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{
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"elements": [
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"updated_at": "2021-11-28T01:38:12.888000Z",
"spacegroup": 60
},
{
"id": "mp-651024",
"created_at": "2022-09-04T14:46:36.640029Z",
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"updated_at": "2021-11-28T01:37:42.349000Z",
"spacegroup": 173
},
{
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"elements": [
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"density": 2.676974604736693,
"density_atomic": 0.05881660516876427,
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"updated_at": "2021-11-28T01:37:46.775000Z",
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},
{
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"formula_full": "Ca32 Mn32 O92",
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"updated_at": "2021-11-28T01:35:06.189000Z",
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},
{
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0.574997 Mg\n0.299988 0.899975 0.524998 Mg\n0.100025 0.700012 0.475002 Mg\n0.900021 0.500035 0.425003 Mg\n0.700046 0.299993 0.375007 Mg\n0.500057 0.100128 0.325041 Mg\n0.300817 0.900418 0.275151 Mg\n0.097637 0.698029 0.225528 Mg\n0.902114 0.502404 0.174511 Mg\n0.699975 0.300037 0.125001 Mg\n0.498040 0.097650 0.075509 Mg\n0.302733 0.902745 0.024618 Mg\n0.097255 0.697267 0.975382 Mg\n0.902350 0.501960 0.924491 Mg\n0.920431 0.878146 0.850307 P\n0.521459 0.479395 0.749628 P\n0.121119 0.078874 0.649988 P\n0.721109 0.678869 0.549969 P\n0.479541 0.721798 0.899687 P\n0.321131 0.278891 0.450031 P\n0.079307 0.320688 0.799994 P\n0.921126 0.878881 0.350012 P\n0.678457 0.920829 0.699908 P\n0.520605 0.478541 0.250372 P\n0.278886 0.521127 0.599980 P\n0.121854 0.079569 0.149693 P\n0.878898 0.121102 0.500000 P\n0.721056 0.679510 0.050055 P\n0.478873 0.721114 0.400020 P\n0.320490 0.278944 0.949945 P\n0.079171 0.321543 0.300092 P\n0.679312 0.920693 0.200006 P\n0.278202 0.520459 0.100313 P\n0.879003 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0.438408 O\n0.535755 0.575488 0.611590 O\n0.975551 0.135695 0.361593 O\n0.277501 0.733544 0.584163 O\n0.333665 0.077453 0.634151 O\n0.866529 0.322694 0.315890 O\n0.922547 0.666335 0.365849 O\n0.224498 0.264336 0.588416 O\n0.664302 0.824479 0.338429 O\n0.135689 0.175512 0.511587 O\n0.577065 0.736498 0.261792 O\n0.877530 0.333699 0.484157 O\n0.933540 0.677483 0.534166 O\n0.464749 0.919935 0.215804 O\n0.525706 0.267013 0.266179 O\n0.824488 0.864311 0.488413 O\n0.262050 0.423185 0.239187 O\n0.735664 0.775502 0.411584 O\n0.177062 0.338070 0.160865 O\n0.477546 0.933704 0.384154 O\n0.533780 0.277535 0.434149 O\n0.066409 0.525403 0.116109 O\n0.086868 0.513186 0.200013 O\n0.123218 0.868772 0.165756 O\n0.424512 0.464245 0.388410 O\n0.863937 0.023240 0.138247 O\n0.335762 0.375761 0.311636 O\n0.778721 0.934849 0.061748 O\n0.077880 0.534198 0.284223 O\n0.133660 0.877554 0.334160 O\n0.669235 0.126379 0.016051 O\n0.720087 0.464956 0.065854 O\n0.024809 0.064667 0.288460 O\n0.465778 0.621918 0.038325 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F\n0.286560 0.713440 0.000000 F\n",
