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{
"id": "mp-1228670",
"created_at": "2022-09-04T14:42:37.928068Z",
"structure_string": "K76 Nb14 As48\n1.0\n10.582665 0.000000 0.000000\n5.291332 12.141548 0.000000\n0.000000 0.000000 36.526993\nK Nb As\n76 14 48\ndirect\n0.837904 0.324191 0.097245 K\n0.161941 0.676118 0.902853 K\n0.838059 0.323882 0.402853 K\n0.162096 0.675809 0.597245 K\n0.311021 0.796780 0.086199 K\n0.105908 0.203948 0.913189 K\n0.309856 0.796052 0.413189 K\n0.107801 0.203220 0.586199 K\n0.690144 0.203948 0.913189 K\n0.892199 0.796780 0.086199 K\n0.688979 0.203220 0.586199 K\n0.894092 0.796052 0.413189 K\n0.799873 0.837659 0.307669 K\n0.637114 0.162473 0.692638 K\n0.799587 0.837527 0.192638 K\n0.637532 0.162341 0.807669 K\n0.200413 0.162473 0.692638 K\n0.362468 0.837659 0.307669 K\n0.200127 0.162341 0.807669 K\n0.362886 0.837527 0.192638 K\n0.402824 0.704217 0.981960 K\n0.088505 0.300613 0.012911 K\n0.389118 0.699387 0.512911 K\n0.107041 0.295783 0.481960 K\n0.610882 0.300613 0.012911 K\n0.892959 0.704217 0.981960 K\n0.597176 0.295783 0.481960 K\n0.911495 0.699387 0.512911 K\n0.541943 0.364189 0.250063 K\n0.906132 0.635811 0.750063 K\n0.458057 0.635811 0.750063 K\n0.093868 0.364189 0.250063 K\n0.755616 0.488768 0.992699 K\n0.239492 0.521015 0.005853 K\n0.760508 0.478985 0.505853 K\n0.244384 0.511232 0.492699 K\n0.067235 0.865530 0.250166 K\n0.932765 0.134470 0.750166 K\n0.629295 0.210474 0.164759 K\n0.833914 0.787389 0.838047 K\n0.621302 0.212612 0.338047 K\n0.839769 0.789526 0.664759 K\n0.378698 0.787389 0.838047 K\n0.160231 0.210474 0.164759 K\n0.370705 0.789526 0.664759 K\n0.166086 0.212612 0.338047 K\n0.307907 0.998662 0.999803 K\n0.306569 0.001338 0.499803 K\n0.693431 0.998662 0.999803 K\n0.692093 0.001338 0.499803 K\n0.984728 0.030544 0.156212 K\n0.015302 0.969395 0.843769 K\n0.984698 0.030605 0.343769 K\n0.015272 0.969456 0.656212 K\n0.516218 0.967565 0.090895 K\n0.492687 0.014627 0.910892 K\n0.507313 0.985373 0.410892 K\n0.483782 0.032435 0.590895 K\n0.228855 0.542290 0.102538 K\n0.757918 0.484163 0.897567 K\n0.242082 0.515837 0.397567 K\n0.771145 0.457710 0.602538 K\n0.531924 0.536222 0.157853 K\n0.068341 0.462240 0.842572 K\n0.530581 0.537760 0.342572 K\n0.068146 0.463778 0.657853 K\n0.469419 0.462240 0.842572 K\n0.931854 0.536222 0.157853 K\n0.468076 0.463778 0.657853 K\n0.931659 0.537760 0.342572 K\n0.425879 0.148242 0.250150 K\n0.574121 0.851758 0.750150 K\n0.726720 0.546560 0.249934 K\n0.273280 0.453440 0.749934 K\n0.372362 0.255276 0.077482 K\n0.627638 0.744724 0.577482 K\n0.903166 0.193668 0.250209 Nb\n0.096834 0.806332 0.750209 Nb\n0.679820 0.640361 0.074176 Nb\n0.322874 0.354253 0.927271 Nb\n0.677126 0.645747 0.427271 Nb\n0.320180 0.359639 0.574176 Nb\n0.205293 0.589415 0.206135 Nb\n0.795647 0.408706 0.793037 Nb\n0.204353 0.591294 0.293037 Nb\n0.794707 0.410585 0.706135 Nb\n0.976251 0.047499 0.046606 Nb\n0.022988 0.954024 0.953842 Nb\n0.977012 0.045976 0.453842 Nb\n0.023749 0.952501 0.546606 Nb\n0.760795 0.075503 0.249945 As\n0.836298 0.924497 0.749945 As\n0.239205 0.924497 0.749945 As\n0.163702 0.075503 0.249945 As\n0.533847 0.528149 0.064990 As\n0.066717 0.469071 0.934999 As\n0.535788 0.530929 0.434999 As\n0.061996 0.471851 0.564990 As\n0.464212 0.469071 0.934999 As\n0.938004 0.528149 0.064990 As\n0.466153 0.471851 0.564990 