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{
"id": "mp-1048233",
"created_at": "2022-09-04T14:39:23.976052Z",
"structure_string": "Sr4 Y2 Ti4 O14\n1.0\n-2.637675 2.752274 12.807230\n2.637675 -2.752274 12.807230\n2.637675 2.752274 -12.807230\nSr Y Ti O\n4 2 4 14\ndirect\n0.821226 0.747293 0.936709 Sr\n0.189416 0.252707 0.073933 Sr\n0.689416 0.615483 0.936709 Sr\n0.321226 0.384517 0.073933 Sr\n0.516274 0.500000 0.016274 Y\n0.016274 0.000000 0.016274 Y\n0.438598 0.927946 0.522575 Ti\n0.594629 0.072054 0.510653 Ti\n0.094629 0.583976 0.522575 Ti\n0.938598 0.416024 0.510653 Ti\n0.009815 0.515338 0.025154 O\n0.509815 0.484662 0.494477 O\n0.211998 0.195284 0.515996 O\n0.320712 0.804716 0.016714 O\n0.820712 0.803999 0.515996 O\n0.711998 0.196001 0.016714 O\n0.707254 0.690561 0.517233 O\n0.826672 0.309439 0.016693 O\n0.326672 0.309979 0.517233 O\n0.207254 0.690021 0.016693 O\n0.871374 0.333138 0.499936 O\n0.166798 0.666862 0.538236 O\n0.666798 0.128562 0.499936 O\n0.371374 0.871438 0.538236 O\n",
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{
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"created_at": "2022-09-04T14:39:48.513888Z",
"structure_string": "Ba4 La2 Mn4 O14\n1.0\n-4.012968 -4.012925 0.000003\n2.006424 -2.006412 10.420631\n-4.012980 4.012937 0.000048\nBa La Mn O\n4 2 4 14\ndirect\n0.000000 0.362471 0.681242 Ba\n0.500000 0.362286 0.181151 Ba\n0.500000 0.637529 0.818759 Ba\n0.000001 0.637714 0.318849 Ba\n0.999999 0.000002 0.499998 La\n0.500002 0.999998 0.999998 La\n0.000001 0.815765 0.907901 Mn\n0.500000 0.184243 0.592103 Mn\n0.500000 0.811615 0.405833 Mn\n0.999999 0.188377 0.094164 Mn\n0.500001 0.995873 0.497925 O\n0.999999 0.004128 0.002077 O\n0.000000 0.629570 0.814836 O\n0.500001 0.627040 0.313567 O\n0.500000 0.370430 0.685165 O\n0.000000 0.372959 0.186432 O\n0.760052 0.827937 0.674213 O\n0.239933 0.827932 0.153772 O\n0.760061 0.827931 0.153774 O\n0.239950 0.827937 0.674210 O\n0.739948 0.172063 0.825786 O\n0.260064 0.172068 0.346229 O\n0.739937 0.172069 0.346224 O\n0.260051 0.172064 0.825792 O\n",
"nsites": 24,
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"formula_full": "Ba4 La2 Mn4 O14",
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"energy": -189.67419387,
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},
{
"id": "mp-1025246",
"created_at": "2022-09-04T14:39:32.528066Z",
"structure_string": "Er2 B4 C1\n1.0\n-1.629533 3.279881 3.710646\n1.629533 -3.279881 3.710646\n1.629533 3.279881 -3.710646\nEr B C\n2 4 1\ndirect\n0.233752 0.733752 0.500000 Er\n0.766248 0.266248 0.500000 Er\n0.634366 0.500000 0.134366 B\n0.365634 0.500000 0.865634 B\n0.228224 0.000000 0.228224 B\n0.771776 0.000000 0.771776 B\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-1212709",
"created_at": "2022-09-04T14:39:37.736945Z",