"nsites": 160,
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"elements": [
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],
"chemical_system": "Ca-F-Mg-O-P",
"density": 3.1093155052712667,
"density_atomic": 0.08427307276844648,
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"formula_full": "Ca20 Mg20 P20 O84 F16",
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"updated_at": "2021-11-28T01:35:15.984000Z",
"spacegroup": 5
},
{
"id": "mp-645044",
"created_at": "2022-09-04T14:46:28.104415Z",
"structure_string": "Mn8 Hg16 C48 S48 N48\n1.0\n11.505990 0.000000 -2.159024\n0.000000 14.386880 0.000000\n0.017556 0.000000 20.916995\nMn Hg C S N\n8 16 48 48 48\ndirect\n0.952705 0.222926 0.488532 Mn\n0.047295 0.777074 0.511468 Mn\n0.952705 0.277074 0.988532 Mn\n0.047295 0.722926 0.011468 Mn\n0.663527 0.761614 0.317410 Mn\n0.663527 0.738386 0.817410 Mn\n0.336473 0.238386 0.682590 Mn\n0.336473 0.261614 0.182590 Mn\n0.341473 0.044745 0.937968 Hg\n0.156158 0.636620 0.271900 Hg\n0.826373 0.408706 0.228027 Hg\n0.568544 0.616365 0.058142 Hg\n0.843842 0.363380 0.728100 Hg\n0.173627 0.908706 0.271973 Hg\n0.843842 0.136620 0.228100 Hg\n0.156158 0.863380 0.771900 Hg\n0.341473 0.455255 0.437968 Hg\n0.431456 0.116365 0.441858 Hg\n0.826373 0.091294 0.728027 Hg\n0.568544 0.883635 0.558142 Hg\n0.431456 0.383635 0.941858 Hg\n0.658527 0.544745 0.562032 Hg\n0.173627 0.591294 0.771973 Hg\n0.658527 0.955255 0.062032 Hg\n0.440145 0.689119 0.508085 C\n0.896023 0.766301 0.265959 C\n0.952276 0.113599 0.100984 C\n0.945348 0.070589 0.605554 C\n0.606355 0.899972 0.717958 C\n0.814925 0.742217 0.068139 C\n0.952276 0.386401 0.600984 C\n0.803396 0.143012 0.874514 C\n0.814925 0.757783 0.568139 C\n0.597652 0.912191 0.208487 C\n0.103977 0.266301 0.234041 C\n0.896023 0.733699 0.765959 C\n0.693196 0.594198 0.929408 C\n0.306804 0.405802 0.070592 C\n0.259008 0.115911 0.072136 C\n0.393645 0.100028 0.282042 C\n0.440145 0.810881 0.008085 C\n0.306804 0.094198 0.570592 C\n0.559855 0.310881 0.491915 C\n0.103977 0.233699 0.734041 C\n0.393645 0.399972 0.782042 C\n0.945348 0.429411 0.105554 C\n0.402348 0.412191 0.291513 C\n0.693196 0.905802 0.429408 C\n0.803396 0.356988 0.374514 C\n0.606355 0.600028 0.217958 C\n0.803560 0.106320 0.371350 C\n0.054652 0.570589 0.894446 C\n0.054652 0.929411 0.394446 C\n0.803560 0.393680 0.871350 C\n0.740992 0.884089 0.927864 C\n0.185075 0.257783 0.931861 C\n0.047724 0.886401 0.899016 C\n0.408684 0.761869 0.341545 C\n0.559855 0.189119 0.991915 C\n0.408684 0.738131 0.841545 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N\n0.372245 0.161234 0.244298 N\n0.495319 0.259159 0.168075 N\n0.952228 0.329858 0.560354 N\n0.710106 0.670502 0.386247 N\n0.887622 0.772398 0.537251 N\n0.627755 0.838766 0.755702 N\n0.181442 0.265750 0.205410 N\n0.952228 0.170142 0.060354 N\n0.692101 0.642901 0.884074 N\n",
