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{
"id": "mp-1206653",
"created_at": "2022-09-04T14:46:33.513532Z",
"structure_string": "Hg4 Sb1 O6\n1.0\n4.705237 0.432228 -1.334201\n-0.695703 4.554678 -1.477926\n-0.171002 0.175880 8.649524\nHg Sb O\n4 1 6\ndirect\n0.097665 0.433357 0.636652 Hg\n0.256327 0.602743 0.982426 Hg\n0.473347 0.814832 0.405531 Hg\n0.624320 0.967492 0.751395 Hg\n0.863365 0.209040 0.193904 Sb\n0.968562 0.935504 0.983988 O\n0.114551 0.515950 0.193748 O\n0.179997 0.142515 0.401974 O\n0.548426 0.274565 0.985479 O\n0.614900 0.901614 0.194068 O\n0.761240 0.483189 0.404036 O\n",
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{
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{
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"structure_string": "Ca1 Ho1 O3\n1.0\n4.311328 0.000000 0.000000\n0.000000 4.311328 0.000000\n0.000000 0.000000 4.311328\nCa Ho O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "mp-862837",
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"structure_string": "Pm1 Al1 Ag2\n1.0\n0.000000 3.485201 3.485201\n3.485201 0.000000 3.485201\n3.485201 3.485201 0.000000\nPm Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
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{
"id": "mp-1217097",
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"structure_string": "Ti2 Ni1 Pd1\n1.0\n2.774292 0.000000 0.000000\n0.000000 4.454056 0.000000\n0.000000 0.000000 4.775382\nTi Ni Pd\n2 1 1\ndirect\n0.000000 0.500000 0.793352 Ti\n0.000000 0.000000 0.210706 Ti\n0.500000 0.500000 0.309418 Ni\n0.500000 0.000000 0.686523 Pd\n",
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"spacegroup": 25
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{
"id": "mp-1259569",
"created_at": "2022-09-04T14:46:33.769127Z",
"structure_string": "Ba14 Al12 Te32\n1.0\n7.107755 0.212271 4.385388\n3.624925 5.929722 2.138444\n7.209151 0.238437 58.635258\nBa Al Te\n14 12 32\ndirect\n0.755549 0.931767 0.992245 Ba\n0.318413 0.957539 0.243627 Ba\n0.779105 0.029304 0.133187 Ba\n0.248384 0.068504 0.360173 Ba\n0.775829 0.983211 0.249858 Ba\n0.250134 0.087956 0.486078 Ba\n0.801985 0.923385 0.365025 Ba\n0.237009 0.093339 0.612067 Ba\n0.817008 0.916271 0.490410 Ba\n0.203548 0.105388 0.737894 Ba\n0.801155 0.932588 0.615765 Ba\n0.231603 0.963475 0.886821 Ba\n0.777955 0.930906 0.740333 Ba\n0.671920 0.092059 0.885420 Ba\n0.671416 0.603205 0.082971 Al\n0.785614 0.411444 0.185243 Al\n0.338688 0.500236 0.421414 Al\n0.757756 0.472074 0.308979 Al\n0.334231 0.504878 0.548523 Al\n0.755345 0.473734 0.436858 Al\n0.310827 0.515784 0.673910 Al\n0.744436 0.486022 0.562365 Al\n0.244291 0.515176 0.842629 Al\n0.737132 0.499657 0.686992 Al\n0.774244 0.509676 0.814011 Al\n0.632833 0.535433 0.946347 Al\n0.145538 0.428509 0.054378 Te\n0.184173 0.441404 0.151094 Te\n0.353506 0.906539 0.067335 Te\n0.516632 0.366949 0.086201 Te\n0.160725 0.461482 0.265425 Te\n0.426423 0.779906 0.182687 Te\n0.819061 0.036742 0.186407 Te\n0.750111 0.598688 0.119987 Te\n0.148734 0.473737 0.391811 Te\n0.382407 0.820220 0.306782 Te\n0.757288 0.116097 0.306112 Te\n0.880698 0.441778 0.219148 Te\n0.144578 0.483353 0.518918 Te\n0.392985 0.836802 0.432916 Te\n0.778225 0.108518 0.431339 Te\n0.718069 0.491010 0.358592 Te\n0.136801 0.496395 0.642639 Te\n0.384285 0.851314 0.557955 Te\n0.768092 0.120523 0.556604 Te\n0.714264 0.495335 0.485844 Te\n0.136378 0.507285 0.765297 Te\n0.366277 0.860499 0.683324 Te\n0.742117 0.139886 0.682228 Te\n0.699724 0.506306 0.611614 Te\n0.071492 0.524678 0.898813 Te\n0.337209 0.855330 0.821452 Te\n0.699333 0.168985 0.819674 Te\n0.685991 0.515915 0.735905 Te\n0.294526 0.913111 0.941550 Te\n0.635368 0.190517 0.941036 Te\n0.858808 0.517393 0.853541 Te\n0.653776 0.501786 0.989244 Te\n",