"structure_string": "Ga3 Ni30 P9\n1.0\n3.809522 -6.598286 0.000000\n3.809522 6.598286 0.000000\n0.000000 0.000000 9.421131\nGa Ni P\n3 30 9\ndirect\n0.333333 0.666667 0.360386 Ga\n0.666667 0.333333 0.639614 Ga\n0.000000 0.000000 0.000000 Ga\n0.339876 0.000000 0.500000 Ni\n0.660124 0.000000 0.500000 Ni\n0.000000 0.339876 0.500000 Ni\n0.000000 0.660124 0.500000 Ni\n0.660124 0.660124 0.500000 Ni\n0.339876 0.339876 0.500000 Ni\n0.000000 0.000000 0.380116 Ni\n0.000000 0.000000 0.619884 Ni\n0.814946 0.185054 0.067545 Ni\n0.185054 0.814946 0.932455 Ni\n0.814946 0.629892 0.067545 Ni\n0.185054 0.370108 0.932455 Ni\n0.370108 0.185054 0.067545 Ni\n0.629892 0.814946 0.932455 Ni\n0.333333 0.666667 0.101115 Ni\n0.666667 0.333333 0.898885 Ni\n0.505981 0.494019 0.243528 Ni\n0.494019 0.505981 0.756472 Ni\n0.505981 0.011961 0.243528 Ni\n0.494019 0.988039 0.756472 Ni\n0.988039 0.494019 0.243528 Ni\n0.011961 0.505981 0.756472 Ni\n0.333333 0.666667 0.610197 Ni\n0.666667 0.333333 0.389803 Ni\n0.135399 0.864601 0.199147 Ni\n0.864601 0.135399 0.800853 Ni\n0.135399 0.270797 0.199147 Ni\n0.864601 0.729203 0.800853 Ni\n0.729203 0.864601 0.199147 Ni\n0.270797 0.135399 0.800853 Ni\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.834568 0.165432 0.309096 P\n0.165432 0.834568 0.690904 P\n0.834568 0.669137 0.309096 P\n0.165432 0.330863 0.690904 P\n0.330863 0.165432 0.309096 P\n0.669137 0.834568 0.690904 P\n",
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"volume": 473.6250457439279,
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"formula_full": "Ga3 Ni30 P9",
"formula_reduced": "GaNi10P3",
"formula_anonymous": "AB3C10",
"energy": -250.55293795,
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},
{
"id": "mp-542734",
"created_at": "2022-09-04T14:39:17.945453Z",
"structure_string": "Rh4 O6\n1.0\n4.931536 -2.605075 0.000000\n4.931536 2.605075 0.000000\n3.555410 0.000000 4.297153\nRh O\n4 6\ndirect\n0.849435 0.849435 0.849435 Rh\n0.650565 0.650565 0.650565 Rh\n0.150565 0.150565 0.150565 Rh\n0.349435 0.349435 0.349435 Rh\n0.450403 0.049597 0.750000 O\n0.049597 0.750000 0.450403 O\n0.750000 0.450403 0.049597 O\n0.549597 0.950403 0.250000 O\n0.950403 0.250000 0.549597 O\n0.250000 0.549597 0.950403 O\n",
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"volume": 110.41123091031922,
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"formula_full": "Rh4 O6",
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{
"id": "mp-1224473",
"created_at": "2022-09-04T14:39:39.422505Z",
"structure_string": "Hf2 Ni1 S4\n1.0\n1.775660 6.513638 0.000000\n-1.775660 6.513638 0.000000\n0.000000 2.797479 5.424830\nHf Ni S\n2 1 4\ndirect\n0.744894 0.744894 0.253939 Hf\n0.255106 0.255106 0.746061 Hf\n0.000000 0.000000 0.000000 Ni\n0.116968 0.116968 0.207737 S\n0.617409 0.617409 0.719030 S\n0.382591 0.382591 0.280970 S\n0.883032 0.883032 0.792263 S\n",
