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{
"id": "mp-562661",
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"structure_string": "Na4 Co4 C16 O16\n1.0\n5.640728 0.000000 0.000000\n0.000000 9.318660 0.000000\n0.000000 0.000000 13.934702\nNa Co C O\n4 4 16 16\ndirect\n0.413229 0.250000 0.084208 Na\n0.586771 0.250000 0.584208 Na\n0.413229 0.750000 0.415792 Na\n0.586771 0.750000 0.915792 Na\n0.812317 0.250000 0.377360 Co\n0.187683 0.250000 0.877360 Co\n0.812317 0.750000 0.122640 Co\n0.187683 0.750000 0.622640 Co\n0.636939 0.904274 0.123157 C\n0.987588 0.750000 0.225339 C\n0.363061 0.904274 0.623157 C\n0.969993 0.750000 0.534487 C\n0.636939 0.095726 0.376843 C\n0.012412 0.750000 0.725339 C\n0.363061 0.404274 0.876843 C\n0.363061 0.095726 0.876843 C\n0.363061 0.595726 0.623157 C\n0.636939 0.595726 0.123157 C\n0.636939 0.404274 0.376843 C\n0.969993 0.250000 0.965513 C\n0.987588 0.250000 0.274661 C\n0.012412 0.250000 0.774661 C\n0.030007 0.250000 0.465513 C\n0.030007 0.750000 0.034487 C\n0.116443 0.250000 0.208532 O\n0.191804 0.750000 0.981222 O\n0.521378 0.990779 0.374466 O\n0.478622 0.990779 0.874466 O\n0.883557 0.250000 0.708532 O\n0.521378 0.009221 0.125534 O\n0.808196 0.750000 0.481222 O\n0.521378 0.509221 0.374466 O\n0.808196 0.250000 0.018778 O\n0.521378 0.490779 0.125534 O\n0.478622 0.009221 0.625534 O\n0.191804 0.250000 0.518778 O\n0.478622 0.509221 0.874466 O\n0.116443 0.750000 0.291468 O\n0.478622 0.490779 0.625534 O\n0.883557 0.750000 0.791468 O\n",
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{
"id": "mp-1245961",
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"structure_string": "Cd12 Ga8 N16\n1.0\n5.755728 0.000000 0.000000\n0.000000 10.876359 0.000000\n0.000000 0.000000 8.846192\nCd Ga N\n12 8 16\ndirect\n0.720380 0.153947 0.379871 Cd\n0.779620 0.846053 0.379871 Cd\n0.720380 0.346053 0.120129 Cd\n0.779620 0.653947 0.120129 Cd\n0.279620 0.846053 0.620129 Cd\n0.220380 0.153947 0.620129 Cd\n0.279620 0.653947 0.879871 Cd\n0.220380 0.346053 0.879871 Cd\n0.750000 0.500000 0.449587 Cd\n0.750000 0.000000 0.050413 Cd\n0.250000 0.500000 0.550413 Cd\n0.250000 0.000000 0.949587 Cd\n0.750000 0.500000 0.792882 Ga\n0.750000 0.000000 0.707118 Ga\n0.250000 0.500000 0.207118 Ga\n0.250000 0.000000 0.292882 Ga\n0.768740 0.250000 0.750000 Ga\n0.731260 0.750000 0.750000 Ga\n0.231260 0.750000 0.250000 Ga\n0.268740 0.250000 0.250000 Ga\n0.969380 0.392568 0.673287 N\n0.530620 0.607432 0.673287 N\n0.969380 0.107432 0.826713 N\n0.530620 0.892568 0.826713 N\n0.030620 0.607432 0.326713 N\n0.469380 0.392568 0.326713 N\n0.030620 0.892568 0.173287 N\n0.469380 0.107432 0.173287 N\n0.599902 0.358184 0.883816 N\n0.900098 0.641816 0.883816 N\n0.599902 0.141816 0.616184 N\n0.900098 0.858184 0.616184 N\n0.400098 0.641816 0.116184 N\n0.099902 0.358184 0.116184 N\n0.400098 0.858184 0.383816 N\n0.099902 0.141816 0.383816 N\n",
