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{
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{
"id": "mp-1179324",
"created_at": "2022-09-04T14:39:05.633674Z",
"structure_string": "Ti6 V4 O18\n1.0\n2.710372 9.288198 0.000000\n-2.710372 9.288198 0.000000\n0.000000 1.245984 6.800675\nTi V O\n6 4 18\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.117938 0.278988 0.464547 Ti\n0.721012 0.882062 0.035453 Ti\n0.882062 0.721012 0.535453 Ti\n0.278988 0.117938 0.964547 Ti\n0.610767 0.535225 0.610881 V\n0.464775 0.389233 0.889119 V\n0.389233 0.464775 0.389119 V\n0.535225 0.610767 0.110881 V\n0.959656 0.223573 0.512502 O\n0.776427 0.040344 0.987498 O\n0.040344 0.776427 0.487498 O\n0.223573 0.959656 0.012502 O\n0.793770 0.591661 0.564241 O\n0.408339 0.206230 0.935759 O\n0.206230 0.408339 0.435759 O\n0.591661 0.793770 0.064241 O\n0.613462 0.300624 0.612762 O\n0.699376 0.386538 0.887238 O\n0.386538 0.699376 0.387238 O\n0.300624 0.613462 0.112762 O\n0.906599 0.702129 0.808344 O\n0.297871 0.093401 0.691656 O\n0.093401 0.297871 0.191656 O\n0.702129 0.906599 0.308344 O\n0.185383 0.814617 0.750000 O\n0.814617 0.185383 0.250000 O\n",
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{
"id": "mp-558088",
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"structure_string": "Al18 P18 O72\n1.0\n16.222783 9.372556 0.000000\n-16.222783 9.372556 0.000000\n0.000000 0.004039 8.528252\nAl P O\n18 18 72\ndirect\n0.316630 0.493368 0.262587 Al\n0.574116 0.990880 0.761898 Al\n0.662182 0.166676 0.263514 Al\n0.493368 0.316630 0.262587 Al\n0.416562 0.989805 0.261122 Al\n0.564422 0.564422 0.264459 Al\n0.155564 0.492630 0.764540 Al\n0.485083 0.813813 0.264469 Al\n0.166676 0.662182 0.263514 Al\n0.404713 0.404713 0.762686 Al\n0.481804 0.650627 0.764105 Al\n0.813813 0.485083 0.264469 Al\n0.990880 0.574116 0.761898 Al\n0.989805 0.416562 0.261122 Al\n0.327095 0.820340 0.764275 Al\n0.650627 0.481804 0.764105 Al\n0.492630 0.155564 0.764540 Al\n0.820340 0.327095 0.764275 Al\n0.158512 0.494498 0.389375 P\n0.313989 0.491797 0.890658 P\n0.325595 0.821101 0.388529 P\n0.988043 0.413015 0.886540 P\n0.662266 0.167598 0.890894 P\n0.403100 0.403100 0.389172 P\n0.576991 0.990945 0.390000 P\n0.990945 0.576991 0.390000 P\n0.482026 0.652572 0.388676 P\n0.821101 0.325595 0.388529 P\n0.566232 0.566232 0.885086 P\n0.491797 0.313989 0.890658 P\n0.167598 0.662266 0.890894 P\n0.494498 0.158512 0.389375 P\n0.486848 0.812715 0.890095 P\n0.413015 0.988043 0.886540 P\n0.812715 0.486848 0.890095 P\n0.652572 0.482026 0.388676 P\n0.388570 0.804986 0.301890 O\n0.488438 0.291555 0.064478 O\n0.589876 0.404238 0.298865 O\n0.471412 0.629431 0.563255 O\n0.629431 0.471412 0.563255 O\n0.080211 0.647553 0.858554 O\n0.600142 0.995892 0.564025 O\n0.491256 0.796858 0.065195 O\n0.173744 0.585569 0.849537 O\n0.796858 0.491256 0.065195 O\n0.494384 0.739294 0.370490 O\n0.347465 0.834265 0.563463 O\n0.909191 0.331044 0.848298 O\n0.495689 0.139650 0.563915 O\n0.480023 0.989147 0.779598 O\n0.420247 0.329651 0.852916 O\n0.683128 0.188686 0.064591 O\n0.176329 0.576398 0.313092 O\n0.382949 0.382949 0.563754 O\n0.558330 0.899067 0.847108 O\n0.995892 0.600142 0.564025 O\n0.647553 0.080211 0.858554 O\n0.083597 