0.872540 O\n0.497975 0.012614 0.259865 O\n0.435864 0.075452 0.748303 O\n0.490114 0.514348 0.258110 O\n0.426547 0.572526 0.748603 O\n0.996824 0.005945 0.258221 O\n0.945454 0.053057 0.748238 O\n0.973353 0.526035 0.252066 O\n0.921065 0.559835 0.749374 O\n0.231285 0.486706 0.252738 O\n0.174539 0.425165 0.749494 O\n0.247525 0.001141 0.257413 O\n0.179286 0.939123 0.749706 O\n0.722025 0.468494 0.251695 O\n0.692052 0.437499 0.748497 O\n0.739573 0.989485 0.251409 O\n0.680338 0.936538 0.749275 O\n",
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],
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"formula_full": "Ba4 Sr28 Ti28 Mn4 O80",
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{
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"structure_string": "Yb2 In8 Au4\n1.0\n4.615728 0.000000 0.000000\n0.000000 7.765576 0.000000\n0.000000 2.956327 9.273350\nYb In Au\n2 8 4\ndirect\n0.750000 0.832758 0.788370 Yb\n0.250000 0.167242 0.211630 Yb\n0.250000 0.096480 0.877169 In\n0.750000 0.903520 0.122831 In\n0.250000 0.104745 0.571794 In\n0.750000 0.895255 0.428206 In\n0.250000 0.537600 0.367752 In\n0.750000 0.462400 0.632248 In\n0.250000 0.504680 0.870912 In\n0.750000 0.495320 0.129088 In\n0.250000 0.726876 0.058120 Au\n0.750000 0.273124 0.941880 Au\n0.250000 0.724442 0.580316 Au\n0.750000 0.275558 0.419684 Au\n",
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{
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"structure_string": "Ca1 C12\n1.0\n-2.622782 -4.542791 0.000000\n-3.163339 4.854882 0.000000\n0.000000 0.000000 -26.512971\nCa C\n1 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.618729 0.499898 0.500000 C\n0.381271 0.500102 0.500000 C\n0.527128 0.813463 0.000000 C\n0.881169 0.499898 0.500000 C\n0.472872 0.186537 0.000000 C\n0.118831 0.500102 0.500000 C\n0.000000 0.500000 0.666232 C\n0.286335 0.813463 0.000000 C\n0.000000 0.500000 0.333768 C\n0.713665 0.186537 0.000000 C\n0.500000 0.500000 0.333768 C\n0.500000 0.500000 0.666232 C\n",
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{
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"structure_string": "Ce1 Al2 Ge2\n1.0\n2.145599 -3.716287 0.000000\n2.145599 3.716287 0.000000\n0.000000 0.000000 6.875767\nCe Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.357894 Al\n0.333333 0.666667 0.642106 Al\n0.666667 0.333333 0.735644 Ge\n0.333333 0.666667 0.264356 Ge\n",
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