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{
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{
"id": "mp-755565",
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{
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{
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"formula_full": "Mo8 Pb12 N16",
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"spacegroup": 52
},
{
"id": "mp-1111242",
"created_at": "2022-09-04T14:40:03.775310Z",
"structure_string": "K2 Li1 Tl1 Br6\n1.0\n0.000000 5.503901 5.503901\n5.503901 0.000000 5.503901\n5.503901 5.503901 0.000000\nK Li Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.747741 0.252259 0.252259 Br\n0.252259 0.252259 0.747741 Br\n0.252259 0.747741 0.747741 Br\n0.252259 0.747741 0.252259 Br\n0.747741 0.252259 0.747741 Br\n0.747741 0.747741 0.252259 Br\n",
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"volume_molar": 20.081342282039277,
"formula_full": "K2 Li1 Tl1 Br6",
"formula_reduced": "K2LiTlBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.23257913,
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"updated_at": "2021-11-28T01:34:46.794000Z",
"spacegroup": 225
},
{
"id": "mp-1046564",
"created_at": "2022-09-04T14:40:03.807736Z",
"structure_string": "V10 Zn8 Te6 O36\n1.0\n4.572968 7.482752 0.000000\n-4.572968 7.482752 0.000000\n0.000000 0.945827 10.723418\nV Zn Te O\n10 8 6 36\ndirect\n0.300085 0.998281 0.732168 V\n0.998281 0.300085 0.232168 V\n0.141081 0.534300 0.050542 V\n0.534300 0.141081 0.550542 V\n0.465700 0.858919 0.449458 V\n0.829986 0.170014 0.750000 V\n0.170014 0.829986 0.250000 V\n0.858919 0.465700 0.949458 V\n0.699915 0.001719 0.267832 V\n0.001719 0.699915 0.767832 V\n0.350380 0.059601 0.070656 Zn\n0.383698 0.681969 0.964661 Zn\n0.940399 0.649620 0.429344 Zn\n0.318031 0.616302 0.535339 Zn\n0.681969 0.383698 0.464661 Zn\n0.059601 0.350380 0.570656 Zn\n0.649620 0.940399 0.929344 Zn\n0.616302 0.318031 0.035339 Zn\n0.660181 0.655919 0.699042 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.655919 0.660181 0.199042 Te\n0.339819 0.344081 0.300958 Te\n0.344081 0.339819 0.800958 Te\n0.925363 0.600621 0.615949 O\n0.242865 0.933488 0.564800 O\n0.394951 0.775876 0.316094 O\n0.933446 0.926062 0.179047 O\n0.066512 0.757135 0.935200 O\n0.073938 0.066554 0.320953 O\n0.621628 0.547453 0.035939 O\n0.893711 0.249105 0.573082 O\n0.106289 0.750895 0.426918 O\n0.225686 0.281060 0.153538 O\n0.431100 0.762164 0.799632 O\n0.774314 0.718940 0.846462 O\n0.757135 0.066512 0.435200 O\n0.546331 0.907960 0.617654 O\n0.237836 0.568900 0.700368 O\n0.378372 0.452547 0.964061 O\n0.568900 0.237836 0.200368 O\n0.092040 0.453669 0.882346 O\n0.224124 0.605049 0.183906 O\n0.762164 0.431100 0.299632 O\n0.600621 0.925363 0.115949 O\n0.453669 0.092040 0.382346 O\n0.750895 0.106289 0.926918 O\n0.547453 0.621628 0.535939 O\n0.605049 0.224124 0.683906 O\n0.926062 0.933446 0.679047 O\n0.281060 0.225686 0.653538 O\n0.452547 0.378372 0.464061 O\n0.933488 0.242865 0.064800 O\n0.907960 0.546331 0.117654 O\n0.074637 0.399379 0.384051 O\n0.066554 0.073938 0.820953 O\n0.249105 0.893711 0.073082 O\n0.718940 0.774314 0.346462 O\n0.775876 0.394951 0.816094 O\n0.399379 0.074637 0.884051 O\n",
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"spacegroup": 15
},
{
"id": "mp-1518471",
"created_at": "2022-09-04T14:40:03.808546Z",
"structure_string": "Sr1 Eu1 In1 Bi1 O6\n1.0\n-0.000000 -4.237002 -4.237002\n4.237002 0.000000 -4.237002\n4.237002 -4.237002 -0.000000\nSr Eu In Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 In\n-0.000000 0.000000 0.000000 Bi\n0.750696 0.249304 0.249304 O\n0.249304 0.750696 0.750696 O\n0.750696 0.249304 0.750696 O\n0.249304 0.750696 0.249304 O\n0.750696 0.750696 0.249304 O\n0.249304 0.249304 0.750696 O\n",
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"formula_full": "Sr1 Eu1 In1 Bi1 O6",
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{
"id": "mp-1519582",
