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{
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"results": [
{
"id": "mp-655591",
"created_at": "2022-09-04T14:39:05.679694Z",
"structure_string": "Li2 B26 C4\n1.0\n-2.837602 4.021402 5.419954\n2.837602 -4.021402 5.419954\n2.837602 4.021402 -5.419954\nLi B C\n2 26 4\ndirect\n0.561966 0.250000 0.311966 Li\n0.438034 0.750000 0.688034 Li\n0.350685 0.333864 0.016821 B\n0.381950 0.677728 0.201352 B\n0.023624 0.319402 0.201352 B\n0.618050 0.322272 0.798648 B\n0.776428 0.767541 0.680609 B\n0.413067 0.404181 0.680609 B\n0.618050 0.819402 0.295778 B\n0.023624 0.822272 0.704222 B\n0.586933 0.267541 0.991113 B\n0.649315 0.666136 0.983179 B\n0.756633 0.574513 0.182120 B\n0.413067 0.732459 0.008887 B\n0.976376 0.680598 0.798648 B\n0.182957 0.166136 0.016821 B\n0.381950 0.180598 0.704222 B\n0.890811 0.250000 0.640811 B\n0.223572 0.904180 0.991113 B\n0.817043 0.833864 0.983179 B\n0.892393 0.074513 0.817880 B\n0.586933 0.595820 0.319391 B\n0.776428 0.095820 0.008887 B\n0.107607 0.925487 0.182120 B\n0.976376 0.177728 0.295778 B\n0.243367 0.425487 0.817880 B\n0.109189 0.750000 0.359189 B\n0.223572 0.232459 0.319391 B\n0.255303 0.881224 0.374079 C\n0.992855 0.618776 0.374079 C\n0.007145 0.381224 0.625921 C\n0.744697 0.118776 0.625921 C\n",
"nsites": 32,
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"elements": [
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"formula_full": "Li2 B26 C4",
"formula_reduced": "LiB13C2",
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"updated_at": "2021-11-28T01:34:29.350000Z",
"spacegroup": 74
},
{
"id": "mp-626435",
"created_at": "2022-09-04T14:48:09.510277Z",
"structure_string": "Al4 H12 O12\n1.0\n5.172536 0.000000 0.000000\n0.956648 6.249962 0.000000\n0.583945 0.666658 6.695029\nAl H O\n4 12 12\ndirect\n0.539239 0.165236 0.833232 Al\n0.491643 0.830835 0.172708 Al\n0.022643 0.327966 0.668786 Al\n0.008031 0.669239 0.337427 Al\n0.192139 0.951043 0.812667 H\n0.833581 0.048791 0.195264 H\n0.650176 0.466266 0.326768 H\n0.383052 0.531595 0.682980 H\n0.276147 0.288838 0.319643 H\n0.773339 0.710243 0.692439 H\n0.864990 0.833499 0.939843 H\n0.171013 0.171047 0.078295 H\n0.756298 0.091961 0.494170 H\n0.275685 0.902776 0.512530 H\n0.245920 0.598774 0.988072 H\n0.781871 0.399076 0.015801 H\n0.257621 0.060536 0.715908 O\n0.772722 0.935994 0.290807 O\n0.720908 0.563773 0.220272 O\n0.309339 0.432904 0.787041 O\n0.172973 0.387897 0.408550 O\n0.856016 0.608858 0.597628 O\n0.679477 0.868724 0.912674 O\n0.358200 0.127462 0.094301 O\n0.745918 0.193785 0.596656 O\n0.283697 0.803298 0.408403 O\n0.203542 0.715414 0.078630 O\n0.826286 0.282152 0.926149 O\n",
"nsites": 28,
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"elements": [
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"H",
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],
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"density": 2.393812572281992,
"density_atomic": 0.12936734642546366,
"volume": 216.43792482156607,
"volume_molar": 4.6550701752777455,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy": -172.19932091,
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"updated_at": "2021-11-28T01:38:32.252000Z",
"spacegroup": 1
},
{
"id": "mp-1103290",
"created_at": "2022-09-04T14:40:34.913801Z",
"structure_string": "Mg1 B2 H8\n1.0\n2.138512 -3.704011 0.000000\n2.138512 3.704011 0.000000\n0.000000 0.000000 5.365883\nMg B H\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.795633 B\n0.333333 0.666667 0.204367 B\n0.361254 0.180627 0.708765 H\n0.819373 0.638746 0.708765 H\n0.819373 0.180627 0.708765 H\n0.638746 0.819373 0.291235 H\n0.180627 0.361254 0.291235 H\n0.180627 0.819373 0.291235 H\n0.666667 0.333333 0.022965 H\n0.333333 0.666667 0.977035 H\n",
"nsites": 11,
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"elements": [