0.421529 0.308221 O\n0.899067 0.558330 0.847108 O\n0.390487 0.575958 0.855059 O\n0.066763 0.408951 0.851431 O\n0.739294 0.494384 0.370490 O\n0.435604 0.987163 0.060329 O\n0.484744 0.484744 0.372302 O\n0.911326 0.567533 0.317987 O\n0.327648 0.898512 0.318849 O\n0.233540 0.483108 0.372316 O\n0.575958 0.390487 0.855059 O\n0.066840 0.644895 0.303628 O\n0.576398 0.176329 0.313092 O\n0.333762 0.411536 0.310239 O\n0.644895 0.066840 0.303628 O\n0.404238 0.589876 0.298865 O\n0.548644 0.548644 0.061751 O\n0.238485 0.747603 0.369308 O\n0.834265 0.347465 0.563463 O\n0.735405 0.229240 0.791286 O\n0.497331 0.497331 0.786549 O\n0.989147 0.480023 0.779598 O\n0.421529 0.083597 0.308221 O\n0.229240 0.735405 0.791286 O\n0.411536 0.333762 0.310239 O\n0.567533 0.911326 0.317987 O\n0.804605 0.402605 0.853618 O\n0.241086 0.480694 0.791012 O\n0.139650 0.495689 0.563915 O\n0.585569 0.173744 0.849537 O\n0.329651 0.420247 0.852916 O\n0.990182 0.494796 0.374612 O\n0.408951 0.066763 0.851431 O\n0.188686 0.683128 0.064591 O\n0.651774 0.558607 0.321782 O\n0.568209 0.647247 0.842316 O\n0.494796 0.990182 0.374612 O\n0.898512 0.327648 0.318849 O\n0.402605 0.804605 0.853618 O\n0.747603 0.238485 0.369308 O\n0.496844 0.749018 0.794532 O\n0.483108 0.233540 0.372316 O\n0.804986 0.388570 0.301890 O\n0.558607 0.651774 0.321782 O\n0.331044 0.909191 0.848298 O\n0.291555 0.488438 0.064478 O\n0.480694 0.241086 0.791012 O\n0.987163 0.435604 0.060329 O\n0.647247 0.568209 0.842316 O\n0.749018 0.496844 0.794532 O\n",
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"density_atomic": 0.04164379808638672,
"volume": 2593.423389863784,
"volume_molar": 14.46107472595932,
"formula_full": "Al18 P18 O72",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy": -855.4146394100001,
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"updated_at": "2021-11-28T01:34:35.233000Z",
"spacegroup": 8
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{
"id": "mp-23007",
"created_at": "2022-09-04T14:39:05.660084Z",
"structure_string": "Sb4 S4 I4\n1.0\n3.675182 0.000000 0.000000\n0.000000 12.236944 0.000000\n0.000000 0.000000 16.135263\nSb S I\n4 4 4\ndirect\n0.250000 0.312839 0.364010 Sb\n0.750000 0.812839 0.135990 Sb\n0.750000 0.687161 0.635990 Sb\n0.250000 0.187161 0.864010 Sb\n0.250000 0.928835 0.075815 S\n0.750000 0.071165 0.924185 S\n0.250000 0.571165 0.575815 S\n0.750000 0.428835 0.424185 S\n0.750000 0.317477 0.212078 I\n0.250000 0.682523 0.787922 I\n0.250000 0.817477 0.287922 I\n0.750000 0.182523 0.712078 I\n",
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"density": 2.5696218854007005,
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"volume": 725.6511235826752,
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"formula_full": "Sb4 S4 I4",
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"formula_anonymous": "ABC",
"energy": -43.21759772,
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{
"id": "mp-1233269",
"created_at": "2022-09-04T14:39:05.494613Z",
