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{
"id": "mp-1201570",
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"structure_string": "Na12 Mn6 Si12 O36\n1.0\n7.460255 0.000000 0.000000\n0.000000 10.418948 0.000000\n0.000000 0.000000 10.463384\nNa Mn Si O\n12 6 12 36\ndirect\n0.019732 0.234861 0.766235 Na\n0.980268 0.234861 0.233765 Na\n0.480268 0.265139 0.266235 Na\n0.519732 0.265139 0.733765 Na\n0.980268 0.765139 0.233765 Na\n0.019732 0.765139 0.766235 Na\n0.519732 0.734861 0.733765 Na\n0.480268 0.734861 0.266235 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.232756 0.500000 0.262932 Mn\n0.767244 0.500000 0.737068 Mn\n0.267244 0.000000 0.762932 Mn\n0.732756 0.000000 0.237068 Mn\n0.217427 0.227645 0.492953 Si\n0.782573 0.227645 0.507047 Si\n0.282573 0.272355 0.992953 Si\n0.717427 0.272355 0.007047 Si\n0.782573 0.772355 0.507047 Si\n0.217427 0.772355 0.492953 Si\n0.717427 0.727645 0.007047 Si\n0.282573 0.727645 0.992953 Si\n0.252014 0.500000 0.779584 Si\n0.747986 0.500000 0.220416 Si\n0.247986 0.000000 0.279584 Si\n0.752014 0.000000 0.720416 Si\n0.444680 0.500000 0.708193 O\n0.555320 0.500000 0.291807 O\n0.055320 0.000000 0.208193 O\n0.944680 0.000000 0.791807 O\n0.059865 0.500000 0.706945 O\n0.940135 0.500000 0.293055 O\n0.440135 0.000000 0.206945 O\n0.559865 0.000000 0.793055 O\n0.244051 0.372951 0.874077 O\n0.755949 0.372951 0.125923 O\n0.255949 0.127049 0.374077 O\n0.744051 0.127049 0.625923 O\n0.755949 0.627049 0.125923 O\n0.244051 0.627049 0.874077 O\n0.744051 0.872951 0.625923 O\n0.255949 0.872951 0.374077 O\n0.212826 0.337378 0.125416 O\n0.787174 0.337378 0.874584 O\n0.287174 0.162622 0.625416 O\n0.712826 0.162622 0.374584 O\n0.787174 0.662622 0.874584 O\n0.212826 0.662622 0.125416 O\n0.712826 0.837378 0.374584 O\n0.287174 0.837378 0.625416 O\n0.202681 0.137338 0.940819 O\n0.797319 0.137338 0.059181 O\n0.297319 0.362662 0.440819 O\n0.702681 0.362662 0.559181 O\n0.797319 0.862662 0.059181 O\n0.202681 0.862662 0.940819 O\n0.702681 0.637338 0.559181 O\n0.297319 0.637338 0.440819 O\n0.500000 0.249174 0.000000 O\n0.000000 0.250826 0.500000 O\n0.500000 0.750826 0.000000 O\n0.000000 0.749174 0.500000 O\n",
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"formula_full": "Na12 Mn6 Si12 O36",
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"updated_at": "2021-11-28T01:37:16.894000Z",
"spacegroup": 58
},
{
"id": "mp-1213554",
"created_at": "2022-09-04T14:39:09.157033Z",
"structure_string": "Dy4 As8 O8\n1.0\n-5.451406 5.451406 6.842252\n5.451406 -5.451406 6.842252\n5.451406 5.451406 -6.842252\nDy As O\n4 8 8\ndirect\n0.875000 0.125000 0.750000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.750000 Dy\n0.875000 0.125000 0.250000 Dy\n0.770095 0.388161 0.381933 As\n0.006228 0.388161 0.618067 As\n0.138161 0.256228 0.118067 As\n0.743772 0.861839 0.881933 As\n0.979905 0.861839 0.118067 As\n0.138161 0.020095 0.881933 As\n0.611839 0.993772 0.381933 As\n0.611839 0.229905 0.618067 As\n0.578540 0.274191 0.304349 O\n0.969842 0.274191 0.695651 O\n0.024191 0.219842 0.195651 O\n0.780158 0.975809 0.804349 O\n0.171460 0.975809 0.195651 O\n0.024191 0.828540 0.804349 O\n0.725809 0.030158 0.304349 O\n0.725809 0.421460 0.695651 O\n",
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{
"id": "mp-604789",
