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{
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"results": [
{
"id": "mp-559957",
"created_at": "2022-09-04T14:42:25.663159Z",
"structure_string": "Sr4 Ti4 Ge4 O20\n1.0\n9.166860 0.000000 0.000000\n0.000000 6.896233 0.000000\n0.000000 2.984853 6.715300\nSr Ti Ge O\n4 4 4 20\ndirect\n0.921630 0.250030 0.257493 Sr\n0.578370 0.250030 0.757493 Sr\n0.078370 0.749970 0.742507 Sr\n0.421630 0.749970 0.242507 Sr\n0.245871 0.253291 0.014295 Ti\n0.254129 0.253291 0.514295 Ti\n0.745871 0.746709 0.485705 Ti\n0.754129 0.746709 0.985705 Ti\n0.563581 0.247454 0.253611 Ge\n0.436419 0.752546 0.746389 Ge\n0.063581 0.752546 0.246389 Ge\n0.936419 0.247454 0.753611 Ge\n0.814710 0.440561 0.588315 O\n0.542244 0.652521 0.600765 O\n0.314710 0.559439 0.911685 O\n0.683950 0.049987 0.415673 O\n0.183950 0.950013 0.084327 O\n0.308315 0.255094 0.748030 O\n0.808315 0.744906 0.751970 O\n0.042244 0.347479 0.899235 O\n0.957756 0.652521 0.100765 O\n0.185290 0.559439 0.411685 O\n0.191685 0.255094 0.248030 O\n0.454049 0.153553 0.105892 O\n0.816050 0.049987 0.915673 O\n0.954049 0.846447 0.394108 O\n0.457756 0.347479 0.399235 O\n0.691685 0.744906 0.251970 O\n0.045951 0.153553 0.605892 O\n0.316050 0.950013 0.584327 O\n0.545951 0.846447 0.894108 O\n0.685290 0.440561 0.088315 O\n",
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},
{
"id": "mp-25455",
"created_at": "2022-09-04T14:41:24.994580Z",
"structure_string": "Li8 Cr4 P4 C4 O28\n1.0\n-5.020285 6.389122 -0.137933\n-5.020277 -6.389116 -0.137936\n-4.716277 0.000005 8.333923\nLi Cr P C O\n8 4 4 4 28\ndirect\n0.726264 0.724808 0.774147 Li\n0.226265 0.224808 0.774147 Li\n0.773735 0.775191 0.225854 Li\n0.273734 0.275191 0.225854 Li\n0.525192 0.023735 0.225853 Li\n0.025191 0.523734 0.225854 Li\n0.974807 0.476263 0.774148 Li\n0.474809 0.976265 0.774146 Li\n0.307850 0.557849 0.343610 Cr\n0.192150 0.942150 0.656391 Cr\n0.807854 0.057856 0.343624 Cr\n0.692143 0.442142 0.656377 Cr\n0.054123 0.804123 0.419300 P\n0.554123 0.304124 0.419300 P\n0.445877 0.695878 0.580700 P\n0.945877 0.195877 0.580700 P\n0.482237 0.732237 0.058515 C\n0.982237 0.232237 0.058515 C\n0.017764 0.767764 0.941485 C\n0.517764 0.267764 0.941485 C\n0.334312 0.584312 0.119588 O\n0.834313 0.084315 0.119584 O\n0.165688 0.915689 0.880412 O\n0.665688 0.415686 0.880416 O\n0.971992 0.721992 0.832127 O\n0.471991 0.221991 0.832129 O\n0.528008 0.778008 0.167872 O\n0.028009 0.278009 0.167871 O\n0.584926 0.834926 0.412847 O\n0.084928 0.334929 0.412846 O\n0.915074 0.665074 0.587153 O\n0.415072 0.165072 0.587154 O\n0.198165 0.948163 0.441828 O\n0.698164 0.448163 0.441827 O\n0.301835 0.551838 0.558172 O\n0.801836 0.051838 0.558173 O\n0.070782 0.320782 0.912354 O\n0.570783 0.820783 0.912353 O\n0.429219 0.179219 0.087646 O\n0.929218 0.679218 0.087647 O\n0.545473 0.603540 0.676236 O\n0.045474 0.103540 0.676235 O\n0.353539 0.795474 0.676235 O\n0.853539 0.295472 0.676237 O\n0.146462 0.704526 0.323765 O\n0.646462 0.204528 0.323763 O\n0.954527 0.896462 0.323764 O\n0.454526 0.396461 0.323765 O\n",
"nsites": 48,