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],
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"volume": 125.48723755202464,
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{
"id": "mp-997005",
"created_at": "2022-09-04T14:39:46.067623Z",
"structure_string": "Ca2 Ag2 O4\n1.0\n3.398801 -4.822494 0.000000\n3.398801 4.822494 0.000000\n0.000000 0.000000 3.347019\nCa Ag O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.777190 0.222810 0.500000 O\n0.708819 0.708819 0.000000 O\n0.291181 0.291181 0.000000 O\n0.222810 0.777190 0.500000 O\n",
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{
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"structure_string": "Lu6 Ga6 Ni12\n1.0\n2.545968 -4.409746 0.000000\n2.545968 4.409746 0.000000\n0.000000 0.000000 16.097116\nLu Ga Ni\n6 6 12\ndirect\n0.333333 0.666667 0.966309 Lu\n0.666667 0.333333 0.033691 Lu\n0.666667 0.333333 0.460659 Lu\n0.333333 0.666667 0.539341 Lu\n0.333333 0.666667 0.742652 Lu\n0.666667 0.333333 0.257348 Lu\n0.832617 0.167383 0.869652 Ga\n0.832617 0.665234 0.869652 Ga\n0.334766 0.167383 0.869652 Ga\n0.167383 0.832617 0.130348 Ga\n0.167383 0.334766 0.130348 Ga\n0.665234 0.832617 0.130348 Ga\n0.333333 0.666667 0.254329 Ni\n0.666667 0.333333 0.745671 Ni\n0.000000 0.000000 0.252888 Ni\n0.000000 0.000000 0.747112 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.167655 0.832345 0.376050 Ni\n0.167655 0.335309 0.376050 Ni\n0.664691 0.832345 0.376050 Ni\n0.832345 0.167655 0.623950 Ni\n0.832345 0.664691 0.623950 Ni\n0.335309 0.167655 0.623950 Ni\n",
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{
"id": "mp-1096568",
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"structure_string": "Li1 Cu2 Au1\n1.0\n-4.909503 5.057981 7.135410\n4.909503 -5.057981 7.135410\n4.909503 5.057981 -7.135410\nLi Cu Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.252387 0.252387 Cu\n0.000000 0.747613 0.747613 Cu\n0.000000 0.500000 0.500000 Au\n",
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{
"id": "mp-1179557",
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"structure_string": "Sm2 Mo8 O45\n1.0\n-9.318503 0.000000 0.000000\n-0.018434 -10.387600 0.000000\n3.950698 0.770160 10.019508\nSm Mo O\n2 8 45\ndirect\n0.637921 0.198368 0.790997 Sm\n0.362079 0.801632 0.209003 Sm\n0.188039 0.255691 0.664904 Mo\n0.811961 0.744309 0.335096 Mo\n0.365304 0.342135 0.464431 Mo\n0.634696 0.657865 0.535569 Mo\n0.951625 0.445591 0.752293 Mo\n0.048375 0.554409 0.247707 Mo\n0.180002 0.584571 0.594304 Mo\n0.819998 0.415429 0.405696 Mo\n0.452852 0.980382 0.591734 O\n0.547148 0.019618 0.408266 O\n0.771413 0.006647 0.845820 O\n0.228587 0.993353 0.154180 O\n0.640641 0.018885 0.523168 O\n0.359359 0.981115 0.476832 O\n0.636432 0.121749 0.029579 O\n0.363568 0.878251 0.970421 O\n0.698107 0.392958 0.943314 O\n0.301893 0.607042 0.056686 O\n0.593592 0.485875 0.926152 