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"B",
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],
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"density": 1.0546575205650923,
"density_atomic": 0.1294009698201369,
"volume": 85.00709086871326,
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"formula_full": "Mg1 B2 H8",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy": -45.4705947,
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"updated_at": "2021-11-28T01:35:03.585000Z",
"spacegroup": 164
},
{
"id": "mp-638070",
"created_at": "2022-09-04T14:42:38.303243Z",
"structure_string": "Li2 B26 C4\n1.0\n-2.838638 4.021351 5.414146\n2.838638 -4.021351 5.414146\n2.838638 4.021351 -5.414146\nLi B C\n2 26 4\ndirect\n0.194489 0.500000 0.694489 Li\n0.324513 0.000000 0.324513 Li\n0.408020 0.415908 0.992112 B\n0.375891 0.567778 0.303720 B\n0.735942 0.927829 0.303720 B\n0.130026 0.920700 0.694907 B\n0.982127 0.654112 0.999925 B\n0.345813 0.017798 0.999925 B\n0.130026 0.435119 0.209325 B\n0.735942 0.432222 0.808113 B\n0.163531 0.153374 0.679876 B\n0.097773 0.082422 0.015351 B\n0.001749 0.175657 0.826091 B\n0.345813 0.345888 0.328015 B\n0.774207 0.564881 0.694907 B\n0.576205 0.584092 0.992112 B\n0.375891 0.072171 0.808113 B\n0.867881 0.500000 0.367881 B\n0.526502 0.516345 0.679876 B\n0.932929 0.917578 0.015351 B\n0.856478 0.675415 0.181064 B\n0.163531 0.483655 0.010157 B\n0.982127 0.982202 0.328015 B\n0.650434 0.824343 0.826091 B\n0.774207 0.079300 0.209325 B\n0.505649 0.324585 0.181064 B\n0.642635 0.000000 0.642635 B\n0.526502 0.846626 0.010157 B\n0.503817 0.868495 0.635323 C\n0.766828 0.131505 0.635323 C\n0.743045 0.367580 0.375465 C\n0.007885 0.632420 0.375465 C\n",
"nsites": 32,
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"elements": [
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"B",
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],
"chemical_system": "B-C-Li",
"density": 2.3040130976230024,
"density_atomic": 0.12944283915551838,
"volume": 247.21336621451712,
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"formula_full": "Li2 B26 C4",
"formula_reduced": "LiB13C2",
"formula_anonymous": "AB2C13",
"energy": -219.64917325,
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"updated_at": "2021-11-28T01:35:48.441000Z",
"spacegroup": 44
},
{
"id": "mp-775736",
"created_at": "2022-09-04T14:43:58.811077Z",
"structure_string": "Co4 P4 H84 N20 O28\n1.0\n14.645062 0.000000 0.000000\n0.000000 8.659299 0.000000\n0.000000 5.304760 8.526823\nCo P H N O\n4 4 84 20 28\ndirect\n0.157965 0.306362 0.774827 Co\n0.657965 0.693638 0.725173 Co\n0.342035 0.306362 0.274827 Co\n0.842035 0.693638 0.225173 Co\n0.373664 0.361662 0.772330 P\n0.873664 0.638338 0.727670 P\n0.126336 0.361662 0.272330 P\n0.626336 0.638338 0.227670 P\n0.081942 0.016689 0.969042 H\n0.700970 0.176851 0.896141 H\n0.536783 0.181794 0.972112 H\n0.792770 0.296378 0.839378 H\n0.992344 0.395205 0.692000 H\n0.827621 0.522557 0.519069 H\n0.662749 0.421419 0.698563 H\n0.251446 0.548514 0.557311 H\n0.554269 0.468016 0.712383 H\n0.958279 0.680428 0.413678 H\n0.609818 0.585826 0.541990 H\n0.145095 0.628595 0.527928 H\n0.645095 0.371405 0.972072 H\n0.993496 0.827853 0.233629 H\n0.109818 0.414174 0.958010 H\n0.054269 0.531984 0.787617 H\n0.751446 0.451486 0.942689 H\n0.417581 0.732568 0.475057 H\n0.183266 0.011493 0.040261 H\n0.492015 0.817670 0.338080 H\n0.731646 0.888925 0.253136 H\n0.801760 0.813217 0.403999 H\n0.162749 0.578581 0.801437 H\n0.591453 0.000674 0.101663 H\n0.492344 0.604795 0.808000 H\n0.292770 0.703622 0.660622 H\n0.836889 0.982199 0.228824 H\n0.672379 0.522557 0.019070 H\n0.036783 0.818206 0.527888 H\n0.602262 0.864541 0.445495 H\n0.102262 0.135459 0.054505 H\n0.200970 0.823149 0.603859 H\n0.336889 0.017801 0.271176 H\n0.541721 0.680428 