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{
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"structure_string": "Al3 H36 C12 N3 F4\n1.0\n6.074714 -0.000195 -0.015334\n-0.032938 12.809011 12.873857\n-0.021682 0.001194 8.581381\nAl H C N F\n3 36 12 3 4\ndirect\n0.987486 0.998001 0.012944 Al\n0.988079 0.335411 0.007057 Al\n0.015828 0.666525 0.000880 Al\n0.255032 0.070410 0.253731 H\n0.254354 0.403628 0.252430 H\n0.254737 0.262957 0.465025 H\n0.253008 0.596449 0.462389 H\n0.255555 0.070024 0.534979 H\n0.252957 0.736939 0.251624 H\n0.255550 0.263230 0.745208 H\n0.254543 0.929754 0.463098 H\n0.254723 0.403980 0.535826 H\n0.253504 0.596735 0.745934 H\n0.253470 0.736509 0.536349 H\n0.254719 0.929291 0.747867 H\n0.465304 0.000451 0.253309 H\n0.463739 0.999443 0.747108 H\n0.464915 0.332949 0.254569 H\n0.463749 0.333815 0.745579 H\n0.464155 0.666703 0.253449 H\n0.464907 0.666617 0.745842 H\n0.536227 0.164008 0.254600 H\n0.536200 0.169284 0.746697 H\n0.537713 0.499253 0.250605 H\n0.537408 0.501959 0.746389 H\n0.537539 0.831505 0.251972 H\n0.537835 0.834050 0.748513 H\n0.748103 0.094196 0.463179 H\n0.746308 0.093481 0.254347 H\n0.746224 0.239871 0.534723 H\n0.748080 0.239095 0.745766 H\n0.745349 0.428045 0.251922 H\n0.747709 0.428866 0.461026 H\n0.744730 0.573001 0.746246 H\n0.745744 0.760168 0.254838 H\n0.744875 0.760394 0.465064 H\n0.745760 0.573200 0.535385 H\n0.745465 0.905298 0.536141 H\n0.747768 0.904499 0.747738 H\n0.357643 0.000107 0.356351 C\n0.357868 0.999549 0.643062 C\n0.357399 0.333288 0.356684 C\n0.357883 0.333706 0.641810 C\n0.357704 0.666645 0.642796 C\n0.356913 0.666694 0.355823 C\n0.643623 0.095220 0.357011 C\n0.643581 0.238081 0.642655 C\n0.643502 0.429789 0.354662 C\n0.643222 0.571370 0.642847 C\n0.643262 0.762038 0.356750 C\n0.643581 0.903540 0.644161 C\n0.501008 0.333985 0.498775 N\n0.501108 0.999322 0.500789 N\n0.499025 0.666700 0.499555 N\n0.160700 0.225685 0.160101 F\n0.160710 0.107562 0.837380 F\n0.831817 0.666772 0.841991 F\n0.830106 0.666619 0.156449 F\n",
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"formula_full": "Al3 H36 C12 N3 F4",
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"spacegroup": 8
},
{
"id": "mp-752479",
"created_at": "2022-09-04T14:48:18.963395Z",
"structure_string": "Li5 Mn3 Cr2 O10\n1.0\n5.201245 0.000000 0.000000\n-0.873639 5.137526 0.000000\n-2.421694 -2.273134 7.035426\nLi Mn Cr O\n5 3 2 10\ndirect\n0.076458 0.803943 0.582816 Li\n0.725252 0.610445 0.224269 Li\n0.501639 0.498419 0.500008 Li\n0.930029 0.213239 0.421705 Li\n0.280801 0.391771 0.778324 Li\n0.501639 0.997806 0.000343 Mn\n0.106280 0.302478 0.104897 Mn\n0.896392 0.693159 0.894895 Mn\n0.303989 0.897233 0.306670 Cr\n0.698351 0.099533 0.693566 Cr\n0.913103 0.923533 0.144052 O\n0.684989 0.866805 0.449880 O\n0.287209 0.673777 0.040909 O\n0.533413 0.767788 0.769590 O\n0.115854 0.546720 0.336162 O\n0.886576 0.449618 0.664100 O\n0.468520 0.228076 0.230430 O\n0.716074 0.321516 0.959572 O\n0.318212 0.132761 0.550326 O\n0.089368 0.071113 0.854785 O\n",
"nsites": 20,
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"density_atomic": 0.10638447438093557,
"volume": 187.99735691117033,
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"formula_full": "Li5 Mn3 Cr2 O10",
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{
"id": "mp-753917",
"created_at": "2022-09-04T14:48:18.988270Z",
