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{
"id": "mp-1201289",
"created_at": "2022-09-04T14:43:05.122016Z",
"structure_string": "K2 Ca1 Zr1 H16 C8 O24\n1.0\n0.000000 0.000000 -9.089330\n-5.735056 5.735056 -4.544665\n5.735056 5.735056 -4.544665\nK Ca Zr H C O\n2 1 1 16 8 24\ndirect\n0.500000 0.000000 0.000000 K\n0.250000 0.500000 0.500000 K\n0.750000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Zr\n0.750229 0.842297 0.638034 H\n0.230560 0.157703 0.361966 H\n0.611737 0.638034 0.157703 H\n0.407474 0.361966 0.842297 H\n0.871103 0.931423 0.607543 H\n0.410069 0.068577 0.392457 H\n0.521354 0.607543 0.068577 H\n0.197474 0.392457 0.931423 H\n0.230166 0.895598 0.422122 H\n0.547885 0.104402 0.577878 H\n0.347712 0.422122 0.104402 H\n0.874237 0.577878 0.895598 H\n0.134667 0.862674 0.339956 H\n0.337297 0.137326 0.660044 H\n0.525377 0.339956 0.137326 H\n0.002659 0.660044 0.862674 H\n0.417879 0.781207 0.775308 C\n0.974394 0.218793 0.224692 C\n0.806813 0.775308 0.218793 C\n0.800914 0.224692 0.781207 C\n0.306476 0.724958 0.738332 C\n0.769765 0.275042 0.261668 C\n0.955193 0.738332 0.275042 C\n0.968566 0.261668 0.724958 C\n0.315512 0.895142 0.884378 O\n0.095032 0.104858 0.115622 O\n0.800110 0.884378 0.104858 O\n0.789346 0.115622 0.895142 O\n0.125848 0.803867 0.820941 O\n0.750657 0.196133 0.179059 O\n0.053211 0.820941 0.196133 O\n0.070285 0.179059 0.803867 O\n0.592992 0.715016 0.699824 O\n0.007832 0.284984 0.300176 O\n0.707184 0.699824 0.284984 O\n0.691992 0.300176 0.715016 O\n0.393220 0.612130 0.637587 O\n0.642937 0.387870 0.362413 O\n0.969193 0.637587 0.387870 O\n0.994650 0.362413 0.612130 O\n0.740785 0.947212 0.654786 O\n0.342783 0.052788 0.345214 O\n0.604429 0.654786 0.052788 O\n0.312003 0.345214 0.947212 O\n0.144542 0.848993 0.443369 O\n0.436904 0.151007 0.556631 O\n0.412089 0.443369 0.151007 O\n0.006465 0.556631 0.848993 O\n",
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"volume_molar": 6.924441516893104,
"formula_full": "K2 Ca1 Zr1 H16 C8 O24",
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"spacegroup": 82
},
{
"id": "mp-3939",
"created_at": "2022-09-04T14:43:05.124116Z",
"structure_string": "Sm1 Si2 Ni2\n1.0\n-2.009357 2.009357 4.785523\n2.009357 -2.009357 4.785523\n2.009357 2.009357 -4.785523\nSm Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.628804 0.628804 0.000000 Si\n0.371196 0.371196 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"spacegroup": 139
},
{
"id": "mp-1175032",
"created_at": "2022-09-04T14:43:05.178622Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n-2.980975 0.000000 0.000000\n1.217320 7.507148 0.000000\n-0.219450 -2.997952 -9.685940\nLi Mn Co O\n7 2 3 12\ndirect\n0.823951 0.661752 0.748551 Li\n0.174603 0.336333 0.245848 Li\n0.514428 0.011565 0.754738 Li\n0.166011 0.331852 0.759661 Li\n0.492757 0.997029 0.251027 Li\n0.831979 0.668579 0.246050 Li\n0.654965 0.327067 0.991325 Li\n0.003993 0.006632 0.999752 Mn\n0.331385 0.666866 0.499519 Mn\n0.005756 0.001297 0.500126 Co\n0.330956 0.655188 0.003974 Co\n0.659606 0.328536 0.499234 Co\n0.439461 0.844216 0.898394 O\n0.712177 0.493511 0.379930 O\n0.070442 0.150891 0.881696 O\n0.736120 0.520794 0.886980 O\n0.090298 0.164203 0.385793 O\n0.388634 0.837751 0.386385 O\n0.242845 0.501346 0.615436 O\n0.554157 0.143989 0.109169 O\n0.946285 0.835854 0.613857 O\n0.621286 0.166916 0.614887 O\n0.941235 0.828148 0.110492 O\n0.266671 0.519683 0.117176 O\n",
