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{
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{
"id": "mp-1113113",
"created_at": "2022-09-04T14:42:21.139180Z",
"structure_string": "Cs2 Al1 Au1 F6\n1.0\n0.000000 4.459193 4.459193\n4.459193 0.000000 4.459193\n4.459193 4.459193 0.000000\nCs Al Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.792148 0.207852 0.207852 F\n0.207852 0.207852 0.792148 F\n0.207852 0.792148 0.792148 F\n0.207852 0.792148 0.207852 F\n0.792148 0.207852 0.792148 F\n0.792148 0.792148 0.207852 F\n",
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{
"id": "mp-1175545",
"created_at": "2022-09-04T14:42:21.142819Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n6.432521 0.000000 0.000000\n-2.034170 -6.120422 0.000000\n-3.189580 0.725289 -7.156586\nLi Mn Co O\n9 2 5 16\ndirect\n0.878192 0.054420 0.317480 Li\n0.870577 0.560047 0.812324 Li\n0.125177 0.939337 0.678591 Li\n0.133310 0.444666 0.192874 Li\n0.382571 0.816421 0.075222 Li\n0.376543 0.310957 0.561945 Li\n0.614546 0.689544 0.432236 Li\n0.619919 0.185450 0.932675 Li\n0.251803 0.873714 0.375563 Li\n0.003407 0.001522 0.003757 Mn\n0.001632 0.504319 0.498630 Mn\n0.248729 0.373620 0.873805 Co\n0.495986 0.748643 0.742091 Co\n0.499733 0.246885 0.252966 Co\n0.758891 0.633264 0.134667 Co\n0.744653 0.121169 0.618257 Co\n0.706604 0.901078 0.035921 O\n0.703490 0.398659 0.537757 O\n0.938917 0.764624 0.414190 O\n0.958753 0.275810 0.910760 O\n0.186365 0.637517 0.760192 O\n0.184490 0.145795 0.252574 O\n0.455772 0.519478 0.155235 O\n0.464285 0.023853 0.665753 O\n0.042399 0.225217 0.590277 O\n0.037421 0.723839 0.082437 O\n0.294259 0.096820 0.961529 O\n0.296165 0.585372 0.471854 O\n0.559287 0.989298 0.338969 O\n0.539987 0.478825 0.842534 O\n0.810335 0.862290 0.736771 O\n0.815804 0.367551 0.240165 O\n",
"nsites": 32,
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"elements": [
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],
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"volume": 281.7529518913002,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.18541694,
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"updated_at": "2021-11-28T01:35:38.708000Z",
"spacegroup": 1
},
{
"id": "mp-1219141",
"created_at": "2022-09-04T14:42:21.180161Z",
"structure_string": "Sm4 Al4 Ni4\n1.0\n-2.680811 -4.707689 0.000000\n-2.735006 4.738991 0.000000\n0.000000 0.000000 -8.519810\nSm Al Ni\n4 4 4\ndirect\n0.665834 0.332893 0.542519 Sm\n0.340703 0.670356 0.426470 Sm\n0.340703 0.670356 0.073530 Sm\n0.665834 0.332893 0.957481 Sm\n0.994360 0.997185 0.490179 Al\n0.994360 0.997185 0.009821 Al\n0.171088 0.338236 0.750000 Al\n0.171015 0.832905 0.750000 Al\n0.664847 0.832340 0.750000 Ni\n0.833754 0.668787 0.250000 Ni\n0.833830 0.165038 0.250000 Ni\n0.323670 0.161825 0.250000 Ni\n",
"nsites": 12,
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"elements": [
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"Ni"
],
"chemical_system": "Al-Ni-Sm",
"density": 7.193772234928576,
"density_atomic": 0.055062071656908684,
