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{
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{
"id": "mp-1179359",
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"structure_string": "Sr4 C8 O16\n1.0\n5.040997 0.000000 0.000000\n0.000000 6.837141 0.000000\n0.000000 0.000000 11.539241\nSr C O\n4 8 16\ndirect\n0.492053 0.005479 0.570424 Sr\n0.992053 0.494521 0.429576 Sr\n0.507947 0.505479 0.929576 Sr\n0.007947 0.994521 0.070424 Sr\n0.171593 0.616155 0.694561 C\n0.671593 0.883845 0.305439 C\n0.828407 0.116155 0.805439 C\n0.328407 0.383845 0.194561 C\n0.678855 0.920174 0.830383 C\n0.178855 0.579826 0.169617 C\n0.321145 0.420174 0.669617 C\n0.821145 0.079826 0.330383 C\n0.118588 0.720283 0.604931 O\n0.618588 0.779717 0.395069 O\n0.881412 0.220283 0.895069 O\n0.381412 0.279717 0.104931 O\n0.121566 0.652695 0.798735 O\n0.621566 0.847305 0.201265 O\n0.878434 0.152695 0.701265 O\n0.378434 0.347305 0.298735 O\n0.606809 0.818391 0.745090 O\n0.106809 0.681609 0.254910 O\n0.393191 0.318391 0.754910 O\n0.893191 0.181609 0.245090 O\n0.637134 0.873125 0.936428 O\n0.137134 0.626875 0.063572 O\n0.362866 0.373125 0.563572 O\n0.862866 0.126875 0.436428 O\n",
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{
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"structure_string": "Sr4 C8 O16\n1.0\n6.905397 0.000000 0.000000\n0.000000 7.454964 0.000000\n0.000000 0.000000 8.779091\nSr C O\n4 8 16\ndirect\n0.997410 0.760873 0.170861 Sr\n0.002590 0.260873 0.329139 Sr\n0.497410 0.739127 0.829139 Sr\n0.502590 0.239127 0.670861 Sr\n0.617877 0.556190 0.193306 C\n0.382123 0.056190 0.306694 C\n0.117877 0.943810 0.806694 C\n0.882123 0.443810 0.693306 C\n0.229228 0.362707 0.991370 C\n0.770772 0.862707 0.508630 C\n0.729228 0.137293 0.008630 C\n0.270772 0.637293 0.491370 C\n0.749745 0.494300 0.275750 O\n0.250255 0.994300 0.224250 O\n0.249745 0.005700 0.724250 O\n0.750255 0.505700 0.775750 O\n0.622465 0.681893 0.097726 O\n0.377535 0.181893 0.402274 O\n0.122465 0.818107 0.902274 O\n0.877535 0.318107 0.597726 O\n0.343106 0.419774 0.892151 O\n0.656894 0.919774 0.607849 O\n0.843106 0.080226 0.107849 O\n0.156894 0.580226 0.392151 O\n0.131931 0.439322 0.092888 O\n0.868069 0.939322 0.407112 O\n0.631931 0.060678 0.907112 O\n0.368069 0.560678 0.592888 O\n",
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"elements": [
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"formula_full": "Sr4 C8 O16",
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},
{
"id": "mp-1202303",
"created_at": "2022-09-04T14:40:22.305966Z",
"structure_string": "Sr4 C12 O24\n1.0\n9.407320 0.000000 0.000000\n0.000000 7.440108 0.000000\n0.000000 1.632403 8.036324\nSr C O\n4 12 24\ndirect\n0.327317 0.543535 0.828838 Sr\n0.827317 0.956465 0.171162 Sr\n0.672683 0.456465 0.171162 Sr\n0.172683 0.043535 0.828838 Sr\n0.600325 0.676738 0.518389 C\n0.100325 0.823262 0.481611 C\n0.399675 0.323262 0.481611 C\n0.899675 0.176738 0.518389 C\n0.698467 0.580768 0.728804 C\n0.198467 0.919232 0.271196 C\n0.301533 0.419232 0.271196 C\n0.801533 0.080768 0.728804 C\n0.503576 0.900175 0.983562 C\n0.003576 0.599825 0.016438 C\n0.496424 0.099825 0.016438 C\n0.996424 0.400175 0.983562 C\n0.609931 0.518608 0.836384 O\n0.109931 0.981392 0.163616 O\n0.390069 0.481392 0.163616 O\n0.890069 0.018608 0.836384 O\n0.403454 0.851574 0.897484 O\n0.903454 0.648426 0.102516 O\n0.596546 0.148426 0.102516 O\n0.096546 0.351574 0.897484 O\n0.475760 0.689625 0.554806 O\n0.975760 0.810375 0.445194 O\n0.524240 0.310375 0.445194 O\n0.024240 0.189625 0.554806 O\n0.680566 0.699357 0.397719 O\n0.180566 0.800643 0.602281 O\n0.319434 0.300643 0.602281 O\n0.819434 0.199357 0.397719 O\n0.608161 0.802953 0.045413 O\n0.108161 0.697047 0.954587 O\n0.391839 0.197047 0.954587 O\n0.891839 0.302953 0.045413 O\n0.824820 0.604375 0.706582 O\n0.324820 0.895625 0.293418 O\n0.175180 0.395625 0.293418 O\n0.675180 0.104375 0.706582 O\n",