"structure_string": "Y4 Hf2 O10\n1.0\n2.763727 5.904818 0.000000\n-2.763727 5.904818 0.000000\n0.000000 3.020087 7.079592\nY Hf O\n4 2 10\ndirect\n0.365210 0.356648 0.748463 Y\n0.356648 0.365211 0.248463 Y\n0.643352 0.634790 0.751537 Y\n0.634789 0.643352 0.251537 Y\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.250967 0.600667 0.955839 O\n0.600667 0.250967 0.455839 O\n0.977011 0.675386 0.645226 O\n0.324614 0.022989 0.854774 O\n0.675386 0.977011 0.145226 O\n0.022989 0.324614 0.354774 O\n0.399333 0.749033 0.544161 O\n0.824466 0.175534 0.750000 O\n0.749033 0.399333 0.044161 O\n0.175534 0.824466 0.250000 O\n",
"nsites": 16,
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"elements": [
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"density": 6.270802589765144,
"density_atomic": 0.06924367344993428,
"volume": 231.06804135064542,
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"formula_full": "Y4 Hf2 O10",
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"updated_at": "2021-11-28T01:38:47.480000Z",
"spacegroup": 15
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{
"id": "mp-1093633",
"created_at": "2022-09-04T14:48:19.026876Z",
"structure_string": "K1 Na2 As1\n1.0\n-6.629914 6.744021 9.702408\n6.629914 -6.744021 9.702408\n6.629914 6.744021 -9.702408\nK Na As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.292662 0.292662 Na\n0.000000 0.707338 0.707338 Na\n0.000000 0.500000 0.500000 As\n",
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"density": 0.15310917716948275,
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{
"id": "mp-1043551",
"created_at": "2022-09-04T14:48:19.050463Z",
"structure_string": "Ca4 Ni4 Sb4 P8 O36\n1.0\n6.678759 0.000000 0.000000\n0.000000 7.409283 0.000000\n0.000000 0.000000 14.703226\nCa Ni Sb P O\n4 4 4 8 36\ndirect\n0.250000 0.398055 0.793106 Ca\n0.250000 0.101945 0.293106 Ca\n0.750000 0.601945 0.206894 Ca\n0.750000 0.898055 0.706894 Ca\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.250000 0.855460 0.880596 Sb\n0.750000 0.144540 0.119404 Sb\n0.750000 0.355460 0.619404 Sb\n0.250000 0.644540 0.380596 Sb\n0.750000 0.857923 0.925703 P\n0.250000 0.142077 0.074297 P\n0.250000 0.357923 0.574297 P\n0.750000 0.642077 0.425703 P\n0.250000 0.888925 0.684307 P\n0.750000 0.111075 0.315693 P\n0.750000 0.388925 0.815693 P\n0.250000 0.611075 0.184307 P\n0.556451 0.113738 0.372672 O\n0.056451 0.886262 0.627328 O\n0.443549 0.613738 0.127328 O\n0.943549 0.386262 0.872672 O\n0.443549 0.886262 0.627328 O\n0.943549 0.113738 0.372672 O\n0.556451 0.386262 0.872672 O\n0.056451 0.613738 0.127328 O\n0.750000 0.817519 0.481417 O\n0.250000 0.182481 0.518583 O\n0.250000 0.317519 0.018583 O\n0.750000 0.682481 0.981417 O\n0.250000 0.614030 0.933832 O\n0.750000 0.385970 0.066168 O\n0.750000 0.114030 0.566168 O\n0.250000 0.885970 0.433832 O\n0.250000 0.718641 0.750246 O\n0.750000 0.281359 0.249754 O\n0.750000 0.218641 0.749754 O\n0.250000 0.781359 0.250246 O\n0.930514 0.634050 0.357847 O\n0.430514 0.365950 0.642153 O\n0.069486 0.134050 0.142153 O\n0.569486 0.865950 0.857847 O\n0.069486 0.365950 0.642153 O\n0.569486 0.634050 0.357847 O\n0.930514 0.865950 0.857847 O\n0.430514 0.134050 0.142153 O\n0.250000 0.449863 0.254682 O\n0.750000 0.550137 0.745318 O\n0.750000 0.949863 0.245318 O\n0.250000 0.050137 0.754682 O\n0.250000 0.528566 0.514853 O\n0.750000 0.471434 0.485147 O\n0.750000 0.028566 0.985147 O\n0.250000 0.971434 0.014853 O\n",
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"formula_full": "Ca4 Ni4 Sb4 P8 O36",
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{
"id": "mp-540804",