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"formula_full": "Cd12 Ga8 N16",
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"spacegroup": 52
},
{
"id": "mp-18540",
"created_at": "2022-09-04T14:42:09.740810Z",
"structure_string": "Cs2 Er4 Cu6 S10\n1.0\n1.972812 -7.026214 0.000000\n1.972812 7.026214 0.000000\n0.000000 0.000000 16.702468\nCs Er Cu S\n2 4 6 10\ndirect\n0.936230 0.063770 0.250000 Cs\n0.063770 0.936230 0.750000 Cs\n0.192056 0.807944 0.408232 Er\n0.192056 0.807944 0.091768 Er\n0.807944 0.192056 0.591768 Er\n0.807944 0.192056 0.908232 Er\n0.584283 0.415717 0.536110 Cu\n0.584283 0.415717 0.963890 Cu\n0.415717 0.584283 0.036110 Cu\n0.343931 0.656069 0.750000 Cu\n0.656069 0.343931 0.250000 Cu\n0.415717 0.584283 0.463890 Cu\n0.829804 0.170196 0.068235 S\n0.437227 0.562773 0.891532 S\n0.437227 0.562773 0.608468 S\n0.562773 0.437227 0.391532 S\n0.231640 0.768360 0.250000 S\n0.768360 0.231640 0.750000 S\n0.562773 0.437227 0.108468 S\n0.170196 0.829804 0.931765 S\n0.170196 0.829804 0.568235 S\n0.829804 0.170196 0.431765 S\n",
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"formula_full": "Cs2 Er4 Cu6 S10",
"formula_reduced": "CsEr2Cu3S5",
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"updated_at": "2021-11-28T01:35:39.127000Z",
"spacegroup": 63
},
{
"id": "mp-1022862",
"created_at": "2022-09-04T14:42:09.768553Z",
"structure_string": "K2 Y2 Mg12\n1.0\n5.335750 0.000000 0.000000\n0.000000 7.198631 0.000000\n0.000000 0.000000 11.687649\nK Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.832007 K\n0.500000 0.000000 0.332007 K\n0.500000 0.500000 0.342743 Y\n0.500000 0.000000 0.842743 Y\n0.500000 0.258825 0.082026 Mg\n0.500000 0.741175 0.082026 Mg\n0.000000 0.234941 0.925231 Mg\n0.000000 0.765059 0.925231 Mg\n0.000000 0.500000 0.164209 Mg\n0.000000 0.500000 0.646532 Mg\n0.500000 0.758825 0.582026 Mg\n0.500000 0.241175 0.582026 Mg\n0.000000 0.734941 0.425231 Mg\n0.000000 0.265059 0.425231 Mg\n0.000000 0.000000 0.664209 Mg\n0.000000 0.000000 0.146532 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.025788752422434,
"density_atomic": 0.03564079942937316,
"volume": 448.92371260375523,
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"formula_full": "K2 Y2 Mg12",
"formula_reduced": "KYMg6",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:38.181000Z",
"spacegroup": 38
},
{
"id": "mp-1094743",
"created_at": "2022-09-04T14:42:09.779775Z",
"structure_string": "Mg1 Zr1\n1.0\n3.526620 0.000000 0.000000\n0.000000 3.526620 0.000000\n0.000000 0.000000 3.526620\nMg Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n",
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"spacegroup": 221
},
{
"id": "mp-559005",
"created_at": "2022-09-04T14:42:09.749025Z",
