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{
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"results": [
{
"id": "mp-762264",
"created_at": "2022-09-04T14:47:21.847178Z",
"structure_string": "Li12 Co6 Si6 O24\n1.0\n2.519990 4.363296 -0.000363\n-7.557208 4.361739 0.002723\n-0.002066 0.001607 11.533604\nLi Co Si O\n12 6 6 24\ndirect\n0.604760 0.276314 0.586069 Li\n0.104960 0.776651 0.585865 Li\n0.282676 0.163722 0.919071 Li\n0.783010 0.664583 0.918994 Li\n0.612518 0.059097 0.252508 Li\n0.112277 0.559432 0.252777 Li\n0.282684 0.836258 0.080846 Li\n0.782959 0.335414 0.080946 Li\n0.612514 0.940881 0.747508 Li\n0.112158 0.440593 0.747262 Li\n0.604839 0.723718 0.413976 Li\n0.105003 0.223357 0.414136 Li\n0.730381 0.729715 0.166219 Co\n0.538696 0.000043 0.500043 Co\n0.730453 0.270132 0.833715 Co\n0.231312 0.230652 0.166388 Co\n0.038031 0.500009 0.500037 Co\n0.231394 0.769285 0.833498 Co\n0.093604 0.093637 0.666671 Si\n0.593510 0.593659 0.666394 Si\n0.093543 0.906448 0.333246 Si\n0.593488 0.406378 0.333535 Si\n0.812971 0.999936 0.000079 Si\n0.312177 0.499956 0.000075 Si\n0.503937 0.354329 0.961900 O\n0.004953 0.854700 0.961344 O\n0.215905 0.074974 0.294679 O\n0.716193 0.574912 0.295063 O\n0.215867 0.925086 0.705271 O\n0.716035 0.425102 0.704958 O\n0.779926 0.070193 0.628112 O\n0.279732 0.570268 0.628048 O\n0.780022 0.929890 0.371943 O\n0.279870 0.429805 0.371995 O\n0.504066 0.645623 0.038115 O\n0.004972 0.145288 0.038631 O\n0.274265 0.159598 0.557735 O\n0.774206 0.659713 0.557562 O\n0.601970 0.283321 0.224525 O\n0.101725 0.783287 0.224244 O\n0.623925 0.057426 0.891036 O\n0.123208 0.557020 0.890912 O\n0.623977 0.942449 0.109048 O\n0.123207 0.442907 0.109159 O\n0.274198 0.840469 0.442179 O\n0.774125 0.340284 0.442376 O\n0.602026 0.716715 0.775486 O\n0.101775 0.216772 0.775755 O\n",
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"O"
],
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"density_atomic": 0.09465869631670361,
"volume": 507.0849469488188,
"volume_molar": 6.361951932922749,
"formula_full": "Li12 Co6 Si6 O24",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -333.70210094,
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"updated_at": "2021-11-28T01:38:03.437000Z",
"spacegroup": 152
},
{
"id": "mp-1223664",
"created_at": "2022-09-04T14:47:24.964300Z",
"structure_string": "K2 H4 Pt1\n1.0\n-2.905036 2.905036 3.906647\n2.905036 -2.905036 3.906647\n2.905036 2.905036 -3.906647\nK H Pt\n2 4 1\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.202963 0.797037 0.000000 H\n0.202963 0.202963 0.405925 H\n0.797037 0.202963 0.000000 H\n0.797037 0.797037 0.594075 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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"elements": [
"K",
"H",
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],
"chemical_system": "H-K-Pt",
"density": 3.4918141855589546,
"density_atomic": 0.05307999101925127,
"volume": 131.87643527409813,
"volume_molar": 11.345406516394974,
"formula_full": "K2 H4 Pt1",
"formula_reduced": "K2H4Pt",
"formula_anonymous": "AB2C4",
"energy": -24.68202005,
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"updated_at": "2021-11-28T01:38:09.354000Z",