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"structure_string": "K4 Zn2 H24 S4 O28\n1.0\n12.415340 0.000000 0.000000\n0.000000 6.872235 0.000000\n0.000000 3.980256 9.532883\nK Zn H S O\n4 2 24 4 28\ndirect\n0.723109 0.348219 0.832854 K\n0.223109 0.651781 0.667146 K\n0.276891 0.651781 0.167146 K\n0.776891 0.348219 0.332854 K\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.099503 0.054330 0.747891 H\n0.172824 0.148704 0.014858 H\n0.599503 0.945670 0.752109 H\n0.850114 0.990129 0.699868 H\n0.957844 0.557894 0.848664 H\n0.350114 0.009871 0.800132 H\n0.024167 0.599678 0.228983 H\n0.542156 0.557894 0.348664 H\n0.475833 0.599678 0.728983 H\n0.042156 0.442106 0.151336 H\n0.755706 0.029272 0.589847 H\n0.744294 0.029272 0.089847 H\n0.672824 0.851296 0.485142 H\n0.524167 0.400322 0.271017 H\n0.400497 0.054330 0.247891 H\n0.975833 0.400322 0.771017 H\n0.149886 0.009871 0.300132 H\n0.649886 0.990129 0.199868 H\n0.244294 0.970728 0.410153 H\n0.457844 0.442106 0.651336 H\n0.327176 0.148704 0.514858 H\n0.900497 0.945670 0.252109 H\n0.827176 0.851296 0.985142 H\n0.255706 0.970728 0.910153 H\n0.114140 0.307000 0.523056 S\n0.385860 0.307000 0.023056 S\n0.885860 0.693000 0.476944 S\n0.614140 0.693000 0.976944 S\n0.922987 0.489696 0.791087 O\n0.178601 0.906332 0.386809 O\n0.077013 0.510304 0.208913 O\n0.478235 0.767650 0.394290 O\n0.410132 0.854440 0.286440 O\n0.899041 0.761228 0.311082 O\n0.100959 0.238772 0.688918 O\n0.600959 0.761228 0.811082 O\n0.678601 0.093668 0.113191 O\n0.850229 0.986713 0.986869 O\n0.821399 0.093668 0.613191 O\n0.350229 0.013287 0.513131 O\n0.589868 0.145560 0.713560 O\n0.422987 0.510304 0.708913 O\n0.321399 0.906332 0.886809 O\n0.978235 0.232350 0.105710 O\n0.272227 0.383086 0.983143 O\n0.021765 0.767650 0.894290 O\n0.772227 0.616914 0.516857 O\n0.399041 0.238772 0.188918 O\n0.227773 0.383086 0.483143 O\n0.577013 0.489696 0.291087 O\n0.149771 0.013287 0.013131 O\n0.727773 0.616914 0.016857 O\n0.089868 0.854440 0.786440 O\n0.649771 0.986713 0.486869 O\n0.521765 0.232350 0.605710 O\n0.910132 0.145560 0.213560 O\n",
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"elements": [
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],
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"formula_full": "K4 Zn2 H24 S4 O28",
"formula_reduced": "K2ZnH12(SO7)2",
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"energy": -319.23737417,
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{
"id": "mp-675327",
"created_at": "2022-09-04T14:45:21.791689Z",
"structure_string": "Ag18 Pb8 O24\n1.0\n10.441992 0.000000 0.000000\n0.000000 8.828375 0.000000\n0.000000 8.143246 8.823128\nAg Pb O\n18 8 24\ndirect\n0.747837 0.002591 0.622472 Ag\n0.000000 0.000000 0.500000 Ag\n0.743948 0.232163 0.259918 Ag\n0.252163 0.997409 0.377528 Ag\n0.999978 0.000088 0.248434 Ag\n0.499978 0.999912 0.251566 Ag\n0.256052 0.767837 0.740082 Ag\n0.752163 0.002591 0.122472 Ag\n0.250391 0.240445 0.005351 Ag\n0.500000 0.000000 0.000000 Ag\n0.247837 0.997409 0.877528 Ag\n0.756052 0.232163 0.759918 Ag\n0.750391 0.759555 0.494649 Ag\n0.000022 0.999912 0.751566 Ag\n0.500022 0.000088 0.748434 Ag\n0.243948 0.767837 0.240082 Ag\n0.249609 0.240445 0.505351 Ag\n0.749609 0.759555 0.994649 Ag\n0.083645 0.504818 0.124009 Pb\n0.916355 0.495182 0.875991 Pb\n0.580630 0.506474 0.869392 Pb\n0.416355 0.504818 0.624009 Pb\n0.080630 0.493526 0.630608 Pb\n0.919370 0.506474 0.369392 Pb\n0.583645 0.495182 0.375991 Pb\n0.419370 0.493526 0.130608 Pb\n0.250849 0.306574 0.283462 O\n0.560701 0.691329 0.935286 O\n0.937883 0.690719 0.933262 O\n0.062117 0.309281 0.066738 O\n0.439299 0.308671 0.064714 O\n0.747621 0.312402 0.029423 O\n0.749151 0.693426 0.716538 O\n0.063713 0.692120 0.686041 O\n0.435740 0.687201 0.688632 O\n0.563713 0.307880 0.813959 O\n0.935740 0.312799 0.811368 O\n0.249151 0.306574 0.783462 O\n0.247621 0.687598 0.470577 O\n0.562117 0.690719 0.433262 O\n0.939299 0.691329 0.435286 O\n0.060701 0.308671 0.564714 O\n0.437883 0.309281 0.566738 O\n0.752379 0.312402 0.529423 O\n0.750849 0.693426 0.216538 O\n0.064260 0.687201 0.188632 O\n0.436287 0.692120 0.186041 O\n0.564260 0.312799 0.311368 O\n0.936287 0.307880 0.313959 O\n0.252379 0.687598 0.970577 O\n",