As\n0.933283 0.530929 0.434999 As\n0.130018 0.739965 0.160680 As\n0.868008 0.263985 0.840583 As\n0.131992 0.736015 0.340583 As\n0.869982 0.260035 0.660680 As\n0.757391 0.090746 0.082291 As\n0.850108 0.915945 0.917152 As\n0.766053 0.084055 0.417152 As\n0.848138 0.909254 0.582291 As\n0.233947 0.915945 0.917152 As\n0.151862 0.090746 0.082291 As\n0.242609 0.909254 0.582291 As\n0.149892 0.084055 0.417152 As\n0.302020 0.395960 0.180049 As\n0.698898 0.602203 0.816416 As\n0.301102 0.397797 0.316416 As\n0.697980 0.604040 0.680049 As\n0.630147 0.739707 0.135857 As\n0.372461 0.255079 0.865622 As\n0.627539 0.744921 0.365622 As\n0.369853 0.260293 0.635857 As\n0.072066 0.855869 0.016443 As\n0.927407 0.145186 0.984779 As\n0.072593 0.854814 0.484779 As\n0.927934 0.144131 0.516443 As\n0.606975 0.786050 0.026434 As\n0.393261 0.213477 0.977987 As\n0.606739 0.786523 0.477987 As\n0.393025 0.213950 0.526434 As\n0.840750 0.318501 0.194987 As\n0.158988 0.682024 0.805505 As\n0.841012 0.317976 0.305505 As\n0.159250 0.681499 0.694987 As\n0.371166 0.631624 0.249475 As\n0.002790 0.368376 0.749475 As\n0.628834 0.368376 0.749475 As\n0.997210 0.631624 0.249475 As\n",
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"elements": [
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"volume": 4693.350958705051,
"volume_molar": 20.481173992320844,
"formula_full": "K76 Nb14 As48",
"formula_reduced": "K38Nb7As24",
"formula_anonymous": "A7B24C38",
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"updated_at": "2021-11-28T01:36:02.410000Z",
"spacegroup": 36
},
{
"id": "mp-1201326",
"created_at": "2022-09-04T14:44:02.026290Z",
"structure_string": "Si8 Te4 H88 Pt2 C32 Cl4\n1.0\n3.442701 12.629466 0.000000\n-3.442701 12.629466 0.000000\n0.000000 1.938567 20.873463\nSi Te H Pt C Cl\n8 4 88 2 32 4\ndirect\n0.392227 0.933073 0.358429 Si\n0.066927 0.607773 0.141571 Si\n0.607773 0.066927 0.641571 Si\n0.933073 0.392227 0.858429 Si\n0.395125 0.755873 0.612892 Si\n0.244127 0.604875 0.887108 Si\n0.604875 0.244127 0.387108 Si\n0.755873 0.395125 0.112892 Si\n0.698842 0.626746 0.494063 Te\n0.373254 0.301158 0.005937 Te\n0.301158 0.373254 0.505937 Te\n0.626746 0.698842 0.994063 Te\n0.321034 0.016473 0.474439 H\n0.983527 0.678966 0.025561 H\n0.678966 0.983527 0.525561 H\n0.016473 0.321034 0.974439 H\n0.491604 0.964422 0.439871 H\n0.035578 0.508396 0.060129 H\n0.508396 0.035578 0.560129 H\n0.964422 0.491604 0.939871 H\n0.680224 0.632517 0.620804 H\n0.367483 0.319776 0.879196 H\n0.319776 0.367483 0.379196 H\n0.632517 0.680224 0.120804 H\n0.460163 0.887976 0.592169 H\n0.112024 0.539837 0.907831 H\n0.539837 0.112024 0.407831 H\n0.887976 0.460163 0.092169 H\n0.580397 0.702592 0.268222 H\n0.297408 0.419603 0.231778 H\n0.419603 0.297408 0.731778 H\n0.702592 0.580397 0.768222 H\n0.667281 0.570466 0.342742 H\n0.429534 0.332719 0.157258 H\n0.332719 0.429534 0.657258 H\n0.570466 0.667281 0.842742 H\n0.742607 0.633106 0.314867 H\n0.366894 0.257393 0.185133 H\n0.257393 0.366894 0.685133 H\n0.633106 0.742607 0.814867 H\n0.433613 0.072849 0.304575 H\n0.927151 0.566387 0.195425 H\n0.566387 0.927151 0.695425 H\n0.072849 0.433613 0.804575 H\n0.181902 0.271358 0.334412 H\n0.728642 0.818098 0.165588 H\n0.818098 0.728642 0.665588 H\n0.271358 0.181902 0.834412 H\n0.262769 0.146269 0.263356 H\n0.853731 0.737231 0.236644 H\n0.737231 0.853731 