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"elements": [
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],
"chemical_system": "C-Cr-Li-O-P",
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"density_atomic": 0.08840808643318752,
"volume": 542.9367599340017,
"volume_molar": 6.811753316876846,
"formula_full": "Li8 Cr4 P4 C4 O28",
"formula_reduced": "Li2CrPCO7",
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"updated_at": "2021-11-28T01:35:18.288000Z",
"spacegroup": 11
},
{
"id": "mp-1523329",
"created_at": "2022-09-04T14:42:19.513756Z",
"structure_string": "Sr1 Ca1 Dy1 Nb1 O6\n1.0\n0.000000 -4.202370 -4.202370\n4.202370 0.000000 -4.202370\n4.202370 -4.202370 0.000000\nSr Ca Dy Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.738134 0.261866 0.261866 O\n0.261866 0.738134 0.738134 O\n0.738134 0.261866 0.738134 O\n0.261866 0.738134 0.261866 O\n0.738134 0.738134 0.261866 O\n0.261866 0.261866 0.738134 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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],
"chemical_system": "Ca-Dy-Nb-O-Sr",
"density": 5.359979360302005,
"density_atomic": 0.06737319482048895,
"volume": 148.42698237250414,
"volume_molar": 8.938481804292588,
"formula_full": "Sr1 Ca1 Dy1 Nb1 O6",
"formula_reduced": "SrCaDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.47998473,
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"updated_at": "2021-11-28T01:35:36.394000Z",
"spacegroup": 216
},
{
"id": "mp-24411",
"created_at": "2022-09-04T14:48:18.039352Z",
"structure_string": "K2 Li1 Al1 H6\n1.0\n0.000000 3.909080 3.909080\n3.909080 0.000000 3.909080\n3.909080 3.909080 0.000000\nK Li Al H\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.771123 0.228877 0.228877 H\n0.771123 0.228877 0.771123 H\n0.228877 0.771123 0.771123 H\n0.228877 0.771123 0.228877 H\n0.228877 0.228877 0.771123 H\n0.771123 0.771123 0.228877 H\n",
"nsites": 10,
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"elements": [
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"Al",
"H"
],
"chemical_system": "Al-H-K-Li",
"density": 1.6424449518840165,
"density_atomic": 0.08370402249600721,
"volume": 119.46857154298662,
"volume_molar": 7.194565542279959,
"formula_full": "K2 Li1 Al1 H6",
"formula_reduced": "K2LiAlH6",
"formula_anonymous": "ABC2D6",
"energy": -31.905122050000003,
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"updated_at": "2021-11-28T01:39:05.060000Z",
"spacegroup": 225
},
{
"id": "mp-556627",
"created_at": "2022-09-04T14:41:52.546899Z",
"structure_string": "K32 Ge8 S32\n1.0\n12.925724 0.000000 0.000000\n0.000000 12.925724 0.000000\n0.000000 0.000000 12.925724\nK Ge S\n32 8 32\ndirect\n0.365568 0.150797 0.413949 K\n0.150797 0.586051 0.634432 K\n0.913949 0.349203 0.134432 K\n0.652070 0.652070 0.652070 K\n0.152070 0.847930 0.847930 K\n0.634432 0.849203 0.413949 K\n0.865568 0.086051 0.349203 K\n0.413949 0.365568 0.150797 K\n0.849203 0.586051 0.365568 K\n0.650797 0.134432 0.086051 K\n0.847930 0.152070 0.847930 K\n0.849203 0.413949 0.634432 K\n0.652070 0.347930 0.347930 K\n0.650797 0.865568 0.913949 K\n0.134432 0.086051 0.650797 