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"elements": [
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],
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"formula_full": "Mn8 Hg16 C48 S48 N48",
"formula_reduced": "MnHg2C6(SN)6",
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"energy": -1127.08149261,
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"updated_at": "2021-11-28T01:37:36.616000Z",
"spacegroup": 14
},
{
"id": "mp-683974",
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{
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{
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"created_at": "2022-09-04T14:43:11.441365Z",
"structure_string": "Co16 Pb4 C64 O64\n1.0\n12.259469 0.000000 0.000000\n0.000000 12.344848 0.000000\n0.000000 0.000000 17.287411\nCo Pb C O\n16 4 64 64\ndirect\n0.232734 0.933024 0.010191 Co\n0.937121 0.268189 0.177458 Co\n0.732734 0.433024 0.989809 Co\n0.437121 0.768189 0.822542 Co\n0.937121 0.231811 0.677458 Co\n0.767266 0.066976 0.989809 Co\n0.562879 0.268189 0.677458 Co\n0.267266 0.933024 0.510191 Co\n0.267266 0.566976 0.010191 Co\n0.062879 0.768189 0.322542 Co\n0.437121 0.731811 0.322542 Co\n0.562879 0.231811 0.177458 Co\n0.732734 0.066976 0.489809 Co\n0.767266 0.433024 0.489809 Co\n0.232734 0.566976 0.510191 Co\n0.062879 0.731811 0.822542 Co\n0.750000 0.250000 0.584509 Pb\n0.750000 0.250000 0.084509 Pb\n0.250000 0.750000 0.915491 Pb\n0.250000 0.750000 0.415491 Pb\n0.277612 0.495339 0.426523 C\n0.282429 0.048702 0.568278 C\n0.833426 0.370334 0.930846 C\n0.646526 0.352559 0.735864 C\n0.446209 0.277811 0.736818 C\n0.404860 0.609685 0.019302 C\n0.777612 0.504661 0.073477 C\n0.932130 0.375558 0.680938 C\n0.146526 0.852559 0.264136 C\n0.722388 0.995339 0.073477 C\n0.567870 0.375558 0.180938 C\n0.666574 0.370334 0.430846 C\n0.222388 0.495339 0.926523 C\n0.567870 0.124442 0.680938 C\n0.646526 0.147441 0.235864 C\n0.782429 0.951298 0.931722 C\n0.053791 0.222189 0.736818 C\n0.333426 0.870334 0.069154 C\n0.333426 0.629666 0.569154 C\n0.853474 0.147441 0.735864 C\n0.067870 0.624442 0.319062 C\n0.595140 0.109685 0.480698 C\n0.404860 0.890315 0.519302 C\n0.995420 0.329358 0.094472 C\n0.995420 0.170642 0.594472 C\n0.004580 0.670643 0.905528 C\n0.432130 0.875558 0.319062 C\n0.932130 0.124442 0.180938 C\n0.504580 0.329358 0.594472 C\n0.146526 0.647441 0.764136 C\n0.004580 0.829357 0.405528 C\n0.166574 0.629666 0.069154 C\n0.222388 0.004661 0.426523 C\n0.166574 0.870334 0.569154 C\n0.053791 0.277811 0.236818 C\n0.282429 0.451298 0.068278 C\n0.946209 0.722189 0.763182 C\n0.432130 0.624442 0.819062 C\n0.853474 0.352559 0.235864 C\n0.504580 