O\n0.406408 0.514125 0.073848 O\n0.379903 0.203303 0.762554 O\n0.620097 0.796697 0.237446 O\n0.524810 0.261541 0.583094 O\n0.475190 0.738459 0.416906 O\n0.833228 0.310856 0.764505 O\n0.166772 0.689144 0.235495 O\n0.070403 0.122547 0.642887 O\n0.929597 0.877453 0.357113 O\n0.144327 0.357271 0.808827 O\n0.855673 0.642729 0.191173 O\n0.210947 0.239372 0.491233 O\n0.789053 0.760628 0.508767 O\n0.311508 0.447769 0.654738 O\n0.688492 0.552231 0.345262 O\n0.355471 0.277603 0.311022 O\n0.644529 0.722397 0.688978 O\n0.500000 0.500000 0.500000 O\n0.948934 0.551582 0.879792 O\n0.051066 0.448418 0.120208 O\n0.003382 0.383202 0.564767 O\n0.996618 0.616798 0.435233 O\n0.092331 0.604190 0.717918 O\n0.907669 0.395810 0.282082 O\n0.212307 0.492236 0.407165 O\n0.787693 0.507764 0.592835 O\n0.295067 0.721171 0.624085 O\n0.704933 0.278829 0.375915 O\n0.647513 0.599688 0.952124 O\n0.352487 0.400312 0.047876 O\n0.110742 0.867028 0.864393 O\n0.889258 0.132972 0.135607 O\n0.242040 0.897383 0.863336 O\n0.757960 0.102617 0.136664 O\n",
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},
{
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"structure_string": "Na11 Ti20 O40\n1.0\n1.506755 5.681276 0.000000\n-1.506755 5.681276 0.000000\n0.000000 3.293990 51.016370\nNa Ti O\n11 20 40\ndirect\n0.699997 0.699997 0.800291 Na\n0.300003 0.300003 0.199709 Na\n0.202967 0.202967 0.296274 Na\n0.549834 0.549834 0.450012 Na\n0.650752 0.650752 0.349518 Na\n0.099971 0.099971 0.399991 Na\n0.900029 0.900029 0.600009 Na\n0.000000 0.000000 0.500000 Na\n0.450166 0.450166 0.549988 Na\n0.349248 0.349248 0.650482 Na\n0.797033 0.797033 0.703726 Na\n0.969254 0.969254 0.774030 Ti\n0.430519 0.430519 0.825667 Ti\n0.873256 0.873256 0.875949 Ti\n0.323738 0.323738 0.925765 Ti\n0.774845 0.774845 0.975261 Ti\n0.225155 0.225155 0.024739 Ti\n0.676262 0.676262 0.074235 Ti\n0.126744 0.126744 0.124051 Ti\n0.569481 0.569481 0.174333 Ti\n0.030746 0.030746 0.225970 Ti\n0.470552 0.470552 0.274831 Ti\n0.925983 0.925983 0.325399 Ti\n0.374253 0.374253 0.375631 Ti\n0.825224 0.825224 0.424928 Ti\n0.275188 0.275188 0.474804 Ti\n0.724812 0.724812 0.525196 Ti\n0.174776 0.174776 0.575072 Ti\n0.625747 0.625747 0.624369 Ti\n0.074017 0.074017 0.674601 Ti\n0.529448 0.529448 0.725169 Ti\n0.578088 0.578088 0.762571 O\n0.034655 0.034655 0.810703 O\n0.364845 0.364845 0.789199 O\n0.475829 0.475829 0.860822 O\n0.825443 0.825443 0.837133 O\n0.925014 0.925014 0.910737 O\n0.275056 0.275056 0.887996 O\n0.375067 0.375067 0.961085 O\n0.725300 0.725300 0.938403 O\n0.824806 0.824806 0.011364 O\n0.175194 0.175194 0.988636 O\n0.274700 0.274700 0.061597 O\n0.624933 0.624933 0.038915 O\n0.724944 0.724944 0.112004 O\n0.074986 0.074986 0.089263 O\n0.174557 0.174557 0.162867 O\n0.524171 0.524171 0.139178 O\n0.635155 0.635155 0.210801 O\n0.965345 0.965345 0.189297 O\n0.079891 0.079891 0.262374 