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{
"id": "mp-1246630",
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"structure_string": "Ca14 Pt2 N12\n1.0\n0.000000 -6.332550 0.000000\n-5.995189 -3.166275 -6.098367\n5.995189 -3.166275 -6.098367\nCa Pt N\n14 2 12\ndirect\n0.276170 0.952004 0.047996 Ca\n0.723830 0.047996 0.952004 Ca\n0.223830 0.452004 0.547996 Ca\n0.776170 0.547996 0.452004 Ca\n0.765509 0.151023 0.586652 Ca\n0.496815 0.586652 0.151023 Ca\n0.734491 0.913348 0.348977 Ca\n0.003185 0.348977 0.913348 Ca\n0.234491 0.848977 0.413348 Ca\n0.503185 0.413348 0.848977 Ca\n0.265509 0.086652 0.651023 Ca\n0.996815 0.651023 0.086652 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.750000 0.250000 0.250000 Pt\n0.250000 0.750000 0.750000 Pt\n0.002057 0.070863 0.316128 N\n0.610952 0.316128 0.070863 N\n0.497943 0.183872 0.429137 N\n0.889048 0.429137 0.183872 N\n0.997943 0.929137 0.683872 N\n0.389048 0.683872 0.929137 N\n0.502057 0.816128 0.570863 N\n0.110952 0.570863 0.816128 N\n0.890851 0.355926 0.644074 N\n0.109149 0.644074 0.355926 N\n0.609149 0.855926 0.144074 N\n0.390851 0.144074 0.855926 N\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.997026 0.000000 0.000000\n-0.183867 5.003449 0.000000\n-0.531880 -1.027584 19.289564\nLi Mn Co O\n9 2 5 16\ndirect\n0.994266 0.379203 0.123419 Li\n0.489871 0.628294 0.381623 Li\n0.995688 0.882944 0.620516 Li\n0.498911 0.126315 0.872154 Li\n0.504128 0.870685 0.126306 Li\n0.003059 0.113302 0.383840 Li\n0.509792 0.373929 0.619821 Li\n0.002691 0.622345 0.873756 Li\n0.500555 0.999690 0.500596 Li\n0.000876 0.999907 0.999775 Mn\n0.497566 0.249605 0.251248 Mn\n0.000420 0.500212 0.500246 Co\n0.500963 0.750398 0.748790 Co\n0.501586 0.499755 0.999557 Co\n0.997167 0.749987 0.251571 Co\n0.000823 0.250762 0.747896 Co\n0.465613 0.198871 0.058560 O\n0.972192 0.442718 0.307340 O\n0.515464 0.667937 0.554243 O\n0.005633 0.944277 0.806761 O\n0.965829 0.689343 0.057391 O\n0.466525 0.938337 0.308861 O\n0.996857 0.225677 0.555765 O\n0.509103 0.441008 0.806641 O\n0.532618 0.561256 0.193568 O\n0.003717 0.776443 0.444323 O\n0.492381 0.057982 0.690250 O\n0.034217 0.311467 0.942580 O\n0.027064 0.052723 0.193054 O\n0.486224 0.331276 0.445543 O\n0.993761 0.560936 0.692359 O\n0.534439 0.802418 0.941647 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
"id": "mp-556062",
"created_at": "2022-09-04T14:48:15.777732Z",
"structure_string": "Na2 Nb8 Tl6 P4 O34\n1.0\n5.047113 -10.836757 0.000000\n5.047113 10.836757 0.000000\n0.000000 0.000000 7.491019\nNa Nb Tl P O\n2 8 6 4 34\ndirect\n0.632099 0.632099 0.000000 Na\n0.632099 0.632099 0.500000 Na\n0.038475 0.345789 0.499351 Nb\n0.146538 0.673020 0.750000 Nb\n0.038475 0.345789 0.000649 Nb\n0.001009 0.001009 0.500000 Nb\n0.345789 0.038475 0.999351 Nb\n0.001009 0.001009 0.000000 Nb\n0.345789 0.038475 0.500649 Nb\n0.673020 0.146538 0.250000 Nb\n0.965733 0.687800 0.250000 Tl\n0.317945 0.713819 0.250000 Tl\n0.713819 0.317945 0.750000 Tl\n0.310529 0.366773 0.250000 