0.170642 0.094472 C\n0.217571 0.451298 0.568278 C\n0.717571 0.548702 0.931722 C\n0.904860 0.390315 0.480698 C\n0.782429 0.548702 0.431722 C\n0.353474 0.647441 0.264136 C\n0.553791 0.777811 0.763182 C\n0.277612 0.004661 0.926523 C\n0.495420 0.829357 0.905528 C\n0.717571 0.951298 0.431722 C\n0.904860 0.109685 0.980698 C\n0.946209 0.777811 0.263182 C\n0.722388 0.504661 0.573477 C\n0.095140 0.890315 0.019302 C\n0.095140 0.609685 0.519302 C\n0.067870 0.875558 0.819062 C\n0.553791 0.722189 0.263182 C\n0.446209 0.222189 0.236818 C\n0.777612 0.995339 0.573477 C\n0.666574 0.129666 0.930846 C\n0.833426 0.129666 0.430846 C\n0.217571 0.048702 0.068278 C\n0.495420 0.670643 0.405528 C\n0.353474 0.852559 0.764136 C\n0.595140 0.390315 0.980698 C\n0.869909 0.784537 0.224451 O\n0.130091 0.284537 0.275549 O\n0.630091 0.715463 0.224451 O\n0.305400 0.589675 0.223576 O\n0.194042 0.057844 0.375083 O\n0.059939 0.969118 0.815173 O\n0.940061 0.030882 0.184827 O\n0.194042 0.442156 0.875083 O\n0.206550 0.124830 0.106453 O\n0.559939 0.030882 0.684827 O\n0.399010 0.838038 0.111659 O\n0.100990 0.661962 0.111659 O\n0.369909 0.284537 0.775549 O\n0.899010 0.338038 0.888341 O\n0.460609 0.127903 0.043450 O\n0.206550 0.375170 0.606453 O\n0.539391 0.872097 0.956550 O\n0.460609 0.372097 0.543450 O\n0.694042 0.942156 0.124917 O\n0.805958 0.557844 0.124917 O\n0.495792 0.868604 0.529983 O\n0.793450 0.624830 0.393547 O\n0.899010 0.161962 0.388341 O\n0.293450 0.375170 0.106453 O\n0.793450 0.875170 0.893547 O\n0.694042 0.557844 0.624917 O\n0.940061 0.469118 0.684827 O\n0.504208 0.368604 0.970017 O\n0.004208 0.631396 0.529983 O\n0.495792 0.631396 0.029983 O\n0.805400 0.410325 0.276424 O\n0.059939 0.530882 0.315173 O\n0.559939 0.469118 0.184827 O\n0.004208 0.868604 0.029983 O\n0.805958 0.942156 0.624917 O\n0.305958 0.442156 0.375083 O\n0.440061 0.530882 0.815173 O\n0.100990 0.838038 0.611659 O\n0.706550 0.875170 0.393547 O\n0.440061 0.969118 0.315173 O\n0.293450 0.124830 0.606453 O\n0.600990 0.338038 0.388341 O\n0.130091 0.215463 0.775549 O\n0.630091 0.784537 0.724451 O\n0.869909 0.715463 0.724451 O\n0.039391 0.127903 0.543450 O\n0.194600 0.589675 0.723576 O\n0.694600 0.410325 0.776424 O\n0.039391 0.372097 0.043450 O\n0.805400 0.089675 0.776424 O\n0.706550 0.624830 0.893547 O\n0.995792 0.368604 0.470017 O\n0.600990 0.161962 0.888341 O\n0.960609 0.627903 0.956550 O\n0.960609 0.872097 0.456550 O\n0.194600 0.910325 0.223576 O\n0.995792 0.131396 0.970017 O\n0.399010 0.661962 0.611659 O\n0.305958 0.057844 0.875083 O\n0.369909 0.215463 0.275549 O\n0.305400 0.910325 0.723576 O\n0.694600 0.089675 0.276424 O\n0.504208 0.131396 0.470017 O\n0.539391 0.627903 0.456550 O\n",
"nsites": 148,
"nelements": 4,
"elements": [
"Co",
"Pb",
"C",
"O"
],
"chemical_system": "C-Co-O-Pb",
"density": 2.2622751732016506,
"density_atomic": 0.0565684594281165,
"volume": 2616.298932235705,
"volume_molar": 10.645757054162917,