O\n0.421912 0.421912 0.237429 O\n0.539765 0.539765 0.311783 O\n0.862778 0.862778 0.289028 O\n0.991030 0.991030 0.362045 O\n0.310069 0.310069 0.338217 O\n0.441960 0.441960 0.412087 O\n0.757925 0.757925 0.387998 O\n0.891645 0.891645 0.462063 O\n0.208091 0.208091 0.438186 O\n0.341064 0.341064 0.511861 O\n0.658936 0.658936 0.488139 O\n0.791909 0.791909 0.561814 O\n0.108355 0.108355 0.537937 O\n0.242075 0.242075 0.612002 O\n0.558040 0.558040 0.587913 O\n0.689931 0.689931 0.661783 O\n0.008970 0.008970 0.637955 O\n0.137222 0.137222 0.710972 O\n0.460235 0.460235 0.688217 O\n0.920109 0.920109 0.737626 O\n",
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"formula_full": "Na11 Ti20 O40",
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"updated_at": "2021-11-28T01:34:24.053000Z",
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},
{
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"created_at": "2022-09-04T14:39:05.851012Z",
"structure_string": "Li12 V4 P8 O32\n1.0\n17.952893 0.000000 0.000000\n0.000000 4.922230 0.000000\n0.000000 4.605196 6.418292\nLi V P O\n12 4 8 32\ndirect\n0.120337 0.284242 0.497543 Li\n0.447712 0.974899 0.787657 Li\n0.379663 0.284242 0.997543 Li\n0.052288 0.974899 0.287657 Li\n0.947712 0.025101 0.712343 Li\n0.879663 0.715758 0.502457 Li\n0.801744 0.379587 0.310691 Li\n0.552288 0.025101 0.212343 Li\n0.698256 0.379587 0.810691 Li\n0.301744 0.620413 0.189309 Li\n0.620337 0.715758 0.002457 Li\n0.198256 0.620413 0.689309 Li\n0.372864 0.814220 0.484774 V\n0.627136 0.185780 0.515226 V\n0.872864 0.185780 0.015226 V\n0.127136 0.814220 0.984774 V\n0.535581 0.493388 0.729694 P\n0.785289 0.890580 0.786563 P\n0.285289 0.109420 0.713437 P\n0.964419 0.493388 0.229694 P\n0.464419 0.506612 0.270306 P\n0.714711 0.890580 0.286563 P\n0.035581 0.506612 0.770306 P\n0.214711 0.109420 0.213437 P\n0.934839 0.444887 0.425022 O\n0.309506 0.455153 0.512195 O\n0.566289 0.825782 0.532214 O\n0.198555 0.827038 0.183663 O\n0.327392 0.035353 0.903154 O\n0.698555 0.172962 0.316337 O\n0.190494 0.455153 0.012195 O\n0.690494 0.544847 0.487805 O\n0.800736 0.856580 0.265799 O\n0.699264 0.856580 0.765799 O\n0.433711 0.174218 0.467786 O\n0.827392 0.964647 0.596846 O\n0.809506 0.544847 0.987805 O\n0.939716 0.188939 0.226150 O\n0.801445 0.172962 0.816337 O\n0.172608 0.035353 0.403154 O\n0.301445 0.827038 0.683663 O\n0.448187 0.491889 0.726340 O\n0.560284 0.188939 0.726150 O\n0.066289 0.174218 0.967786 O\n0.065161 0.555113 0.574978 O\n0.060284 0.811061 0.773850 O\n0.300736 0.143420 0.234201 O\n0.434839 0.555113 0.074978 O\n0.948187 0.508111 0.773660 O\n0.933711 0.825782 0.032214 O\n0.051813 0.491889 0.226340 O\n0.565161 0.444887 0.925022 O\n0.672608 0.964647 0.096846 O\n0.199264 0.143420 0.734201 O\n0.439716 0.811061 0.273850 O\n0.551813 0.508111 0.273660 O\n",
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}
]
}