"spacegroup": 139
},
{
"id": "mp-676598",
"created_at": "2022-09-04T14:45:39.520269Z",
"structure_string": "Tl8 Pb8 Cl24\n1.0\n0.000000 8.480866 8.633910\n7.874981 0.000000 8.633910\n7.874981 8.480866 0.000000\nTl Pb Cl\n8 8 24\ndirect\n0.525748 0.155390 0.474252 Tl\n0.155390 0.525748 0.844610 Tl\n0.348702 0.649572 0.974915 Tl\n0.025085 0.973189 0.651298 Tl\n0.497350 0.995958 0.004042 Tl\n0.973189 0.025085 0.350428 Tl\n0.649572 0.348702 0.026811 Tl\n0.995958 0.497350 0.502650 Tl\n0.747206 0.747206 0.752794 Pb\n0.865751 0.865751 0.134249 Pb\n0.342160 0.638587 0.361413 Pb\n0.839327 0.492357 0.160673 Pb\n0.638587 0.342160 0.657840 Pb\n0.492357 0.839327 0.507643 Pb\n0.149671 0.149671 0.850329 Pb\n0.247206 0.247206 0.252794 Pb\n0.785221 0.839998 0.438674 Cl\n0.058999 0.699668 0.573242 Cl\n0.313469 0.313469 0.686531 Cl\n0.839998 0.785221 0.936108 Cl\n0.063892 0.561326 0.160002 Cl\n0.197401 0.814708 0.185292 Cl\n0.699668 0.058999 0.668091 Cl\n0.331909 0.426758 0.300332 Cl\n0.111032 0.890085 0.888968 Cl\n0.636600 0.384202 0.363400 Cl\n0.561326 0.063892 0.214779 Cl\n0.426758 0.331909 0.941001 Cl\n0.585784 0.655393 0.065561 Cl\n0.441446 0.919781 0.782165 Cl\n0.890085 0.111032 0.109915 Cl\n0.384202 0.636600 0.615798 Cl\n0.655393 0.585784 0.693262 Cl\n0.306738 0.934439 0.344607 Cl\n0.814708 0.197401 0.802599 Cl\n0.919781 0.441446 0.856608 Cl\n0.143392 0.217835 0.080219 Cl\n0.686666 0.686666 0.313334 Cl\n0.934439 0.306738 0.414216 Cl\n0.217835 0.143392 0.558554 Cl\n",
"nsites": 40,
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"elements": [
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],
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"volume_molar": 17.362735122259906,
"formula_full": "Tl8 Pb8 Cl24",
"formula_reduced": "TlPbCl3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:37:03.509000Z",
"spacegroup": 42
},
{
"id": "mp-8977",
"created_at": "2022-09-04T14:41:56.273515Z",
"structure_string": "Ca8 P4 N12\n1.0\n2.612149 -5.193818 0.000000\n2.612149 5.193818 0.000000\n0.000000 0.000000 11.316953\nCa P N\n8 4 12\ndirect\n0.362355 0.637645 0.074052 Ca\n0.862355 0.137645 0.425948 Ca\n0.137645 0.862355 0.574052 Ca\n0.637645 0.362355 0.925948 Ca\n0.447647 0.552353 0.641992 Ca\n0.552353 0.447647 0.358008 Ca\n0.052353 0.947647 0.141992 Ca\n0.947647 0.052353 0.858008 Ca\n0.755643 0.244357 0.665317 P\n0.744357 0.255643 0.165317 P\n0.244357 0.755643 0.334683 P\n0.255643 0.744357 0.834683 P\n0.961164 0.538836 0.750000 N\n0.538836 0.961164 0.250000 N\n0.038836 0.461164 0.250000 N\n0.461164 0.038836 0.750000 N\n0.411072 0.588928 0.859552 N\n0.588928 0.411072 0.140448 N\n0.088928 0.911072 0.359552 N\n0.660159 0.339841 0.550683 N\n0.160159 0.839841 0.949317 N\n0.839841 0.160159 0.050683 N\n0.339841 0.660159 0.449317 N\n0.911072 0.088928 0.640448 N\n",
"nsites": 24,
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"elements": [
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"P",
"N"
],
"chemical_system": "Ca-N-P",
"density": 3.312695498562285,
"density_atomic": 0.07815685238131492,
"volume": 307.07480238466866,
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"formula_full": "Ca8 P4 N12",