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"structure_string": "Rb4 Bi12 S20\n1.0\n4.228048 0.000000 0.000000\n0.000000 12.728092 0.000000\n0.000000 0.000000 19.053643\nRb Bi S\n4 12 20\ndirect\n0.000000 0.398022 0.148894 Rb\n0.000000 0.601978 0.851106 Rb\n0.500000 0.898022 0.351106 Rb\n0.500000 0.101978 0.648894 Rb\n0.000000 0.050935 0.150686 Bi\n0.000000 0.949065 0.849314 Bi\n0.500000 0.550935 0.349314 Bi\n0.500000 0.449065 0.650686 Bi\n0.000000 0.274025 0.814396 Bi\n0.000000 0.725975 0.185604 Bi\n0.500000 0.774025 0.685604 Bi\n0.500000 0.225975 0.314396 Bi\n0.000000 0.330799 0.478068 Bi\n0.000000 0.669201 0.521932 Bi\n0.500000 0.830799 0.021932 Bi\n0.500000 0.169201 0.978068 Bi\n0.000000 0.676627 0.045809 S\n0.000000 0.323373 0.954191 S\n0.500000 0.176627 0.454191 S\n0.500000 0.823373 0.545809 S\n0.000000 0.308527 0.628470 S\n0.000000 0.691473 0.371530 S\n0.500000 0.808527 0.871530 S\n0.500000 0.191473 0.128470 S\n0.000000 0.389429 0.332586 S\n0.000000 0.610571 0.667414 S\n0.500000 0.889429 0.167414 S\n0.500000 0.110571 0.832586 S\n0.000000 0.089124 0.293123 S\n0.000000 0.910876 0.706877 S\n0.500000 0.589124 0.206877 S\n0.500000 0.410876 0.793123 S\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.000000 S\n",
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{
"id": "mp-1245563",
"created_at": "2022-09-04T14:48:18.999417Z",
"structure_string": "Sr12 Os8 N16\n1.0\n6.311880 0.000000 0.000000\n0.000000 10.423461 0.000000\n0.000000 0.000000 9.179390\nSr Os N\n12 8 16\ndirect\n0.629762 0.155066 0.422966 Sr\n0.870238 0.844934 0.422966 Sr\n0.629762 0.344934 0.077034 Sr\n0.870238 0.655066 0.077034 Sr\n0.370238 0.844934 0.577034 Sr\n0.129762 0.155066 0.577034 Sr\n0.370238 0.655066 0.922966 Sr\n0.129762 0.344934 0.922966 Sr\n0.750000 0.500000 0.407065 Sr\n0.750000 0.000000 0.092935 Sr\n0.250000 0.500000 0.592935 Sr\n0.250000 0.000000 0.907065 Sr\n0.750000 0.500000 0.746674 Os\n0.750000 0.000000 0.753326 Os\n0.250000 0.500000 0.253326 Os\n0.250000 0.000000 0.246674 Os\n0.696113 0.250000 0.750000 Os\n0.803887 0.750000 0.750000 Os\n0.303887 0.750000 0.250000 Os\n0.196113 0.250000 0.250000 Os\n0.921491 0.358186 0.656104 N\n0.578509 0.641814 0.656104 N\n0.921491 0.141814 0.843896 N\n0.578509 0.858186 0.843896 N\n0.078509 0.641814 0.343896 N\n0.421491 0.358186 0.343896 N\n0.078509 0.858186 0.156104 N\n0.421491 0.141814 0.156104 N\n0.484469 0.398435 0.808254 N\n0.015531 0.601565 0.808254 N\n0.484469 0.101565 0.691746 N\n0.015531 0.898435 0.691746 N\n0.515531 0.601565 0.191746 N\n0.984469 0.398435 0.191746 N\n0.515531 0.898435 0.308254 N\n0.984469 0.101565 0.308254 N\n",
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{
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"structure_string": "In5 Sn1 Sb3 Te1\n1.0\n6.680749 0.000000 0.000000\n3.339365 7.448145 0.000000\n3.336273 0.022343 7.463465\nIn Sn Sb Te\n5 1 3 1\ndirect\n0.997394 0.003670 0.998136 In\n0.404334 0.809283 0.396216 In\n0.786851 0.598856 0.810251 In\n0.205675 0.394449 0.187343 In\n0.609246 0.193115 0.608040 In\n0.652504 0.298450 0.900611 Sn\n0.045112 0.099559 0.299540 Sb\n0.448362 0.899493 0.700593 Sb\n0.852412 0.701303 0.100118 Sb\n0.248110 0.501821 0.499152 Te\n",
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{
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"structure_string": "Nd2 Fe1 Sb4\n1.0\n4.430589 0.000000 0.000000\n0.000000 4.430589 0.000000\n0.000000 0.000000 9.597200\nNd Fe Sb\n2 1 4\ndirect\n0.000000 0.500000 0.238437 Nd\n0.500000 0.000000 0.761563 Nd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.876032 Sb\n0.500000 0.000000 0.123968 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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