"structure_string": "Na4 As4 H16 O20\n1.0\n5.310017 0.000000 0.000000\n0.000000 8.592673 0.000000\n0.000000 0.000000 10.530276\nNa As H O\n4 4 16 20\ndirect\n0.423916 0.592531 0.906779 Na\n0.576084 0.092531 0.593221 Na\n0.923916 0.907469 0.093221 Na\n0.076084 0.407469 0.406779 Na\n0.082184 0.194369 0.842244 As\n0.917816 0.694369 0.657756 As\n0.417816 0.805631 0.342244 As\n0.582184 0.305631 0.157756 As\n0.961829 0.489001 0.796940 H\n0.461829 0.010999 0.203060 H\n0.445913 0.945099 0.950727 H\n0.187068 0.232700 0.105311 H\n0.642005 0.881714 0.852511 H\n0.357995 0.381714 0.647489 H\n0.038171 0.989001 0.703060 H\n0.857995 0.118286 0.352511 H\n0.554087 0.445099 0.549273 H\n0.142005 0.618286 0.147489 H\n0.812932 0.732700 0.394689 H\n0.312932 0.767300 0.605311 H\n0.687068 0.267300 0.894689 H\n0.054087 0.054901 0.450727 H\n0.538171 0.510999 0.296940 H\n0.945913 0.554901 0.049273 H\n0.671117 0.424052 0.286997 O\n0.172505 0.110237 0.980513 O\n0.749783 0.195913 0.826502 O\n0.171117 0.075948 0.713003 O\n0.571966 0.862990 0.938071 O\n0.428034 0.362990 0.561929 O\n0.249783 0.304087 0.173498 O\n0.807621 0.875930 0.690516 O\n0.192379 0.375930 0.809484 O\n0.750217 0.804087 0.326502 O\n0.692379 0.124070 0.190516 O\n0.928034 0.137010 0.438071 O\n0.828883 0.575948 0.786997 O\n0.827495 0.610237 0.519487 O\n0.250217 0.695913 0.673498 O\n0.672505 0.389763 0.019487 O\n0.071966 0.637010 0.061929 O\n0.328883 0.924052 0.213003 O\n0.307621 0.624070 0.309484 O\n0.327495 0.889763 0.480513 O\n",
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{
"id": "mp-1075385",
"created_at": "2022-09-04T14:42:09.785914Z",
"structure_string": "Mg10 Si12\n1.0\n5.175296 0.000000 0.000000\n-1.011215 5.722229 0.000000\n-0.514639 -2.713328 13.471616\nMg Si\n10 12\ndirect\n0.294854 0.922679 0.165311 Mg\n0.404383 0.578033 0.506510 Mg\n0.758166 0.965200 0.634597 Mg\n0.077454 0.207779 0.354227 Mg\n0.811920 0.014942 0.057354 Mg\n0.872908 0.891749 0.833509 Mg\n0.883490 0.426290 0.579600 Mg\n0.929514 0.726705 0.411814 Mg\n0.466943 0.423774 0.092004 Mg\n0.973124 0.502563 0.970786 Mg\n0.486195 0.621614 0.918090 Si\n0.302625 0.981473 0.969561 Si\n0.539059 0.037693 0.426578 Si\n0.281536 0.127743 0.566683 Si\n0.409973 0.157363 0.824240 Si\n0.988227 0.463882 0.185366 Si\n0.609385 0.293258 0.293054 Si\n0.234126 0.831683 0.682030 Si\n0.477642 0.502649 0.719633 Si\n0.394958 0.637785 0.308552 Si\n0.787379 0.819631 0.222594 Si\n0.019541 0.361782 0.774397 Si\n",
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"formula_full": "Mg10 Si12",
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{
"id": "mp-628680",
"created_at": "2022-09-04T14:42:10.047665Z",