"volume": 217.93586109095025,
"volume_molar": 10.937003601179248,
"formula_full": "Sm4 Al4 Ni4",
"formula_reduced": "SmAlNi",
"formula_anonymous": "ABC",
"energy": -62.46343467,
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"updated_at": "2021-11-28T01:35:42.516000Z",
"spacegroup": 38
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{
"id": "mp-626553",
"created_at": "2022-09-04T14:42:21.133759Z",
"structure_string": "Ca2 H32 O20\n1.0\n6.247350 0.000000 0.000000\n0.422729 6.487845 0.000000\n0.148171 0.330655 10.864573\nCa H O\n2 32 20\ndirect\n0.981924 0.979318 0.761081 Ca\n0.029870 0.999635 0.232782 Ca\n0.286237 0.230394 0.653378 H\n0.424582 0.023070 0.627635 H\n0.614734 0.751581 0.661219 H\n0.681652 0.868353 0.535502 H\n0.025267 0.535492 0.636868 H\n0.146665 0.690847 0.549537 H\n0.729277 0.365793 0.656455 H\n0.862440 0.291521 0.537609 H\n0.383449 0.719993 0.138647 H\n0.310653 0.874807 0.022893 H\n0.644352 0.280640 0.157582 H\n0.705614 0.123519 0.049935 H\n0.294239 0.383464 0.143693 H\n0.049011 0.452471 0.126517 H\n0.733760 0.624461 0.151435 H\n0.893928 0.695605 0.043573 H\n0.619493 0.719538 0.357360 H\n0.578282 0.960932 0.352225 H\n0.376053 0.287535 0.349466 H\n0.284784 0.138073 0.454570 H\n0.714413 0.378924 0.357252 H\n0.976657 0.352541 0.344147 H\n0.033594 0.642240 0.372984 H\n0.294154 0.631623 0.359609 H\n0.548284 0.038239 0.884153 H\n0.634243 0.270602 0.876610 H\n0.266482 0.150005 0.856925 H\n0.406879 0.774449 0.865040 H\n0.025991 0.574287 0.864048 H\n0.762389 0.605249 0.866733 H\n0.154934 0.303822 0.945232 H\n0.364326 0.554023 0.710862 H\n0.279874 0.098011 0.613515 O\n0.662447 0.886191 0.627028 O\n0.121820 0.652338 0.638035 O\n0.872382 0.308708 0.628769 O\n0.302317 0.853774 0.116237 O\n0.725098 0.145125 0.138914 O\n0.152226 0.329125 0.120802 O\n0.880498 0.679087 0.135065 O\n0.685669 0.852198 0.379764 O\n0.302696 0.154508 0.363940 O\n0.852659 0.290784 0.382355 O\n0.158666 0.720276 0.388555 O\n0.682941 0.118441 0.887552 O\n0.324770 0.907297 0.875174 O\n0.909578 0.677404 0.882067 O\n0.161248 0.274473 0.856209 O\n0.522790 0.523703 0.719077 O\n0.514221 0.500721 0.188233 O\n0.503585 0.504999 0.325861 O\n0.561856 0.517164 0.853458 O\n",
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"elements": [
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"H",
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"chemical_system": "Ca-H-O",
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"density_atomic": 0.12262663032582281,
"volume": 440.36111778102605,
"volume_molar": 4.9109567342745875,
"formula_full": "Ca2 H32 O20",
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"updated_at": "2021-11-28T01:35:50.511000Z",
"spacegroup": 1
},
{
"id": "mp-774048",