"formula_full": "Co16 Pb4 C64 O64",
"formula_reduced": "Co4Pb(CO)16",
"formula_anonymous": "AB4C16D16",
"energy": -1153.96182781,
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"band_gap": 3.3534,
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"updated_at": "2021-11-28T01:35:57.153000Z",
"spacegroup": 56
},
{
"id": "mp-1247619",
"created_at": "2022-09-04T14:40:05.675607Z",
"structure_string": "Ca32 Mn24 Al8 O92\n1.0\n10.782240 -0.007032 -0.031843\n-0.009700 15.094284 0.016490\n-0.031176 0.011651 10.678460\nCa Mn Al O\n32 24 8 92\ndirect\n0.020902 0.122781 0.496873 Ca\n0.018440 0.120924 0.996877 Ca\n0.022352 0.624480 0.495418 Ca\n0.025414 0.623606 0.996399 Ca\n0.513599 0.131083 0.502292 Ca\n0.525706 0.124875 0.979167 Ca\n0.524071 0.624127 0.499314 Ca\n0.516225 0.621931 0.994730 Ca\n0.486361 0.375373 0.998220 Ca\n0.477237 0.380510 0.510208 Ca\n0.484071 0.871975 0.990921 Ca\n0.479525 0.871291 0.512087 Ca\n0.975325 0.380705 0.003922 Ca\n0.981449 0.374692 0.501109 Ca\n0.979024 0.876382 0.008279 Ca\n0.975512 0.876564 0.503639 Ca\n0.233401 0.382761 0.252601 Ca\n0.228659 0.373513 0.736105 Ca\n0.228121 0.878146 0.245621 Ca\n0.234687 0.876595 0.751222 Ca\n0.735968 0.380310 0.246556 Ca\n0.728082 0.375940 0.747837 Ca\n0.738355 0.868022 0.244411 Ca\n0.723550 0.874750 0.744908 Ca\n0.244055 0.122744 0.260431 Ca\n0.272450 0.123180 0.734252 Ca\n0.272197 0.625092 0.251664 Ca\n0.268589 0.622224 0.757641 Ca\n0.773037 0.122060 0.256518 Ca\n0.767752 0.123474 0.755560 Ca\n0.774233 0.623728 0.255263 Ca\n0.773673 0.624741 0.754459 Ca\n-0.000104 0.001435 0.250857 Mn\n0.997629 0.999092 0.751943 Mn\n0.002432 0.499097 0.247508 Mn\n0.003284 0.498930 0.750855 Mn\n0.499222 0.501253 0.250789 Mn\n0.498623 0.499937 0.752541 Mn\n0.254682 0.007162 0.003045 Mn\n0.251232 0.499995 0.499862 Mn\n0.749143 0.998540 0.995990 Mn\n0.742463 0.000854 0.501512 Mn\n0.748856 0.501077 0.000639 Mn\n0.752066 0.499467 0.500796 Mn\n0.250601 0.749428 0.003998 Mn\n0.250761 0.751734 0.499273 Mn\n0.752793 0.247764 0.001371 Mn\n0.751896 0.249068 0.502436 Mn\n0.750041 0.748777 0.999151 Mn\n0.750604 0.749696 0.500304 Mn\n0.999039 0.248977 0.743863 Mn\n0.001813 0.749546 0.250103 Mn\n0.001612 0.750764 0.750490 Mn\n0.500629 0.248797 0.743625 Mn\n0.501105 0.749231 0.252171 Mn\n0.498612 0.749597 0.750732 Mn\n0.514664 0.981721 0.234015 Al\n0.497016 0.999501 0.744830 Al\n0.233528 0.995766 0.514452 Al\n0.250494 0.495969 0.003859 Al\n0.254949 0.245641 0.962253 Al\n0.247131 0.247017 0.489651 Al\n0.987303 0.249615 0.270167 Al\n0.520754 0.262110 0.268164 Al\n0.105134 0.263751 0.601807 O\n0.105853 0.770827 0.104260 O\n0.104661 0.773064 0.602645 O\n0.576952 0.251962 0.111560 O\n0.602630 0.270302 0.598469 O\n0.606785 0.772483 0.105158 O\n0.604934 0.766943 0.603896 O\n0.394209 0.217065 0.349131 O\n0.398586 0.233663 0.886414 O\n0.396864 0.727693 0.397693 O\n0.397036 0.732992 0.898728 O\n0.894581 