"structure_string": "K20 Th4 P12 S48\n1.0\n11.586559 0.000000 0.000000\n0.000000 9.849234 0.000000\n0.000000 9.805032 20.308337\nK Th P S\n20 4 12 48\ndirect\n0.407890 0.557394 0.083627 K\n0.359375 0.698751 0.420739 K\n0.859375 0.301249 0.079261 K\n0.903825 0.721427 0.097235 K\n0.092110 0.557394 0.583627 K\n0.403825 0.278573 0.402765 K\n0.892144 0.079089 0.750282 K\n0.907890 0.442606 0.416373 K\n0.596175 0.721427 0.597235 K\n0.392144 0.920911 0.749718 K\n0.592110 0.442606 0.916373 K\n0.344139 0.372546 0.741945 K\n0.140625 0.698751 0.920739 K\n0.607856 0.079089 0.250282 K\n0.107856 0.920911 0.249718 K\n0.844139 0.627454 0.758055 K\n0.155861 0.372546 0.241945 K\n0.640625 0.301249 0.579261 K\n0.655861 0.627454 0.258055 K\n0.096175 0.278573 0.902765 K\n0.351699 0.025788 0.081359 Th\n0.148301 0.025788 0.581359 Th\n0.851699 0.974212 0.418641 Th\n0.648301 0.974212 0.918641 Th\n0.328909 0.988763 0.918938 P\n0.668996 0.334677 0.762493 P\n0.831004 0.334677 0.262493 P\n0.189404 0.300044 0.079132 P\n0.671091 0.011237 0.081062 P\n0.331004 0.665323 0.237507 P\n0.689404 0.699956 0.420868 P\n0.810596 0.699956 0.920868 P\n0.171091 0.988763 0.418938 P\n0.168996 0.665323 0.737507 P\n0.310596 0.300044 0.579132 P\n0.828909 0.011237 0.581062 P\n0.568654 0.145191 0.781709 S\n0.935684 0.180504 0.580405 S\n0.229527 0.904117 0.002636 S\n0.063096 0.142952 0.431591 S\n0.297365 0.196678 0.159150 S\n0.102093 0.474943 0.080754 S\n0.068654 0.854809 0.718291 S\n0.397907 0.474943 0.580754 S\n0.228006 0.066264 0.839401 S\n0.223105 0.750179 0.155694 S\n0.564316 0.180504 0.080405 S\n0.762562 0.404160 0.678919 S\n0.076145 0.489341 0.738282 S\n0.431346 0.854809 0.218291 S\n0.423855 0.489341 0.238282 S\n0.270473 0.904117 0.502636 S\n0.897907 0.525057 0.919246 S\n0.770473 0.095883 0.997364 S\n0.931346 0.145191 0.281709 S\n0.064316 0.819496 0.419595 S\n0.563096 0.857048 0.068409 S\n0.271994 0.066264 0.339401 S\n0.702635 0.803322 0.840850 S\n0.262562 0.595840 0.821081 S\n0.728006 0.933736 0.660599 S\n0.797365 0.803322 0.340850 S\n0.595112 0.876100 0.421663 S\n0.095112 0.123900 0.078337 S\n0.776895 0.249821 0.844306 S\n0.702776 0.642149 0.000908 S\n0.237438 0.595840 0.321081 S\n0.737438 0.404160 0.178919 S\n0.404888 0.123900 0.578337 S\n0.904888 0.876100 0.921663 S\n0.936904 0.857048 0.568409 S\n0.202635 0.196678 0.659150 S\n0.723105 0.249821 0.344306 S\n0.729527 0.095883 0.497364 S\n0.202776 0.357851 0.499092 S\n0.436904 0.142952 0.931591 S\n0.576145 0.510659 0.761718 S\n0.297224 0.357851 0.999092 S\n0.771994 0.933736 0.160599 S\n0.797224 0.642149 0.500908 S\n0.276895 0.750179 0.655694 S\n0.602093 0.525057 0.419246 S\n0.923855 0.510659 0.261718 S\n0.435684 0.819496 0.919595 S\n",
"nsites": 84,
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"elements": [
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"volume": 2317.561644028923,
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"formula_full": "K20 Th4 P12 S48",
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