"created_at": "2022-09-04T14:42:21.196689Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.810369 0.000000 0.000000\n0.029747 6.487802 0.000000\n0.142617 3.214271 9.636635\nFe O F\n8 2 14\ndirect\n0.491817 0.621550 0.258083 Fe\n0.511537 0.878323 0.745011 Fe\n0.481439 0.369951 0.760529 Fe\n0.498546 0.128086 0.249857 Fe\n0.018710 0.491185 0.992471 Fe\n0.010002 0.743662 0.496247 Fe\n0.011005 0.009027 0.995594 Fe\n0.017524 0.275419 0.492499 Fe\n0.195542 0.532872 0.406477 O\n0.190185 0.311850 0.907093 O\n0.198371 0.066060 0.401702 F\n0.202661 0.783617 0.901082 F\n0.294157 0.428954 0.147554 F\n0.289741 0.168741 0.649444 F\n0.302951 0.926912 0.149770 F\n0.303541 0.682547 0.649153 F\n0.703481 0.068872 0.849842 F\n0.711171 0.582288 0.852551 F\n0.704531 0.832606 0.349371 F\n0.709942 0.318353 0.353650 F\n0.814325 0.972779 0.592298 F\n0.799543 0.219387 0.100705 F\n0.790675 0.430977 0.604418 F\n0.809701 0.684735 0.096553 F\n",
"nsites": 24,
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"elements": [
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{
"id": "mp-14862",
"created_at": "2022-09-04T14:42:21.301053Z",
"structure_string": "Sr4 Cu4 Si16 O40\n1.0\n7.445429 0.000000 0.000000\n0.000000 7.445429 0.000000\n0.000000 0.000000 15.928852\nSr Cu Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.590345 Cu\n0.000000 0.500000 0.909655 Cu\n0.000000 0.500000 0.409655 Cu\n0.500000 0.000000 0.090345 Cu\n0.180223 0.257636 0.651374 Si\n0.819777 0.742364 0.651374 Si\n0.257636 0.180223 0.848626 Si\n0.757636 0.319777 0.651374 Si\n0.242364 0.680223 0.651374 Si\n0.319777 0.757636 0.848626 Si\n0.680223 0.242364 0.848626 Si\n0.742364 0.819777 0.848626 Si\n0.319777 0.242364 0.348626 Si\n0.680223 0.757636 0.348626 Si\n0.242364 0.319777 0.151374 Si\n0.742364 0.180223 0.348626 Si\n0.257636 0.819777 0.348626 Si\n0.180223 0.742364 0.151374 Si\n0.819777 0.257636 0.151374 Si\n0.757636 0.680223 0.151374 Si\n0.263996 0.113810 0.587153 O\n0.736004 0.886190 0.587153 O\n0.113810 0.263996 0.912847 O\n0.613810 0.236004 0.587153 O\n0.386190 0.763996 0.587153 O\n0.236004 0.613810 0.912847 O\n0.763996 0.386190 0.912847 O\n0.886190 0.736004 0.912847 O\n0.236004 0.386190 0.412847 O\n0.763996 0.613810 0.412847 O\n0.386190 0.236004 0.087153 O\n0.886190 0.263996 0.412847 O\n0.113810 0.736004 0.412847 O\n0.263996 0.886190 0.087153 O\n0.736004 0.113810 0.087153 O\n0.248686 0.037483 0.368593 O\n0.613810 0.763996 0.087153 O\n0.748686 0.537483 0.631407 O\n0.462517 0.251314 0.868593 O\n0.962517 0.248686 0.631407 O\n0.037483 0.751314 0.631407 O\n0.248686 0.962517 0.868593 O\n0.751314 0.037483 0.868593 O\n0.537483 0.748686 0.868593 O\n0.715302 0.715302 0.250000 O\n0.784698 0.215302 0.250000 O\n0.215302 0.784698 0.250000 O\n0.284698 0.284698 0.250000 O\n0.784698 0.784698 0.750000 O\n0.715302 0.284698 0.750000 O\n0.284698 0.715302 0.750000 O\n0.215302 0.215302 0.750000 O\n0.962517 0.751314 0.131407 O\n0.748686 0.462517 0.131407 O\n0.251314 0.537483 0.131407 O\n0.462517 0.748686 0.368593 O\n0.537483 0.251314 0.368593 O\n0.037483 0.248686 0.131407 O\n0.751314 0.962517 0.368593 O\n0.251314 0.462517 0.631407 O\n",
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{
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{
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{
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{
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]
}