"structure_string": "Mg1 Cu1 P4 Ru2 O14\n1.0\n4.982862 -0.118641 0.274295\n-1.985673 -6.512673 0.312995\n-0.156315 0.235110 -8.566573\nMg Cu P Ru O\n1 1 4 2 14\ndirect\n0.903921 0.884155 0.648606 Mg\n0.025013 0.159412 0.383922 Cu\n0.381190 0.723795 0.835119 P\n0.600401 0.261655 0.188680 P\n0.993257 0.663178 0.292603 P\n0.004501 0.328702 0.724360 P\n0.499140 0.493357 0.508654 Ru\n0.990646 0.992110 0.011229 Ru\n0.108102 0.843899 0.199920 O\n0.879287 0.132945 0.803358 O\n0.499913 0.741313 0.671726 O\n0.500887 0.247214 0.355129 O\n0.231282 0.484815 0.848525 O\n0.758884 0.498126 0.173881 O\n0.149428 0.837241 0.830714 O\n0.823538 0.137673 0.181917 O\n0.207570 0.556531 0.347931 O\n0.801776 0.441950 0.667145 O\n0.599128 0.785413 0.972472 O\n0.376968 0.201715 0.052095 O\n0.178756 0.256328 0.596058 O\n0.833633 0.726623 0.432517 O\n",
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{
"id": "mp-676880",
"created_at": "2022-09-04T14:39:05.497769Z",
"structure_string": "Ce10 U1 S16\n1.0\n8.487559 0.000000 0.000000\n0.000000 8.487559 0.000000\n0.000000 0.000000 8.466998\nCe U S\n10 1 16\ndirect\n0.875178 0.755329 0.862306 Ce\n0.244671 0.875178 0.137694 Ce\n0.500000 0.000000 0.753372 Ce\n0.124822 0.244671 0.862306 Ce\n0.755329 0.124822 0.137694 Ce\n0.366477 0.245523 0.380341 Ce\n0.754477 0.366477 0.619659 Ce\n0.000000 0.500000 0.246628 Ce\n0.245523 0.633523 0.619659 Ce\n0.633523 0.754477 0.380341 Ce\n0.500000 0.500000 0.000000 U\n0.332653 0.921497 0.455679 S\n0.569224 0.819606 0.051890 S\n0.921063 0.818503 0.186783 S\n0.430776 0.180394 0.051890 S\n0.078937 0.181497 0.186783 S\n0.181497 0.921063 0.813217 S\n0.667347 0.078503 0.455679 S\n0.818503 0.078937 0.813217 S\n0.819606 0.430776 0.948110 S\n0.078503 0.332653 0.544321 S\n0.426048 0.328172 0.704580 S\n0.921497 0.667347 0.544321 S\n0.573952 0.671828 0.704580 S\n0.180394 0.569224 0.948110 S\n0.671828 0.426048 0.295420 S\n0.328172 0.573952 0.295420 S\n",
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{
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"structure_string": "Ag1 Pd1 O2\n1.0\n3.054430 0.000000 0.000000\n0.000000 3.407440 0.000000\n0.000000 0.000000 5.496320\nAg Pd O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.244620 O\n0.500000 0.000000 0.755380 O\n",
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{
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"structure_string": "Er1 Ti1 Fe11 N1\n1.0\n0.000000 0.000000 4.777524\n-4.309147 4.273705 2.388762\n-4.309147 -4.273705 -2.388762\nEr Ti Fe N\n1 1 11 1\ndirect\n0.006732 0.993268 0.006732 Er\n0.635015 0.364985 0.635015 Ti\n0.725829 0.774171 0.225829 Fe\n0.277445 0.222555 0.777445 Fe\n0.497388 0.780001 0.774777 Fe\n0.497388 0.225223 0.219999 Fe\n0.499961 0.997472 0.498579 Fe\n0.001146 0.997472 0.498579 Fe\n0.499961 0.501421 0.002528 Fe\n0.001146 0.501421 0.002528 Fe\n0.356984 0.643016 0.356984 Fe\n0.999822 0.359121 0.358764 Fe\n0.999822 0.641236 0.640879 Fe\n0.501361 0.998639 0.001361 N\n",
"nsites": 14,
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"formula_full": "Er1 Ti1 Fe11 N1",
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{
"id": "mp-867173",
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"structure_string": "Sr1 In1 Hg2\n1.0\n0.000000 3.823966 3.823966\n3.823966 0.000000 3.823966\n3.823966 3.823966 0.000000\nSr In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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