0.913678 H\n0.091453 0.999326 0.398337 H\n0.301760 0.186783 0.096001 H\n0.231646 0.111075 0.246864 H\n0.506504 0.827853 0.733629 H\n0.992015 0.182330 0.161920 H\n0.683266 0.988507 0.459739 H\n0.581942 0.983311 0.530958 H\n0.917581 0.267432 0.024943 H\n0.082419 0.732568 0.975057 H\n0.418058 0.016689 0.469042 H\n0.316734 0.011493 0.540261 H\n0.007985 0.817670 0.838080 H\n0.493496 0.172147 0.266371 H\n0.768354 0.888925 0.753136 H\n0.698240 0.813217 0.903999 H\n0.908547 0.000674 0.601663 H\n0.458279 0.319572 0.086322 H\n0.663111 0.982199 0.728824 H\n0.799030 0.176851 0.396141 H\n0.897738 0.864541 0.945495 H\n0.397738 0.135459 0.554505 H\n0.963217 0.181794 0.472112 H\n0.327621 0.477443 0.980931 H\n0.163111 0.017801 0.771176 H\n0.707230 0.296378 0.339378 H\n0.507656 0.395205 0.192000 H\n0.408547 0.999326 0.898337 H\n0.837251 0.421419 0.198563 H\n0.198240 0.186783 0.596001 H\n0.268354 0.111075 0.746864 H\n0.507985 0.182330 0.661920 H\n0.816734 0.988507 0.959739 H\n0.582419 0.267432 0.524943 H\n0.248554 0.548514 0.057311 H\n0.945731 0.468016 0.212383 H\n0.890182 0.585826 0.041990 H\n0.006504 0.172147 0.766371 H\n0.354905 0.628595 0.027928 H\n0.854905 0.371405 0.472072 H\n0.390182 0.414174 0.458010 H\n0.041721 0.319572 0.586322 H\n0.445731 0.531984 0.287617 H\n0.748554 0.451486 0.442689 H\n0.337251 0.578581 0.301437 H\n0.172379 0.477443 0.480931 H\n0.007656 0.604795 0.308000 H\n0.207230 0.703622 0.160622 H\n0.463217 0.818206 0.027888 H\n0.299030 0.823149 0.103859 H\n0.918058 0.983311 0.030958 H\n0.128534 0.096137 0.982290 N\n0.183193 0.513701 0.561680 N\n0.964313 0.702713 0.301806 N\n0.615990 0.525276 0.661483 N\n0.115990 0.474724 0.838517 N\n0.799216 0.863800 0.285071 N\n0.683193 0.486299 0.938320 N\n0.535687 0.702713 0.801806 N\n0.628534 0.903863 0.517710 N\n0.299216 0.136200 0.214929 N\n0.700784 0.863800 0.785071 N\n0.371466 0.096137 0.482290 N\n0.464313 0.297287 0.198194 N\n0.316807 0.513701 0.061680 N\n0.200784 0.136200 0.714929 N\n0.884010 0.525276 0.161483 N\n0.384010 0.474724 0.338517 N\n0.035687 0.297287 0.698194 N\n0.816807 0.486299 0.438320 N\n0.871466 0.903863 0.017710 N\n0.753009 0.214826 0.822203 O\n0.279207 0.307353 0.861567 O\n0.446628 0.354355 0.887873 O\n0.364777 0.559162 0.627714 O\n0.601345 0.774436 0.279054 O\n0.864777 0.440838 0.872286 O\n0.946628 0.645645 0.612127 O\n0.779207 0.692647 0.638433 O\n0.442689 0.850370 0.386654 O\n0.598098 0.129180 0.013425 O\n0.098098 0.870820 0.486575 O\n0.253009 0.785174 0.677797 O\n0.942689 0.149630 0.113346 O\n0.898655 0.774436 0.779054 O\n0.101345 0.225564 0.220946 O\n0.057311 0.850370 0.886654 O\n0.746991 0.214826 0.322203 O\n0.901902 0.129180 0.513425 O\n0.401902 0.870820 0.986575 O\n0.557311 0.149630 0.613346 O\n0.220793 0.307353 0.361567 O\n0.053372 0.354355 0.387873 O\n0.135223 0.559162 0.127714 O\n0.398655 0.225564 0.720946 O\n0.635223 0.440838 0.372286 O\n0.553372 0.645645 0.112127 O\n0.720793 0.692647 0.138433 O\n0.246991 0.785174 0.177797 O\n",
"nsites": 140,
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],
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"density_atomic": 0.12946931113813856,
"volume": 1081.337336001005,
"volume_molar": 4.6514040331724775,
"formula_full": "Co4 P4 H84 N20 O28",
"formula_reduced": "CoPH21N5O7",
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"updated_at": "2021-11-28T01:36:14.592000Z",
"spacegroup": 14
},
{
"id": "mp-11917",
"created_at": "2022-09-04T14:46:29.523039Z",
"structure_string": "Mg1 Be2 N2\n1.0\n1.478215 -2.560344 0.000000\n1.478215 2.560344 0.000000\n0.000000 0.000000 5.100493\nMg Be N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.372016 Be\n0.333333 0.666667 0.627984 Be\n0.666667 0.333333 0.721838 N\n0.333333 0.666667 0.278162 N\n",
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{
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