K\n0.150797 0.413949 0.365568 K\n0.152070 0.152070 0.152070 K\n0.347930 0.347930 0.652070 K\n0.634432 0.150797 0.586051 K\n0.349203 0.865568 0.086051 K\n0.349203 0.134432 0.913949 K\n0.086051 0.349203 0.865568 K\n0.413949 0.634432 0.849203 K\n0.365568 0.849203 0.586051 K\n0.134432 0.913949 0.349203 K\n0.865568 0.913949 0.650797 K\n0.347930 0.652070 0.347930 K\n0.913949 0.650797 0.865568 K\n0.586051 0.365568 0.849203 K\n0.086051 0.650797 0.134432 K\n0.586051 0.634432 0.150797 K\n0.847930 0.847930 0.152070 K\n0.000000 0.750000 0.500000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.250000 0.500000 0.000000 Ge\n0.000000 0.250000 0.500000 Ge\n0.750000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.844893 0.595691 0.110095 S\n0.899811 0.100189 0.100189 S\n0.389905 0.095691 0.655107 S\n0.655107 0.389905 0.095691 S\n0.899811 0.899811 0.899811 S\n0.600189 0.399811 0.600189 S\n0.344893 0.610095 0.095691 S\n0.110095 0.155107 0.404309 S\n0.095691 0.655107 0.389905 S\n0.344893 0.389905 0.904309 S\n0.889905 0.844893 0.404309 S\n0.110095 0.844893 0.595691 S\n0.595691 0.889905 0.155107 S\n0.610095 0.904309 0.655107 S\n0.155107 0.404309 0.110095 S\n0.904309 0.344893 0.389905 S\n0.610095 0.095691 0.344893 S\n0.404309 0.110095 0.155107 S\n0.399811 0.399811 0.399811 S\n0.595691 0.110095 0.844893 S\n0.889905 0.155107 0.595691 S\n0.399811 0.600189 0.600189 S\n0.655107 0.610095 0.904309 S\n0.100189 0.899811 0.100189 S\n0.904309 0.655107 0.610095 S\n0.100189 0.100189 0.899811 S\n0.844893 0.404309 0.889905 S\n0.389905 0.904309 0.344893 S\n0.095691 0.344893 0.610095 S\n0.404309 0.889905 0.844893 S\n0.155107 0.595691 0.889905 S\n0.600189 0.600189 0.399811 S\n",
"nsites": 72,
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"elements": [
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],
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"formula_full": "K32 Ge8 S32",
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"updated_at": "2021-11-28T01:35:36.536000Z",
"spacegroup": 218
},
{
"id": "mp-771843",
"created_at": "2022-09-04T14:46:02.986315Z",
"structure_string": "Mn6 P4 O16\n1.0\n0.000013 4.955710 0.000005\n-0.121528 0.000010 10.715027\n6.258443 0.000016 0.036010\nMn P O\n6 4 16\ndirect\n0.000400 0.000073 0.500621 Mn\n0.988805 0.282559 0.234434 Mn\n0.011077 0.717378 0.765547 Mn\n0.499599 0.499972 0.499660 Mn\n0.511177 0.782616 0.234439 Mn\n0.488895 0.217422 0.765523 Mn\n0.068651 0.601170 0.261608 P\n0.431367 0.101142 0.261647 P\n0.568730 0.898824 0.738348 P\n0.931292 0.398855 0.738313 P\n0.174465 0.680920 0.073227 O\n0.325584 0.180897 0.073272 O\n0.674477 0.819076 0.926740 O\n0.825562 0.319093 0.926709 O\n0.324171 0.964939 0.253422 O\n0.175794 0.464962 0.253333 O\n0.824106 0.535068 0.746554 O\n0.675844 0.035045 0.746636 O\n0.758388 0.607801 0.280253 O\n0.741637 0.107770 0.280353 O\n0.258487 0.892182 0.719764 O\n0.241520 0.392211 0.719672 O\n0.217116 0.660822 0.463950 O\n0.282874 0.160801 0.464006 O\n0.717205 0.839193 0.536009 O\n0.782775 0.339208 0.535959 O\n",
"nsites": 26,
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"formula_full": "Mn6 P4 O16",