0.230355 0.406139 O\n0.898392 0.231391 0.902693 O\n0.896371 0.730886 0.396579 O\n0.896312 0.727643 0.896085 O\n0.141484 0.240525 0.346858 O\n0.140158 0.228496 0.847106 O\n0.147398 0.730269 0.352584 O\n0.148745 0.732636 0.853506 O\n0.653716 0.230646 0.355511 O\n0.648051 0.230258 0.854435 O\n0.647798 0.727490 0.353605 O\n0.645031 0.729664 0.853624 O\n0.359743 0.263611 0.632062 O\n0.355755 0.772770 0.148298 O\n0.353120 0.770173 0.646865 O\n0.863535 0.269246 0.144909 O\n0.850478 0.270812 0.650480 O\n0.857118 0.768001 0.143890 O\n0.855241 0.772410 0.646601 O\n0.357115 0.484514 0.145845 O\n0.354735 0.479563 0.646452 O\n0.364424 0.004913 0.171698 O\n0.359408 0.986508 0.633479 O\n0.855334 0.481720 0.144952 O\n0.855785 0.479108 0.647329 O\n0.854297 0.980430 0.146185 O\n0.851239 0.977180 0.645664 O\n0.140105 0.013078 0.362964 O\n0.146353 0.027851 0.859713 O\n0.148179 0.518309 0.352557 O\n0.147558 0.510569 0.857380 O\n0.607391 0.033231 0.353109 O\n0.643401 0.016144 0.853749 O\n0.647268 0.519888 0.353723 O\n0.645104 0.520612 0.854761 O\n0.391872 0.021145 0.894766 O\n0.395992 0.522018 0.397496 O\n0.392403 0.509194 0.897100 O\n0.886298 0.022996 0.392711 O\n0.895144 0.019708 0.897157 O\n0.898176 0.517148 0.395928 O\n0.896248 0.517943 0.897965 O\n0.106127 0.485206 0.104662 O\n0.105369 0.478444 0.603502 O\n0.108659 0.984706 0.107992 O\n0.100938 0.981825 0.613558 O\n0.605668 0.478030 0.106297 O\n0.605780 0.482286 0.604618 O\n0.605998 0.981615 0.097927 O\n0.604175 0.981224 0.603706 O\n0.012583 0.372664 0.272977 O\n0.011121 0.373371 0.788309 O\n0.006400 0.875148 0.287436 O\n0.013032 0.875981 0.794398 O\n0.501568 0.377629 0.288126 O\n0.510054 0.374517 0.783844 O\n0.509830 0.872384 0.293238 O\n0.504062 0.875084 0.778862 O\n0.496580 0.124784 0.717930 O\n0.491344 0.625802 0.209251 O\n0.486339 0.624450 0.715016 O\n0.998497 0.129664 0.215867 O\n0.983628 0.124074 0.709230 O\n0.992165 0.625123 0.211947 O\n0.993702 0.625004 0.712027 O\n0.240041 0.146556 0.050523 O\n0.253341 0.120666 0.511127 O\n0.245512 0.626019 0.032926 O\n0.238765 0.625286 0.540896 O\n0.741148 0.123924 0.040061 O\n0.735164 0.124823 0.542207 O\n0.736769 0.624740 0.040244 O\n0.744623 0.625014 0.539789 O\n0.260677 0.373183 0.466325 O\n0.251313 0.357257 0.010198 O\n0.263822 0.879107 0.460884 O\n0.264509 0.882267 0.970950 O\n0.761458 0.374764 0.460700 O\n0.750855 0.373997 0.966739 O\n0.754804 0.876374 0.458474 O\n0.761404 0.873919 0.959099 O\n",
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"elements": [
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"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O",
"density": 4.097885543787144,
"density_atomic": 0.0897633193875844,
"volume": 1737.9036455460794,
"volume_molar": 6.708910500510024,
"formula_full": "Ca32 Mn24 Al8 O92",
"formula_reduced": "Ca8Mn6Al2O23",
"formula_anonymous": "A2B6C8D23",
"energy": -1186.94329162,