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"structure_string": "K1 Eu1 Mg1 W1 O6\n1.0\n0.000000 -3.991284 -3.991284\n3.991284 0.000000 -3.991284\n3.991284 -3.991284 0.000000\nK Eu Mg W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 W\n0.742054 0.257946 0.257946 O\n0.257946 0.742054 0.742054 O\n0.742054 0.257946 0.742054 O\n0.257946 0.742054 0.257946 O\n0.742054 0.742054 0.257946 O\n0.257946 0.257946 0.742054 O\n",
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{
"id": "mp-1245320",
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"structure_string": "Ti100\n1.0\n11.841932 0.065058 0.087674\n0.059780 12.366594 -0.075703\n0.095018 -0.083665 11.978790\nTi\n100\ndirect\n0.968692 0.918557 0.834264 Ti\n0.637536 0.862799 0.236097 Ti\n0.417074 0.561989 0.429323 Ti\n0.125084 0.291181 0.388425 Ti\n0.545101 0.368721 0.515056 Ti\n0.475967 0.714488 0.254041 Ti\n0.130266 0.753435 0.849028 Ti\n0.144659 0.555756 0.735097 Ti\n0.265625 0.373403 0.848229 Ti\n0.008638 0.919218 0.228231 Ti\n0.126854 0.836411 0.066910 Ti\n0.840561 0.533083 0.308318 Ti\n0.910248 0.852025 0.521552 Ti\n0.637886 0.566363 0.405780 Ti\n0.113637 0.957422 0.426365 Ti\n0.729106 0.187370 0.449420 Ti\n0.062217 0.129899 0.253610 Ti\n0.419785 0.368331 0.020515 Ti\n0.569361 0.447641 0.839859 Ti\n0.935146 0.096005 0.447087 Ti\n0.710960 0.355235 0.265314 Ti\n0.730682 0.627619 0.898057 Ti\n0.630411 0.040596 0.757866 Ti\n0.158070 0.203557 0.990142 Ti\n0.995730 0.045742 0.035209 Ti\n0.715774 0.756133 0.646097 Ti\n0.616619 0.087994 0.271102 Ti\n0.482692 0.952003 0.380686 Ti\n0.470367 0.287021 0.726072 Ti\n0.330286 0.674793 0.642457 Ti\n0.182565 0.578528 0.967962 Ti\n0.883099 0.638279 0.511943 Ti\n0.667645 0.451274 0.043213 Ti\n0.608086 0.250092 0.112212 Ti\n0.363707 0.464686 0.633162 Ti\n0.062979 0.395174 0.991818 Ti\n0.486286 0.472455 0.221398 Ti\n0.505644 0.748118 0.488396 Ti\n0.511340 0.886040 0.652466 Ti\n0.312873 0.987329 0.538585 Ti\n0.674241 0.625298 0.180149 Ti\n0.130267 0.144669 0.551644 Ti\n0.827023 0.134634 0.212248 Ti\n0.721379 0.765883 0.416553 Ti\n0.462974 0.937412 0.901992 Ti\n0.611853 0.788573 0.027972 Ti\n0.857162 0.024273 0.658794 Ti\n0.431668 0.902763 0.127452 Ti\n0.380275 0.163693 0.926096 Ti\n0.569746 0.567375 0.630457 Ti\n0.919074 0.710156 0.744392 Ti\n0.799230 0.100046 0.890014 Ti\n0.306614 0.396708 0.378660 Ti\n0.210555 0.986813 0.900652 Ti\n0.629779 0.027216 0.033466 Ti\n0.865625 0.738751 0.232580 Ti\n0.031517 0.342141 0.191023 Ti\n0.905966 0.304945 0.368428 Ti\n0.607934 0.223665 0.894290 Ti\n0.267521 0.879015 0.276460 Ti\n0.106823 0.963006 0.663569 Ti\n0.531720 0.723434 0.809808 Ti\n0.983950 0.475474 0.575133 Ti\n0.732641 0.863838 0.858168 Ti\n0.277533 0.776475 0.456712 Ti\n0.856581 0.266390 0.055001 Ti\n0.169721 0.362646 0.603944 Ti\n0.327434 0.758827 0.987611 Ti\n0.308363 0.108576 0.340459 Ti\n0.275003 0.263678 0.186657 Ti\n0.950583 0.547862 0.881253 Ti\n0.367186 0.573635 0.841189 Ti\n0.767802 0.413902 0.503571 Ti\n0.404676 0.069959 0.721985 Ti\n0.470505 0.591071 0.039632 Ti\n0.682769 0.967550 0.519102 Ti\n0.188581 0.573776 0.498051 Ti\n0.812036 0.357496 0.874939 Ti\n0.059359 0.635642 0.146141 Ti\n0.312183 0.856471 0.751313 Ti\n0.096747 0.743358 0.605899 Ti\n0.219624 0.029986 0.119010 Ti\n0.812368 0.911412 0.085275 Ti\n0.813912 0.953660 0.336003 Ti\n0.062784 0.511445 0.336337 Ti\n0.207355 0.175160 0.757786 Ti\n0.344060 0.230906 0.544348 Ti\n0.266155 0.653471 0.247423 Ti\n0.060984 0.740786 0.364298 Ti\n0.029063 0.357727 0.774861 Ti\n0.433981 0.116792 0.139788 Ti\n0.531025 0.136393 0.533693 Ti\n0.790747 0.498740 0.709044 Ti\n0.923289 0.747837 0.982549 Ti\n0.239493 0.464825 0.151960 Ti\n0.887090 0.500997 0.091994 Ti\n0.931113 0.264652 0.596926 Ti\n0.724298 0.235958 0.691443 Ti\n0.486554 0.262246 0.321184 Ti\n0.985100 0.142422 0.799048 Ti\n",
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{
"id": "mp-1186778",
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"structure_string": "Sr1 Yb1 Eu2\n1.0\n0.000000 4.483142 4.483142\n4.483142 0.000000 4.483142\n4.483142 4.483142 0.000000\nSr Yb Eu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n",
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