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"energy": -221.97846098,
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"updated_at": "2021-11-28T01:37:16.151000Z",
"spacegroup": 14
},
{
"id": "mp-23519",
"created_at": "2022-09-04T14:47:43.412672Z",
"structure_string": "Ga8 Bi4 O18\n1.0\n6.004868 0.000000 0.000000\n0.000000 8.039258 0.000000\n0.000000 0.000000 8.444552\nGa Bi O\n8 4 18\ndirect\n0.500000 0.148558 0.662303 Ga\n0.500000 0.851442 0.337697 Ga\n0.500000 0.648558 0.837697 Ga\n0.500000 0.351442 0.162303 Ga\n0.258661 0.500000 0.500000 Ga\n0.741339 0.000000 0.000000 Ga\n0.741339 0.500000 0.500000 Ga\n0.258661 0.000000 0.000000 Ga\n0.000000 0.323230 0.826634 Bi\n0.000000 0.676770 0.173366 Bi\n0.000000 0.823230 0.673366 Bi\n0.000000 0.176770 0.326634 Bi\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.243566 0.873112 0.209520 O\n0.243566 0.126888 0.790480 O\n0.756434 0.373112 0.290480 O\n0.756434 0.626888 0.709520 O\n0.756434 0.126888 0.790480 O\n0.756434 0.873112 0.209520 O\n0.243566 0.626888 0.709520 O\n0.243566 0.373112 0.290480 O\n0.500000 0.367467 0.591561 O\n0.500000 0.632533 0.408439 O\n0.000000 0.149703 0.064462 O\n0.000000 0.850297 0.935538 O\n0.000000 0.649703 0.435538 O\n0.000000 0.350297 0.564462 O\n0.500000 0.132533 0.091561 O\n0.500000 0.867467 0.908439 O\n",
"nsites": 30,
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"volume": 407.6580717885547,
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"formula_full": "Ga8 Bi4 O18",
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},
{
"id": "mp-557209",
"created_at": "2022-09-04T14:40:41.537232Z",
"structure_string": "Ni4 Bi4 As4 O20\n1.0\n5.090795 -0.011735 -1.566033\n3.591392 6.178763 2.887390\n1.501200 -6.173938 9.410456\nNi Bi As O\n4 4 4 20\ndirect\n0.781052 0.051135 0.686119 Ni\n0.218694 0.948690 0.313811 Ni\n0.281125 0.551249 0.186000 Ni\n0.719049 0.448723 0.814054 Ni\n0.801419 0.599974 0.364708 Bi\n0.301488 0.100008 0.864692 Bi\n0.198598 0.400035 0.635301 Bi\n0.698465 0.900034 0.135303 Bi\n0.130955 0.711602 0.898577 As\n0.630893 0.211576 0.398577 As\n0.869075 0.288419 0.101437 As\n0.369106 0.788414 0.601415 As\n0.498594 0.271867 0.774942 O\n0.998535 0.771819 0.274897 O\n0.501424 0.728137 0.225062 O\n0.001431 0.228162 0.725096 O\n0.956294 0.311226 0.962557 O\n0.456275 0.811274 0.462525 O\n0.043744 0.688802 0.037461 O\n0.543736 0.188758 0.537476 O\n0.006978 0.573837 0.799049 O\n0.506919 0.073821 0.299018 O\n0.993038 0.426198 0.200957 O\n0.493043 0.926178 0.700983 O\n0.522587 0.559856 0.643134 O\n0.022522 0.059835 0.143103 O\n0.477451 0.440163 0.356875 O\n0.977481 0.940179 0.856887 O\n0.531907 0.333640 0.096082 O\n0.031943 0.833657 0.596105 O\n0.468119 0.666395 0.903921 O\n0.968062 0.166337 0.403875 O\n",
"nsites": 32,
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"elements": [
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"As",
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],
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"volume": 436.35082549487197,
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