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"formula_full": "Ba14 Al12 Te32",
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"energy": -239.42528616,
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{
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"structure_string": "Co3 W1\n1.0\n3.602456 0.000000 0.000000\n0.000000 3.602456 0.000000\n0.000000 0.000000 3.602456\nCo W\n3 1\ndirect\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 W\n",
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{
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"structure_string": "Pb1 Au3\n1.0\n0.000000 3.481996 3.481996\n3.481996 0.000000 3.481996\n3.481996 3.481996 0.000000\nPb Au\n1 3\ndirect\n0.500000 0.500000 0.500000 Pb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "K12 Lu4 Si12 O36\n1.0\n5.867845 0.000000 0.000000\n0.000000 13.009900 0.000000\n0.000000 0.000000 14.117114\nK Lu Si O\n12 4 12 36\ndirect\n0.857139 0.336118 0.500000 K\n0.856145 0.348355 0.000000 K\n0.341097 0.626211 0.735157 K\n0.143855 0.848355 0.500000 K\n0.345569 0.121540 0.500000 K\n0.658903 0.126211 0.235157 K\n0.341097 0.626211 0.264843 K\n0.303843 0.107097 0.000000 K\n0.658903 0.126211 0.764843 K\n0.654431 0.621540 0.000000 K\n0.696157 0.607097 0.500000 K\n0.142861 0.836118 0.000000 K\n0.144816 0.959324 0.242982 Lu\n0.855184 0.459324 0.257018 Lu\n0.144816 0.959324 0.757018 Lu\n0.855184 0.459324 0.742982 Lu\n0.348979 0.420119 0.115887 Si\n0.829897 0.743707 0.733026 Si\n0.651021 0.920119 0.384113 Si\n0.829897 0.743707 0.266974 Si\n0.170103 0.243707 0.233026 Si\n0.654841 0.882465 0.111823 Si\n0.651021 0.920119 0.615887 Si\n0.170103 0.243707 0.766974 Si\n0.345159 0.382465 0.388177 Si\n0.345159 0.382465 0.611823 Si\n0.654841 0.882465 0.888177 Si\n0.348979 0.420119 0.884113 Si\n0.593984 0.469067 0.145002 O\n0.592153 0.434426 0.368991 O\n0.174451 0.121980 0.787189 O\n0.127393 0.484522 0.149094 O\n0.328763 0.295825 0.146601 O\n0.593984 0.469067 0.854998 O\n0.657727 0.837751 0.000000 O\n0.592153 0.434426 0.631009 O\n0.127393 0.484522 0.850906 O\n0.126885 0.455021 0.368662 O\n0.407847 0.934426 0.868991 O\n0.671237 0.795825 0.646601 O\n0.315620 0.268123 0.666798 O\n0.174451 0.121980 0.212811 O\n0.328763 0.295825 0.853399 O\n0.406016 0.969067 0.645002 O\n0.873115 0.955021 0.131338 O\n0.825549 0.621980 0.712811 O\n0.649567 0.907167 0.500000 O\n0.918957 0.294196 0.764347 O\n0.671237 0.795825 0.353399 O\n0.918957 0.294196 0.235653 O\n0.873115 0.955021 0.868662 O\n0.350433 0.407167 0.000000 O\n0.407847 0.934426 0.131009 O\n0.684380 0.768123 0.833202 O\n0.081043 0.794196 0.735653 O\n0.126885 0.455021 0.631338 O\n0.684380 0.768123 0.166798 O\n0.406016 0.969067 0.354998 O\n0.872607 0.984522 0.350906 O\n0.081043 0.794196 0.264347 O\n0.872607 0.984522 0.649094 O\n0.342273 0.337751 0.500000 O\n0.825549 0.621980 0.287189 O\n0.315620 0.268123 0.333202 O\n",
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{
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"structure_string": "Ag4 Pd2 Cl8\n1.0\n4.172269 -5.052904 0.000000\n4.172269 5.052904 0.000000\n0.000000 0.000000 8.247566\nAg Pd Cl\n4 2 8\ndirect\n0.028808 0.528808 0.750000 Ag\n0.471192 0.971192 0.250000 Ag\n0.528808 0.028808 0.750000 Ag\n0.971192 0.471192 0.250000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.192693 0.192693 0.794698 Cl\n0.307307 0.307307 0.294698 Cl\n0.692693 0.692693 0.705302 Cl\n0.807307 0.807307 0.205302 Cl\n0.730231 0.269769 0.500000 Cl\n0.769769 0.230231 0.000000 Cl\n0.230231 0.769769 0.000000 Cl\n0.269769 0.730231 0.500000 Cl\n",
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{
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},
{
"id": "mp-1205219",
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}