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"elements": [
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"formula_full": "Sr4 C12 O24",
"formula_reduced": "Sr(CO2)3",
"formula_anonymous": "AB3C6",
"energy": -313.39438158,
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"updated_at": "2021-11-28T01:34:50.766000Z",
"spacegroup": 14
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{
"id": "mp-562127",
"created_at": "2022-09-04T14:39:05.227241Z",
"structure_string": "Sr4 Co8 As8 H16 O40\n1.0\n13.109288 0.000000 0.000000\n0.000000 7.590701 0.000000\n0.000000 3.834848 8.399987\nSr Co As H O\n4 8 8 16 40\ndirect\n0.129859 0.994783 0.256302 Sr\n0.870141 0.005217 0.743698 Sr\n0.370141 0.994783 0.756302 Sr\n0.629859 0.005217 0.243698 Sr\n0.251104 0.507498 0.996252 Co\n0.748896 0.492502 0.003748 Co\n0.500000 0.500000 0.000000 Co\n0.248896 0.507498 0.496252 Co\n0.751104 0.492502 0.503748 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.132662 0.218803 0.830328 As\n0.632662 0.781197 0.669672 As\n0.881524 0.221220 0.318425 As\n0.367338 0.218803 0.330328 As\n0.118476 0.778780 0.681575 As\n0.867338 0.781197 0.169672 As\n0.618476 0.221220 0.818425 As\n0.381524 0.778780 0.181575 As\n0.415086 0.107208 0.102816 H\n0.874894 0.442180 0.790593 H\n0.915086 0.892792 0.397184 H\n0.872554 0.678424 0.606703 H\n0.872266 0.241897 0.961794 H\n0.584914 0.892792 0.897184 H\n0.127734 0.758103 0.038206 H\n0.125106 0.557820 0.209407 H\n0.372554 0.321576 0.893297 H\n0.627734 0.241897 0.461794 H\n0.627446 0.678424 0.106703 H\n0.372266 0.758103 0.538206 H\n0.084914 0.107208 0.602816 H\n0.374894 0.557820 0.709407 H\n0.625106 0.442180 0.290593 H\n0.127446 0.321576 0.393297 H\n0.861537 0.003642 0.014378 O\n0.138463 0.996358 0.985622 O\n0.272428 0.756774 0.288090 O\n0.376568 0.452398 0.888010 O\n0.623432 0.547602 0.111990 O\n0.258218 0.267188 0.213857 O\n0.887989 0.970995 0.455185 O\n0.638463 0.003642 0.514378 O\n0.968376 0.770047 0.296350 O\n0.992772 0.256443 0.212357 O\n0.122799 0.677142 0.546350 O\n0.376870 0.386461 0.413284 O\n0.377201 0.677142 0.046350 O\n0.622799 0.322858 0.953650 O\n0.124809 0.612265 0.085032 O\n0.241782 0.267188 0.713857 O\n0.492772 0.743557 0.287643 O\n0.876568 0.547602 0.611990 O\n0.624809 0.387735 0.414968 O\n0.875191 0.387735 0.914968 O\n0.112011 0.029005 0.544815 O\n0.123130 0.386461 0.913284 O\n0.758218 0.732812 0.286143 O\n0.612011 0.970995 0.955185 O\n0.877201 0.322858 0.453650 O\n0.387989 0.029005 0.044815 O\n0.375191 0.612265 0.585032 O\n0.007228 0.743557 0.787643 O\n0.772428 0.243226 0.211910 O\n0.876870 0.613539 0.086716 O\n0.727572 0.243226 0.711910 O\n0.227572 0.756774 0.788090 O\n0.361537 0.996358 0.485622 O\n0.741782 0.732812 0.786143 O\n0.623130 0.613539 0.586716 O\n0.031624 0.229953 0.703650 O\n0.507228 0.256443 0.712357 O\n0.123432 0.452398 0.388010 O\n0.531624 0.770047 0.796350 O\n0.468376 0.229953 0.203650 O\n",
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"density": 4.1269964488198845,
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"formula_full": "Sr4 Co8 As8 H16 O40",