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"formula_anonymous": "AB2C3",
"energy": -168.81599472,
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"updated_at": "2021-11-28T01:35:39.350000Z",
"spacegroup": 64
},
{
"id": "mp-541790",
"created_at": "2022-09-04T14:46:58.373809Z",
"structure_string": "Co4 P8 O24\n1.0\n4.187243 5.965479 0.000000\n-4.187243 5.965479 0.000000\n0.000000 4.825400 8.870080\nCo P O\n4 8 24\ndirect\n0.450536 0.549464 0.250000 Co\n0.549464 0.450536 0.750000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.752197 0.229055 0.477215 P\n0.770945 0.247803 0.022785 P\n0.247803 0.770945 0.522785 P\n0.229055 0.752197 0.977215 P\n0.202527 0.186385 0.304277 P\n0.813615 0.797473 0.195723 P\n0.797473 0.813615 0.695723 P\n0.186385 0.202527 0.804277 P\n0.585683 0.342525 0.407541 O\n0.657475 0.414317 0.092459 O\n0.414317 0.657475 0.592459 O\n0.342525 0.585683 0.907541 O\n0.786840 0.310776 0.581407 O\n0.689224 0.213160 0.918593 O\n0.213160 0.689224 0.418593 O\n0.310776 0.786840 0.081407 O\n0.964618 0.190434 0.346587 O\n0.809566 0.035382 0.153413 O\n0.035382 0.809566 0.653413 O\n0.190434 0.964618 0.846587 O\n0.306304 0.151293 0.154715 O\n0.848707 0.693696 0.345285 O\n0.693696 0.848707 0.845285 O\n0.151293 0.306304 0.654715 O\n0.218531 0.376186 0.324235 O\n0.623814 0.781469 0.175765 O\n0.781469 0.623814 0.675765 O\n0.376186 0.218531 0.824235 O\n0.281145 0.998476 0.435530 O\n0.001524 0.718855 0.064470 O\n0.718855 0.001524 0.564470 O\n0.998476 0.281145 0.935530 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Co-O-P",
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"formula_full": "Co4 P8 O24",
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"spacegroup": 15
},
{
"id": "mp-605047",
"created_at": "2022-09-04T14:42:19.377076Z",
"structure_string": "P8 H24 C20 N8 Cl16 O4\n1.0\n8.430968 0.000000 0.000000\n0.000000 8.844557 0.000000\n0.000000 0.046276 16.288550\nP H C N Cl O\n8 24 20 8 16 4\ndirect\n0.181117 0.243415 0.187855 P\n0.681117 0.756585 0.312145 P\n0.818883 0.756585 0.812145 P\n0.318883 0.243415 0.687855 P\n0.419180 0.290752 0.072278 P\n0.919180 0.709248 0.427722 P\n0.580820 0.709248 0.927722 P\n0.080820 0.290752 0.572278 P\n0.870760 0.178550 0.182972 H\n0.370760 0.821450 0.317028 H\n0.129240 0.821450 0.817028 H\n0.629240 0.178550 0.682972 H\n0.866769 0.066091 0.091851 H\n0.366769 0.933909 0.408149 H\n0.133231 0.933909 0.908149 H\n0.633231 0.066091 0.591851 H\n0.819678 0.263315 0.086753 H\n0.319678 0.736685 0.413247 H\n0.180322 0.736685 0.913247 H\n0.680322 0.263315 0.586753 H\n0.430769 0.305238 0.908207 H\n0.930769 0.694762 0.591793 H\n0.569231 0.694762 0.091793 H\n0.069231 0.305238 0.408207 H\n0.230520 0.359975 0.887474 H\n0.730520 0.640025 0.612526 H\n0.769480 0.640025 0.112526 H\n0.269480 0.359975 0.387474 H\n0.286634 0.165654 0.882587 H\n0.786634 0.834346 0.617413 H\n0.713366 0.834346 0.117413 H\n0.213366 0.165654 0.382587 H\n0.110760 0.219186 0.020706 C\n0.610760 0.780814 0.479294 C\n0.889240 0.780814 0.979294 C\n0.389240 0.219186 0.520706 C\n0.365561 0.136487 0.150486 C\n0.865561 0.863513 0.349514 C\n0.634439 0.863513 0.849514 C\n0.134439 0.136487 0.650486 