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"updated_at": "2021-11-28T01:34:48.098000Z",
"spacegroup": 1
},
{
"id": "mp-1247694",
"created_at": "2022-09-04T14:45:20.576574Z",
"structure_string": "Ca32 Ti4 Mn28 O88\n1.0\n10.876213 -0.021346 -0.094602\n-0.029005 15.542293 0.022707\n-0.092300 0.015439 10.857113\nCa Ti Mn O\n32 4 28 88\ndirect\n0.998379 0.107603 0.507405 Ca\n0.987459 0.115784 0.013049 Ca\n0.019524 0.627538 0.500800 Ca\n0.018003 0.626094 0.995216 Ca\n0.541668 0.127262 0.480058 Ca\n0.546484 0.124195 0.986538 Ca\n0.521926 0.625014 0.500673 Ca\n0.522873 0.624066 0.998631 Ca\n0.496972 0.391198 0.999548 Ca\n0.492837 0.393212 0.499825 Ca\n0.495056 0.857587 0.003248 Ca\n0.495691 0.857115 0.495870 Ca\n0.966150 0.387274 0.999419 Ca\n0.966227 0.390412 0.505404 Ca\n0.968218 0.866947 0.004306 Ca\n0.968928 0.870692 0.515312 Ca\n0.233113 0.394406 0.258835 Ca\n0.235323 0.399101 0.760016 Ca\n0.229444 0.862767 0.259713 Ca\n0.227272 0.870244 0.747335 Ca\n0.733872 0.387746 0.250081 Ca\n0.731585 0.388276 0.754298 Ca\n0.730499 0.863766 0.248497 Ca\n0.737580 0.861392 0.750248 Ca\n0.225985 0.120089 0.243890 Ca\n0.221496 0.111411 0.722771 Ca\n0.271096 0.627442 0.261568 Ca\n0.269150 0.628518 0.758180 Ca\n0.777011 0.116659 0.250942 Ca\n0.781734 0.123527 0.753943 Ca\n0.769095 0.625510 0.256821 Ca\n0.771077 0.624589 0.756282 Ca\n0.990306 0.986990 0.261237 Ti\n0.230234 0.993394 0.011770 Ti\n0.264823 0.232811 0.934790 Ti\n0.988917 0.255863 0.274229 Ti\n0.992266 0.994708 0.754775 Mn\n0.000772 0.503288 0.252595 Mn\n0.000826 0.503060 0.751166 Mn\n0.503457 0.993014 0.234139 Mn\n0.507145 0.986259 0.735179 Mn\n0.497850 0.504139 0.251733 Mn\n0.498431 0.503954 0.753265 Mn\n0.243210 0.996205 0.505414 Mn\n0.249939 0.507297 0.008323 Mn\n0.251002 0.502708 0.504732 Mn\n0.745517 0.995862 0.992335 Mn\n0.741608 0.998117 0.498767 Mn\n0.749924 0.503632 0.004476 Mn\n0.748719 0.503968 0.502809 Mn\n0.266420 0.244922 0.453324 Mn\n0.250532 0.749716 0.006190 Mn\n0.252019 0.749560 0.506130 Mn\n0.756259 0.250837 0.004037 Mn\n0.749290 0.252264 0.506223 Mn\n0.750662 0.745934 0.002088 Mn\n0.750316 0.746911 0.502269 Mn\n0.990599 0.257023 0.755209 Mn\n0.000648 0.746015 0.252659 Mn\n0.002904 0.748794 0.753412 Mn\n0.522232 0.255255 0.253117 Mn\n0.515530 0.253246 0.751793 Mn\n0.499327 0.746301 0.252885 Mn\n0.499316 0.746245 0.754270 Mn\n0.108657 0.776413 0.107663 O\n0.108524 0.773925 0.606735 O\n0.586705 0.258215 0.093073 O\n0.578714 0.257421 0.582165 O\n0.610492 0.763383 0.112562 O\n0.608840 0.765314 0.614239 O\n0.404837 0.194890 0.344995 O\n0.394999 0.178705 0.853294 O\n0.395912 0.728822 0.399567 O\n0.396933 0.729277 0.901871 O\n0.922580 0.239621 0.426437 O\n0.912113 0.239910 0.921109 O\n0.895059 0.728434 0.394074 O\n0.895293 0.730176 0.895536 O\n0.162029 0.253506 0.291976 O\n0.171281 0.249491 0.793267 O\n0.148939 0.733357 0.355258 O\n0.149509 0.734417 0.856235 O\n0.664589 0.223861 0.346195 O\n0.659334 