0.736644 H\n0.146269 0.262769 0.763356 H\n0.134520 0.045686 0.314302 H\n0.954314 0.865480 0.185698 H\n0.865480 0.954314 0.685698 H\n0.045686 0.134520 0.814302 H\n0.051168 0.156270 0.389702 H\n0.843730 0.948832 0.110298 H\n0.948832 0.843730 0.610298 H\n0.156270 0.051168 0.889702 H\n0.230726 0.900756 0.385929 H\n0.099244 0.769274 0.114071 H\n0.769274 0.099244 0.614071 H\n0.900756 0.230726 0.885929 H\n0.656889 0.431122 0.674619 H\n0.568878 0.343111 0.825381 H\n0.343111 0.568878 0.325381 H\n0.431122 0.656889 0.174619 H\n0.668198 0.395450 0.592666 H\n0.604550 0.331802 0.907334 H\n0.331802 0.604550 0.407334 H\n0.395450 0.668198 0.092666 H\n0.476549 0.503388 0.644864 H\n0.496612 0.523451 0.855136 H\n0.523451 0.496612 0.355136 H\n0.503388 0.476549 0.144864 H\n0.129117 0.886935 0.563566 H\n0.113065 0.870883 0.936434 H\n0.870883 0.113065 0.436434 H\n0.886935 0.129117 0.063566 H\n0.302771 0.790792 0.504023 H\n0.209208 0.697229 0.995977 H\n0.697229 0.209208 0.495977 H\n0.790791 0.302771 0.004023 H\n0.116546 0.030592 0.537368 H\n0.969408 0.883454 0.962632 H\n0.883454 0.969408 0.462632 H\n0.030592 0.116546 0.037368 H\n0.145042 0.929312 0.700381 H\n0.070688 0.854958 0.799619 H\n0.854958 0.070688 0.299619 H\n0.929312 0.145042 0.200381 H\n0.140888 0.066731 0.675757 H\n0.933269 0.859112 0.824243 H\n0.859112 0.933269 0.324243 H\n0.066731 0.140888 0.175757 H\n0.333779 0.849049 0.726628 H\n0.150951 0.666221 0.773372 H\n0.666221 0.150951 0.273372 H\n0.849049 0.333779 0.226628 H\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.453672 0.915387 0.442232 C\n0.084613 0.546328 0.057768 C\n0.546328 0.084613 0.557768 C\n0.915387 0.453672 0.942232 C\n0.551856 0.740002 0.588599 C\n0.259998 0.448144 0.911401 C\n0.448144 0.259998 0.411401 C\n0.740002 0.551856 0.088599 C\n0.617386 0.685875 0.317410 C\n0.314125 0.382614 0.182590 C\n0.382614 0.314125 0.682590 C\n0.685875 0.617386 0.817410 C\n0.308919 0.125146 0.311232 C\n0.874854 0.691081 0.188768 C\n0.691081 0.874854 0.688768 C\n0.125146 0.308919 0.811232 C\n0.182721 0.016423 0.362965 C\n0.983577 0.817279 0.137035 C\n0.817279 0.983577 0.637035 C\n0.016423 0.182721 0.862965 C\n0.565709 0.496958 0.632971 C\n0.503042 0.434291 0.867029 C\n0.434291 0.503042 0.367029 C\n0.496958 0.565709 0.132971 C\n0.220354 0.876613 0.548279 C\n0.123387 0.779646 0.951721 C\n0.779646 0.123387 0.451721 C\n0.876613 0.220354 0.048279 C\n0.240247 0.915031 0.686069 C\n0.084969 0.759753 0.813931 C\n0.759753 0.084969 0.313931 C\n0.915031 0.240247 0.186069 C\n0.902123 0.677653 0.405729 Cl\n0.322347 0.097877 0.094271 Cl\n0.097877 0.322347 0.594271 Cl\n0.677653 0.902123 0.905729 Cl\n",
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"elements": [
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"H",
"Pt",
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"Cl"
],
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"density": 1.5919000137267088,
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"volume": 1815.1344348482057,
"volume_molar": 7.921010916651409,
"formula_full": "Si8 Te4 H88 Pt2 C32 Cl4",
"formula_reduced": "Si4Te2H44Pt(C8Cl)2",
"formula_anonymous": "AB2C2D4E16F44",
"energy": -699.74643015,
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},
{
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{
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}
]
}