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"volume": 216.75797553584925,
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-7945",
"created_at": "2022-09-04T14:43:05.193715Z",
"structure_string": "V12 S4\n1.0\n-4.726075 4.726075 2.275016\n4.726075 -4.726075 2.275016\n4.726075 4.726075 -2.275016\nV S\n12 4\ndirect\n0.062465 0.062465 0.600829 V\n0.538364 0.937535 0.000000 V\n0.937535 0.538364 0.000000 V\n0.461636 0.461636 0.399171 V\n0.642388 0.000000 0.642388 V\n0.000000 0.357612 0.357612 V\n0.000000 0.642388 0.642388 V\n0.357612 0.000000 0.357612 V\n0.853584 0.853584 0.182907 V\n0.329323 0.146416 0.000000 V\n0.146416 0.329323 0.000000 V\n0.670677 0.670677 0.817093 V\n0.788749 0.500000 0.288749 S\n0.500000 0.211251 0.711251 S\n0.500000 0.788749 0.288749 S\n0.211251 0.500000 0.711251 S\n",
"nsites": 16,
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"updated_at": "2021-11-28T01:36:05.850000Z",
"spacegroup": 121
},
{
"id": "mp-1226804",
"created_at": "2022-09-04T14:43:05.195718Z",
"structure_string": "Ce3 Ge1 S2\n1.0\n-2.060638 2.904419 6.154720\n2.060638 -2.904419 6.154720\n2.060638 2.904419 -6.154720\nCe Ge S\n3 1 2\ndirect\n0.328154 0.328154 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.671846 0.671846 0.000000 Ce\n0.500000 0.000000 0.500000 Ge\n0.165026 0.665026 0.500000 S\n0.834974 0.334974 0.500000 S\n",
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],
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{
"id": "mp-1177763",
"created_at": "2022-09-04T14:43:05.199331Z",
"structure_string": "Li6 V10 P14 O58\n1.0\n6.360285 -0.016474 -0.013337\n3.127583 9.935122 -0.060801\n1.796731 -0.195028 19.188152\nLi V P O\n6 10 14 58\ndirect\n0.313696 0.094653 0.496382 Li\n0.347413 0.387150 0.751291 Li\n0.181490 0.669271 0.845137 Li\n0.896850 0.884229 0.070231 Li\n0.861188 0.327455 0.136734 Li\n0.656492 0.605394 0.248001 Li\n0.078492 0.042985 0.652683 V\n0.329333 0.312245 0.017090 V\n0.404267 0.141016 0.164055 V\n0.087201 0.753494 0.199840 V\n0.209207 0.364334 0.393305 V\n0.798070 0.641115 0.603336 V\n0.914452 0.245113 0.805850 V\n0.605084 0.859604 0.831349 V\n0.657420 0.692624 0.983453 V\n0.924799 0.960382 0.350138 V\n0.143518 0.433961 0.227233 P\n0.044298 0.683486 0.452638 P\n0.172988 0.643517 0.026937 P\n0.387935 0.046097 0.337167 P\n0.258801 0.722018 0.575600 P\n0.424738 0.202221 0.848807 P\n0.084553 0.918669 0.806580 P\n0.917158 0.081665 0.192636 P\n0.575607 0.795682 0.153325 P\n0.751532 0.281823 0.421298 P\n0.619355 0.954905 0.659918 P\n0.822079 0.362746 0.975170 P\n0.963442 0.317943 0.544558 P\n0.865389 0.563653 0.769587 P\n0.012303 0.300972 0.022124 O\n0.085936 0.155820 0.165562 O\n0.005330 0.061106 0.836992 O\n0.066674 0.173074 0.568671 O\n0.179504 0.495607 0.040818 O\n0.143152 0.345023 0.490223 