Tl\n0.366773 0.310529 0.750000 Tl\n0.687800 0.965733 0.750000 Tl\n0.581207 0.351328 0.250000 P\n0.862001 0.686745 0.750000 P\n0.351328 0.581207 0.750000 P\n0.686745 0.862001 0.250000 P\n0.416767 0.116625 0.750000 O\n0.513179 0.653915 0.750000 O\n0.776786 0.899479 0.423761 O\n0.190352 0.060163 0.958776 O\n0.529532 0.073925 0.062538 O\n0.190352 0.060163 0.541224 O\n0.944564 0.000551 0.750000 O\n0.485339 0.272586 0.079683 O\n0.529532 0.073925 0.437462 O\n0.776786 0.899479 0.076239 O\n0.991957 0.285787 0.750000 O\n0.116625 0.416767 0.250000 O\n0.073925 0.529532 0.937462 O\n0.840929 0.235981 0.068415 O\n0.000551 0.944564 0.250000 O\n0.272586 0.485339 0.579683 O\n0.550425 0.700528 0.250000 O\n0.060163 0.190352 0.458776 O\n0.899479 0.776786 0.576239 O\n0.899479 0.776786 0.923761 O\n0.639409 0.957443 0.250000 O\n0.335909 0.703600 0.750000 O\n0.700528 0.550425 0.750000 O\n0.285787 0.991957 0.250000 O\n0.235981 0.840929 0.931585 O\n0.060163 0.190352 0.041224 O\n0.653915 0.513179 0.250000 O\n0.485339 0.272586 0.420317 O\n0.235981 0.840929 0.568415 O\n0.840929 0.235981 0.431585 O\n0.073925 0.529532 0.562538 O\n0.957443 0.639409 0.750000 O\n0.272586 0.485339 0.920317 O\n0.703600 0.335909 0.250000 O\n",
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"formula_full": "Na2 Nb8 Tl6 P4 O34",
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"spacegroup": 40
},
{
"id": "mp-1198715",
"created_at": "2022-09-04T14:48:31.566827Z",
"structure_string": "Er42 Rh28\n1.0\n-5.568992 5.568992 12.523257\n5.568992 -5.568992 12.523257\n5.568992 5.568992 -12.523257\nEr Rh\n42 28\ndirect\n0.632126 0.504212 0.279131 Er\n0.225081 0.352995 0.720869 Er\n0.132126 0.852995 0.127913 Er\n0.725081 0.004212 0.872087 Er\n0.352995 0.632126 0.127913 Er\n0.504212 0.225081 0.872087 Er\n0.004212 0.132126 0.279131 Er\n0.852995 0.725081 0.720869 Er\n0.367874 0.495788 0.720869 Er\n0.774919 0.647005 0.279131 Er\n0.867874 0.147005 0.872087 Er\n0.274919 0.995788 0.127913 Er\n0.647005 0.367874 0.872087 Er\n0.495788 0.774919 0.127913 Er\n0.995788 0.867874 0.720869 Er\n0.147005 0.274919 0.279131 Er\n0.386273 0.516946 0.290152 Er\n0.226794 0.096121 0.709848 Er\n0.886273 0.596121 0.869327 Er\n0.726794 0.016946 0.130673 Er\n0.096121 0.386273 0.869327 Er\n0.516946 0.226794 0.130673 Er\n0.016946 0.886273 0.290152 Er\n0.596121 0.726794 0.709848 Er\n0.613727 0.483054 0.709848 Er\n0.773206 0.903879 0.290152 Er\n0.113727 0.403879 0.130673 Er\n0.273206 0.983054 0.869327 Er\n0.903879 0.613727 0.130673 Er\n0.483054 0.773206 0.869327 Er\n0.983054 0.113727 0.709848 Er\n0.403879 0.273206 0.290152 Er\n0.849622 0.349622 0.199244 Er\n0.150378 0.650378 0.800756 Er\n0.349622 0.150378 0.500000 Er\n0.650378 0.849622 0.500000 Er\n0.388071 0.888071 0.500000 Er\n0.888071 0.388071 0.500000 Er\n0.611929 0.111929 0.500000 Er\n0.111929 0.611929 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.750000 0.250000 0.500000 Er\n0.714728 0.214728 0.142079 Rh\n0.072649 0.572649 0.857921 Rh\n0.214728 0.072649 0.500000 