0.225459 0.857987 O\n0.642941 0.727890 0.358826 O\n0.644510 0.725847 0.858731 O\n0.356782 0.773194 0.146784 O\n0.356698 0.771400 0.649962 O\n0.858512 0.271171 0.157307 O\n0.841740 0.276284 0.657472 O\n0.858926 0.769768 0.145109 O\n0.860139 0.768848 0.643816 O\n0.356969 0.482484 0.145802 O\n0.356806 0.485489 0.645976 O\n0.353925 0.022913 0.133121 O\n0.348484 0.996766 0.661191 O\n0.859108 0.481152 0.145836 O\n0.857595 0.481719 0.645405 O\n0.854149 0.979524 0.146277 O\n0.844670 0.977835 0.647761 O\n0.148070 0.006465 0.354397 O\n0.146309 0.022315 0.865862 O\n0.148058 0.519274 0.355475 O\n0.147742 0.518291 0.858308 O\n0.635268 0.028100 0.348335 O\n0.632408 0.029442 0.842364 O\n0.643049 0.520039 0.358023 O\n0.642452 0.519591 0.859838 O\n0.394906 0.520232 0.398215 O\n0.392545 0.515709 0.899059 O\n0.888248 0.011139 0.395274 O\n0.890240 0.016214 0.894041 O\n0.896732 0.520639 0.396372 O\n0.894930 0.517357 0.896003 O\n0.108476 0.474450 0.107659 O\n0.108890 0.478038 0.607606 O\n0.101445 0.976164 0.110810 O\n0.095897 0.984238 0.616002 O\n0.609217 0.484671 0.114167 O\n0.608301 0.485419 0.613782 O\n0.597460 0.988516 0.081228 O\n0.585603 0.991845 0.579189 O\n0.004356 0.380321 0.290141 O\n0.013777 0.378710 0.786012 O\n0.003316 0.869948 0.293377 O\n0.007739 0.871656 0.792228 O\n0.496886 0.376338 0.282288 O\n0.495196 0.377345 0.781232 O\n0.504952 0.870794 0.281701 O\n0.512352 0.871247 0.792104 O\n0.486229 0.624716 0.211843 O\n0.485959 0.626067 0.714561 O\n0.996535 0.127569 0.232246 O\n0.996474 0.134212 0.716123 O\n0.992988 0.625263 0.209446 O\n0.994281 0.624704 0.715380 O\n0.200736 0.152341 0.036909 O\n0.228979 0.127397 0.514947 O\n0.235313 0.631320 0.044611 O\n0.237024 0.627366 0.541913 O\n0.756093 0.125442 0.038378 O\n0.752426 0.124893 0.537858 O\n0.745748 0.623852 0.040853 O\n0.743264 0.625145 0.540640 O\n0.273187 0.368056 0.478849 O\n0.289642 0.339817 0.991490 O\n0.280500 0.880070 0.467534 O\n0.277974 0.886290 0.965957 O\n0.748947 0.377254 0.465760 O\n0.748281 0.376250 0.970711 O\n0.745839 0.873108 0.464555 O\n0.749202 0.871472 0.964423 O\n",
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"elements": [
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"formula_full": "Ca32 Ti4 Mn28 O88",
"formula_reduced": "Ca8TiMn7O22",
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"updated_at": "2021-11-28T01:36:59.028000Z",
"spacegroup": 1
},
{
"id": "mp-28905",
"created_at": "2022-09-04T14:39:16.303796Z",
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"elements": [
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],
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"density": 2.32018572466321,
"density_atomic": 0.08950328080368537,
"volume": 1407.7696244047831,
"volume_molar": 6.728402250649155,
"formula_full": "Sr6 C120",
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"updated_at": "2021-11-28T01:34:30.149000Z",
"spacegroup": 200
}
]
}