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"formula_full": "Ag18 Pb8 O24",
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{
"id": "mp-767002",
"created_at": "2022-09-04T14:40:26.307460Z",
"structure_string": "Ti20 P4 O44\n1.0\n13.983678 0.000000 0.000000\n0.000000 7.615511 0.000000\n0.000000 6.337290 7.637915\nTi P O\n20 4 44\ndirect\n0.826315 0.741183 0.546985 Ti\n0.331321 0.475712 0.583121 Ti\n0.173035 0.745228 0.689396 Ti\n0.504362 0.556956 0.709048 Ti\n0.655642 0.978888 0.659926 Ti\n0.004362 0.443044 0.790952 Ti\n0.673035 0.254772 0.810604 Ti\n0.155642 0.021112 0.840074 Ti\n0.831321 0.524288 0.916879 Ti\n0.326315 0.258817 0.953015 Ti\n0.673685 0.741183 0.046985 Ti\n0.168679 0.475712 0.083121 Ti\n0.844358 0.978888 0.159926 Ti\n0.326965 0.745228 0.189396 Ti\n0.995638 0.556956 0.209048 Ti\n0.344358 0.021112 0.340074 Ti\n0.495638 0.443044 0.290952 Ti\n0.826965 0.254772 0.310604 Ti\n0.668679 0.524288 0.416879 Ti\n0.173685 0.258817 0.453015 Ti\n0.380139 0.759989 0.864284 P\n0.880139 0.240011 0.635716 P\n0.119861 0.759989 0.364284 P\n0.619861 0.240011 0.135716 P\n0.756013 0.992590 0.513138 O\n0.409282 0.739720 0.529348 O\n0.093503 0.692510 0.556147 O\n0.594260 0.499452 0.596315 O\n0.910524 0.469928 0.603992 O\n0.572582 0.788325 0.681814 O\n0.240858 0.257891 0.625748 O\n0.758476 0.263512 0.621539 O\n0.916672 0.698362 0.717444 O\n0.256582 0.501904 0.746617 O\n0.109725 0.992005 0.667686 O\n0.756582 0.498096 0.753383 O\n0.416672 0.301638 0.782556 O\n0.072582 0.211675 0.818186 O\n0.410524 0.530072 0.896008 O\n0.094260 0.500548 0.903685 O\n0.609725 0.007995 0.832314 O\n0.593503 0.307490 0.943853 O\n0.258476 0.736488 0.878461 O\n0.740858 0.742109 0.874252 O\n0.909282 0.260280 0.970652 O\n0.256013 0.007410 0.986862 O\n0.743987 0.992590 0.013138 O\n0.090718 0.739720 0.029348 O\n0.259142 0.257891 0.125748 O\n0.741524 0.263512 0.121539 O\n0.406497 0.692510 0.056147 O\n0.390275 0.992005 0.167686 O\n0.905740 0.499452 0.096315 O\n0.589476 0.469928 0.103992 O\n0.927418 0.788325 0.181814 O\n0.583328 0.698362 0.217444 O\n0.243418 0.501904 0.246617 O\n0.890275 0.007995 0.332314 O\n0.743418 0.498096 0.253383 O\n0.083328 0.301638 0.282556 O\n0.241524 0.736488 0.378461 O\n0.759142 0.742109 0.374252 O\n0.427418 0.211675 0.318186 O\n0.089476 0.530072 0.396008 O\n0.405740 0.500548 0.403685 O\n0.906497 0.307490 0.443853 O\n0.590718 0.260280 0.470652 O\n0.243987 0.007410 0.486862 O\n",
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{
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"created_at": "2022-09-04T14:48:27.136761Z",
"structure_string": "Rb4 Hg4 Sb4 Se12\n1.0\n11.525869 0.000000 0.000000\n0.000000 8.067339 0.000000\n0.000000 2.538598 8.747678\nRb Hg Sb Se\n4 4 4 12\ndirect\n0.253654 0.019612 0.619604 Rb\n0.246346 0.019612 0.119604 Rb\n0.753654 0.980388 0.880396 Rb\n0.746346 0.980388 0.380396 Rb\n0.249296 0.589023 0.478039 Hg\n0.749296 0.410977 0.021961 Hg\n0.750704 0.410977 0.521961 Hg\n0.250704 0.589023 0.978039 Hg\n0.500164 0.443770 0.264732 Sb\n0.499836 0.556230 0.735268 Sb\n0.999836 0.443770 0.764732 Sb\n0.000164 0.556230 0.235268 Sb\n0.448173 0.762216 0.463630 Se\n0.948173 0.237784 0.036370 Se\n0.551827 0.237784 0.536370 Se\n0.051827 0.762216 0.963630 Se\n0.051194 0.764626 0.404204 Se\n0.551194 0.235374 0.095796 Se\n0.948806 0.235374 0.595796 Se\n0.225746 0.372850 0.781404 Se\n0.274254 0.372850 0.281404 Se\n0.774254 0.627150 0.218596 Se\n0.725746 0.627150 0.718596 Se\n0.448806 0.764626 0.904204 Se\n",
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{
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