Rh\n0.572649 0.714728 0.500000 Rh\n0.285272 0.785272 0.857921 Rh\n0.927351 0.427351 0.142079 Rh\n0.785272 0.927351 0.500000 Rh\n0.427351 0.285272 0.500000 Rh\n0.465865 0.965865 0.808417 Rh\n0.157448 0.657448 0.191583 Rh\n0.965865 0.157448 0.500000 Rh\n0.657448 0.465865 0.500000 Rh\n0.534135 0.034135 0.191583 Rh\n0.842552 0.342552 0.808417 Rh\n0.034135 0.842552 0.500000 Rh\n0.342552 0.534135 0.500000 Rh\n0.596746 0.096746 0.693493 Rh\n0.403254 0.903254 0.306507 Rh\n0.096746 0.403254 0.500000 Rh\n0.903254 0.596746 0.500000 Rh\n0.366456 0.366456 0.000000 Rh\n0.866456 0.866456 0.000000 Rh\n0.633544 0.633544 0.000000 Rh\n0.133544 0.133544 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.750000 0.750000 0.000000 Rh\n",
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{
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{
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{
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{
"id": "mp-1039914",
"created_at": "2022-09-04T14:48:31.647478Z",
"structure_string": "Ba1 Mg30 Si1 O32\n1.0\n8.724332 0.000000 0.000000\n0.000000 8.724332 0.000000\n0.000000 0.000000 8.621189\nBa Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262161 0.000000 0.242980 Mg\n0.262161 0.000000 0.757020 Mg\n0.737839 0.000000 0.242980 Mg\n0.737839 0.000000 0.757020 Mg\n0.251644 0.500000 0.248971 Mg\n0.251644 0.500000 0.751029 Mg\n0.748356 0.500000 0.248971 Mg\n0.748356 0.500000 0.751029 Mg\n0.000000 0.262161 0.242980 Mg\n0.000000 0.262161 0.757020 Mg\n0.500000 0.251644 0.248971 Mg\n0.500000 0.251644 0.751029 Mg\n0.000000 0.737839 0.242980 Mg\n0.000000 0.737839 0.757020 Mg\n0.500000 0.748356 0.248971 Mg\n0.500000 0.748356 0.751029 Mg\n0.251710 0.251710 0.000000 Mg\n0.258141 0.258141 0.500000 Mg\n0.748290 0.251710 0.000000 Mg\n0.741859 0.258141 0.500000 Mg\n0.251710 0.748290 0.000000 Mg\n0.258141 0.741859 0.500000 Mg\n0.748290 0.748290 0.000000 Mg\n0.741859 0.741859 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.267564 0.000000 O\n0.000000 0.278252 0.500000 O\n0.500000 0.253601 0.000000 O\n0.500000 0.256186 0.500000 O\n0.000000 0.732436 0.000000 O\n0.000000 0.721748 0.500000 O\n0.500000 0.746399 0.000000 O\n0.500000 0.743814 0.500000 O\n0.249203 0.249203 0.250456 O\n0.249203 0.249203 0.749544 O\n0.750797 0.249203 0.250456 O\n0.750797 0.249203 0.749544 O\n0.249203 0.750797 0.250456 O\n0.249203 0.750797 0.749544 O\n0.750797 0.750797 0.250456 O\n0.750797 0.750797 0.749544 O\n0.000000 0.000000 0.217289 O\n0.000000 0.000000 0.782711 O\n0.500000 0.000000 0.247094 O\n0.500000 0.000000 0.752906 O\n0.000000 0.500000 0.247094 O\n0.000000 0.500000 0.752906 O\n0.500000 0.500000 0.249252 O\n0.500000 0.500000 0.750748 O\n0.267564 0.000000 0.000000 O\n0.278252 0.000000 0.500000 O\n0.732436 0.000000 0.000000 O\n0.721748 0.000000 0.500000 O\n0.253601 0.500000 0.000000 O\n0.256186 0.500000 0.500000 O\n0.746399 0.500000 0.000000 O\n0.743814 0.500000 0.500000 O\n",
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