C\n0.298064 0.413122 0.146351 C\n0.798064 0.586878 0.353649 C\n0.701936 0.586878 0.853649 C\n0.201936 0.413122 0.646351 C\n0.894972 0.178109 0.116797 C\n0.394972 0.821891 0.383203 C\n0.105028 0.821891 0.883203 C\n0.605028 0.178109 0.616797 C\n0.306057 0.272455 0.915262 C\n0.806057 0.727545 0.584738 C\n0.693943 0.727545 0.084738 C\n0.193943 0.272455 0.415262 C\n0.064087 0.213372 0.103005 N\n0.564087 0.786628 0.396995 N\n0.935913 0.786628 0.896995 N\n0.435913 0.213372 0.603005 N\n0.269135 0.255466 0.003328 N\n0.769135 0.744534 0.496672 N\n0.730865 0.744534 0.996672 N\n0.230865 0.255466 0.503328 N\n0.325253 0.956687 0.109476 Cl\n0.825253 0.043313 0.390524 Cl\n0.674747 0.043313 0.890524 Cl\n0.174747 0.956687 0.609476 Cl\n0.510871 0.124848 0.229622 Cl\n0.010871 0.875152 0.270378 Cl\n0.489129 0.875152 0.770378 Cl\n0.989129 0.124848 0.729622 Cl\n0.184252 0.555888 0.099357 Cl\n0.684252 0.444112 0.400643 Cl\n0.815748 0.444112 0.900643 Cl\n0.315748 0.555888 0.599357 Cl\n0.419164 0.491743 0.225155 Cl\n0.919164 0.508257 0.274845 Cl\n0.580836 0.508257 0.774845 Cl\n0.080836 0.491743 0.725155 Cl\n0.015506 0.194705 0.964891 O\n0.515506 0.805295 0.535109 O\n0.984494 0.805295 0.035109 O\n0.484494 0.194705 0.464891 O\n",
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"N",
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"volume": 1214.6074801440475,
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"formula_full": "P8 H24 C20 N8 Cl16 O4",
"formula_reduced": "P2H6C5N2Cl4O",
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},
{
"id": "mp-17159",
"created_at": "2022-09-04T14:43:59.019868Z",
"structure_string": "Li12 Cr6 O24\n1.0\n5.182497 -7.098840 0.000000\n5.182497 7.098840 0.000000\n-4.541298 0.000000 7.525186\nLi Cr O\n12 6 24\ndirect\n0.395883 0.223579 0.622605 Li\n0.622605 0.395883 0.223579 Li\n0.223579 0.622605 0.395883 Li\n0.604117 0.776421 0.377395 Li\n0.377395 0.604117 0.776421 Li\n0.776421 0.377395 0.604117 Li\n0.060979 0.887709 0.294800 Li\n0.294800 0.060979 0.887709 Li\n0.887709 0.294800 0.060979 Li\n0.939021 0.112291 0.705200 Li\n0.705200 0.939021 0.112291 Li\n0.112291 0.705200 0.939021 Li\n0.734331 0.552332 0.959467 Cr\n0.959467 0.734331 0.552332 Cr\n0.552332 0.959467 0.734331 Cr\n0.265669 0.447668 0.040533 Cr\n0.040533 0.265669 0.447668 Cr\n0.447668 0.040533 0.265669 Cr\n0.863968 0.535835 0.857064 O\n0.857064 0.863968 0.535835 O\n0.535835 0.857064 0.863968 O\n0.136032 0.464165 0.142936 O\n0.142936 0.136032 0.464165 O\n0.464165 0.142936 0.136032 O\n0.741420 0.429465 0.070754 O\n0.070754 0.741420 0.429465 O\n0.429465 0.070754 0.741420 O\n0.258580 0.570535 0.929246 O\n0.929246 0.258580 0.570535 O\n0.570535 0.929246 0.258580 O\n0.527038 0.475485 0.807265 O\n0.807265 0.527038 0.475485 O\n0.475485 0.807265 0.527038 O\n0.472962 0.524515 0.192735 O\n0.192735 0.472962 0.524515 O\n0.524515 0.192735 0.472962 O\n0.809997 0.764604 0.100857 O\n0.100857 0.809997 0.764605 O\n0.764604 0.100857 0.809997 O\n0.190003 0.235395 0.899143 O\n0.899143 0.190003 0.235396 O\n0.235396 0.899143 0.190003 O\n",
"nsites": 42,
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{
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