O\n0.386862 0.102199 0.262609 O\n0.301249 0.334583 0.172703 O\n0.410494 0.166547 0.066549 O\n0.154065 0.718404 0.096738 O\n0.012700 0.818167 0.283666 O\n0.316948 0.158380 0.394143 O\n0.128443 0.568449 0.399438 O\n0.205199 0.565598 0.220528 O\n0.227762 0.377215 0.299240 O\n0.218816 0.257885 0.807252 O\n0.103628 0.651766 0.613628 O\n0.108452 0.551470 0.776057 O\n0.388265 0.045793 0.646181 O\n0.250149 0.693818 0.492498 O\n0.493083 0.050918 0.858459 O\n0.377686 0.274178 0.920948 O\n0.113361 0.913321 0.726700 O\n0.194164 0.875747 0.585104 O\n0.609366 0.355598 0.018773 O\n0.698452 0.169390 0.164580 O\n0.226555 0.959867 0.350423 O\n0.513786 0.354512 0.406782 O\n0.399954 0.758091 0.202953 O\n0.596800 0.253176 0.802677 O\n0.496489 0.643615 0.588428 O\n0.775938 0.041124 0.645702 O\n0.306565 0.834077 0.833677 O\n0.376446 0.648877 0.978486 O\n0.821494 0.127529 0.413529 O\n0.885857 0.084377 0.272456 O\n0.601195 0.726863 0.081288 O\n0.538735 0.946791 0.139970 O\n0.755265 0.313640 0.503723 O\n0.621080 0.954786 0.349349 O\n0.901528 0.446002 0.220520 O\n0.905247 0.352194 0.382564 O\n0.788158 0.733051 0.190555 O\n0.783282 0.616960 0.697365 O\n0.812478 0.428821 0.777397 O\n0.887174 0.427878 0.598991 O\n0.688758 0.833652 0.609950 O\n0.988681 0.176371 0.715191 O\n0.855414 0.291693 0.904384 O\n0.589577 0.831191 0.931862 O\n0.703498 0.663370 0.822986 O\n0.616349 0.902021 0.736944 O\n0.870611 0.650992 0.506099 O\n0.813674 0.511947 0.961070 O\n0.949240 0.823685 0.423102 O\n0.984640 0.940626 0.158841 O\n0.924479 0.838233 0.834232 O\n0.962329 0.721039 0.991513 O\n",
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"formula_full": "Li6 V10 P14 O58",
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{
"id": "mp-764720",
"created_at": "2022-09-04T14:43:05.220419Z",
"structure_string": "Li2 Fe4 B4 O12\n1.0\n5.245050 0.000000 0.000000\n-2.606059 4.591663 0.000000\n-0.007632 -0.283188 10.131905\nLi Fe B O\n2 4 4 12\ndirect\n0.331186 0.348646 0.843532 Li\n0.664558 0.660568 0.121877 Li\n0.322804 0.979403 0.621074 Fe\n0.993483 0.679107 0.873086 Fe\n0.003038 0.327170 0.120501 Fe\n0.668144 0.011977 0.367943 Fe\n0.667982 0.005917 0.870877 B\n0.991425 0.325510 0.623653 B\n0.997868 0.667012 0.367711 B\n0.332709 0.997821 0.120542 B\n0.727539 0.107885 0.566851 O\n0.924691 0.260020 0.905199 O\n0.425389 0.023194 0.820861 O\n0.014080 0.590770 0.660497 O\n0.352931 0.264657 0.109490 O\n0.217638 0.273221 0.646671 O\n0.772378 0.719282 0.345514 O\n0.644945 0.737322 0.887125 O\n0.978476 0.402896 0.332086 O\n0.575514 0.976737 0.167395 O\n0.076860 0.740243 0.084631 O\n0.264007 0.885849 0.423642 O\n",
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{
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"structure_string": "Sc2 Si2\n1.0\n2.001273 -4.952787 0.000000\n2.001273 4.952787 0.000000\n0.000000 0.000000 3.667931\nSc Si\n2 2\ndirect\n0.138881 0.861119 0.250000 Sc\n0.861119 0.138881 0.750000 Sc\n0.418708 0.581292 0.250000 Si\n0.581292 0.418708 0.750000 Si\n",
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{
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}