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{
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"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.568957 0.000000 0.000000\n-0.786343 7.238062 0.000000\n-1.545021 -3.417112 8.955072\nSr Co As O\n2 4 4 16\ndirect\n0.671033 0.779769 0.524614 Sr\n0.328967 0.220231 0.475386 Sr\n0.528489 0.645199 0.878861 Co\n0.135334 0.875564 0.063273 Co\n0.471511 0.354801 0.121139 Co\n0.864666 0.124436 0.936727 Co\n0.928925 0.416652 0.749520 As\n0.071075 0.583348 0.250480 As\n0.228898 0.870412 0.716022 As\n0.771102 0.129588 0.283978 As\n0.612903 0.262779 0.972343 O\n0.772074 0.537308 0.274794 O\n0.729802 0.433177 0.602571 O\n0.538114 0.835382 0.779487 O\n0.121911 0.818362 0.241533 O\n0.387097 0.737221 0.027657 O\n0.461886 0.164618 0.220513 O\n0.270198 0.566823 0.397429 O\n0.137288 0.406050 0.094699 O\n0.853513 0.000926 0.083932 O\n0.146487 0.999074 0.916068 O\n0.878089 0.181638 0.758467 O\n0.317683 0.022167 0.624405 O\n0.682317 0.977833 0.375595 O\n0.862712 0.593950 0.905301 O\n0.227926 0.462692 0.725206 O\n",
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{
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"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.871763 0.000000 0.000000\n-0.954428 7.056303 0.000000\n-2.929263 -3.042168 8.249059\nSr Co As O\n2 4 4 16\ndirect\n0.819967 0.757351 0.510347 Sr\n0.180033 0.242649 0.489653 Sr\n0.924149 0.209726 0.087881 Co\n0.075851 0.790274 0.912119 Co\n0.659149 0.774095 0.090654 Co\n0.340851 0.225905 0.909346 Co\n0.477341 0.832076 0.728205 As\n0.522659 0.167924 0.271795 As\n0.183282 0.689304 0.257089 As\n0.816718 0.310696 0.742911 As\n0.972921 0.691966 0.078230 O\n0.027079 0.308034 0.921770 O\n0.651879 0.382081 0.093615 O\n0.348121 0.617919 0.906385 O\n0.258000 0.080734 0.088384 O\n0.742000 0.919266 0.911616 O\n0.768973 0.073597 0.221465 O\n0.231027 0.926403 0.778535 O\n0.158526 0.463987 0.294528 O\n0.841474 0.536013 0.705472 O\n0.478895 0.780945 0.266764 O\n0.521105 0.219055 0.733236 O\n0.364931 0.584416 0.744314 O\n0.635069 0.415584 0.255686 O\n0.125060 0.861729 0.405183 O\n0.874940 0.138271 0.594817 O\n",
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"formula_full": "Sr2 Co4 As4 O16",
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{
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"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.631571 -0.001146 -1.140493\n-1.642822 6.539877 -2.557726\n0.014417 -0.147574 9.573629\nSr Co As O\n2 4 4 16\ndirect\n0.254570 0.203281 0.450997 Sr\n0.752741 0.797542 0.551359 Sr\n0.520295 0.618658 0.847451 Co\n0.478670 0.387081 0.160748 Co\n0.855785 0.140119 0.942512 Co\n0.139197 0.859206 0.056033 Co\n0.343063 0.022353 0.801141 As\n0.656751 0.979790 0.201320 As\n0.895507 0.420599 0.740649 As\n0.104040 0.577620 0.255098 As\n0.870188 0.599327 0.916491 O\n0.125753 0.396785 0.079329 O\n0.526190 0.260663 0.939749 O\n0.475213 0.738173 0.066234 O\n0.100028 0.939754 0.865017 O\n0.895981 0.058463 0.133155 O\n0.559382 0.873764 0.801288 O\n0.436786 0.124518 0.198318 O\n0.828202 0.178671 0.735605 O\n0.161429 0.820251 0.261036 O\n0.176741 0.471342 0.704707 O\n0.830035 0.524977 0.297993 O\n0.229592 0.990776 0.614492 O\n0.771569 0.014555 0.388427 O\n0.665532 0.457380 0.615089 O\n0.346760 0.544352 0.375763 O\n",
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"formula_full": "Sr2 Co4 As4 O16",
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{
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