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{
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"results": [
{
"id": "mp-1174684",
"created_at": "2022-09-04T14:44:22.765688Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.987411 0.000000 0.000000\n1.286236 5.828935 0.000000\n0.533409 0.038402 8.688577\nLi Mn Co O\n8 2 4 14\ndirect\n0.569048 0.361650 0.847703 Li\n0.146277 0.205863 0.705126 Li\n0.996239 0.508617 0.003161 Li\n0.430745 0.640191 0.144808 Li\n0.711046 0.072408 0.571363 Li\n0.290025 0.925749 0.430647 Li\n0.854850 0.780988 0.295240 Li\n0.708497 0.573659 0.570851 Li\n0.000645 0.000237 0.000972 Mn\n0.577935 0.850081 0.852977 Mn\n0.142086 0.708706 0.708711 Co\n0.283451 0.441173 0.433739 Co\n0.855755 0.290028 0.289129 Co\n0.433615 0.141515 0.145255 Co\n0.841159 0.039869 0.799365 O\n0.421604 0.885674 0.658561 O\n0.310048 0.143457 0.934852 O\n0.705239 0.313662 0.087857 O\n0.014820 0.743783 0.513861 O\n0.537105 0.593965 0.363368 O\n0.126614 0.456155 0.226422 O\n0.300678 0.677929 0.910479 O\n0.843814 0.576866 0.790670 O\n0.724461 0.822939 0.058726 O\n0.161446 0.973235 0.200686 O\n0.410465 0.392867 0.628772 O\n0.019163 0.262203 0.481583 O\n0.583168 0.116531 0.345114 O\n",
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{
"id": "mp-1197369",
"created_at": "2022-09-04T14:44:22.757393Z",
"structure_string": "K32 Na18 Tl36 Cd6\n1.0\n5.724814 -9.915669 0.000000\n5.724814 9.915669 0.000000\n0.000000 0.000000 30.151413\nK Na Tl Cd\n32 18 36 6\ndirect\n0.129474 0.870526 0.941338 K\n0.129474 0.258947 0.941338 K\n0.741053 0.870526 0.941338 K\n0.870526 0.129474 0.058662 K\n0.870526 0.741053 0.058662 K\n0.258947 0.129474 0.058662 K\n0.870526 0.129474 0.441338 K\n0.870526 0.741053 0.441338 K\n0.258947 0.129474 0.441338 K\n0.129474 0.870526 0.558662 K\n0.129474 0.258947 0.558662 K\n0.741053 0.870526 0.558662 K\n0.455338 0.544662 0.250000 K\n0.455338 0.910676 0.250000 K\n0.089324 0.544662 0.250000 K\n0.544662 0.455338 0.750000 K\n0.544662 0.089324 0.750000 K\n0.910676 0.455338 0.750000 K\n0.463138 0.536862 0.875442 K\n0.463138 0.926277 0.875442 K\n0.073723 0.536862 0.875442 K\n0.536862 0.463138 0.124558 K\n0.536862 0.073723 0.124558 K\n0.926277 0.463138 0.124558 K\n0.536862 0.463138 0.375442 K\n0.536862 0.073723 0.375442 K\n0.926277 0.463138 0.375442 K\n0.463138 0.536862 0.624558 K\n0.463138 0.926277 0.624558 K\n0.073723 0.536862 0.624558 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.163832 0.836168 0.152681 Na\n0.163832 0.327664 0.152681 Na\n0.672336 0.836168 0.152681 Na\n0.836168 0.163832 0.847319 Na\n0.836168 0.672336 0.847319 Na\n0.327664 0.163832 0.847319 Na\n0.836168 0.163832 0.652681 Na\n0.836168 0.672336 0.652681 Na\n0.327664 0.163832 0.652681 Na\n0.163832 0.836168 0.347319 Na\n0.163832 0.327664 0.347319 Na\n0.672336 0.836168 0.347319 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.233535 0.766465 0.054745 Tl\n0.233535 0.467069 0.054745 Tl\n0.532931 0.766465 0.054745 Tl\n0.766465 0.233535 0.945255 Tl\n0.766465 0.532931 0.945255 Tl\n0.467069 0.233535 0.945255 Tl\n0.766465 0.233535 0.554745 Tl\n0.766465 0.532931 0.554745 Tl\n0.467069 0.233535 0.554745 Tl\n0.233535 0.766465 0.445255 Tl\n0.233535 0.467069 0.445255 Tl\n0.532931 0.766465 0.445255 Tl\n0.333333 0.666667 0.969489 Tl\n0.666667 0.333333 0.030511 Tl\n0.666667 0.333333 0.469489 Tl\n0.333333 0.666667 0.530511 Tl\n0.333333 0.666667 0.140228 Tl\n0.666667 0.333333 0.859772 Tl\n0.666667 0.333333 0.640228 Tl\n0.333333 0.666667 0.359772 Tl\n0.000000 0.000000 0.840089 Tl\n0.000000 0.000000 0.159911 Tl\n0.000000 0.000000 0.340089 Tl\n0.000000 0.000000 0.659911 Tl\n0.157515 0.842485 0.803152 Tl\n0.157515 0.315029 0.803152 Tl\n0.684971 0.842485 0.803152 Tl\n0.842485 0.157515 0.196848 Tl\n0.842485 0.684971 0.196848 Tl\n0.315029 0.157515 0.196848 Tl\n0.842485 0.157515 0.303152 Tl\n0.842485 0.684971 0.303152 Tl\n0.315029 0.157515 0.303152 Tl\n0.157515 0.842485 0.696848 Tl\n0.157515 0.315029 0.696848 Tl\n0.684971 0.842485 0.696848 Tl\n0.102603 0.897397 0.250000 Cd\n0.102603 0.205206 0.250000 Cd\n0.794794 0.897397 0.250000 Cd\n0.897397 0.102603 0.750000 Cd\n0.897397 0.794794 0.750000 Cd\n0.205206 0.102603 0.750000 Cd\n",
"nsites": 92,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-K-Na-Tl",
"density": 4.7040893124045455,
"density_atomic": 0.02687613168241876,
"volume": 3423.111669756498,
"volume_molar": 22.4070220787742,
"formula_full": "K32 Na18 Tl36 Cd6",
"formula_reduced": "K16Na9(Tl6Cd)3",
"formula_anonymous": "A3B9C16D18",
"energy": -161.52939465,
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"updated_at": "2021-11-28T01:36:28.613000Z",
"spacegroup": 194
},
{
"id": "mp-761142",
"created_at": "2022-09-04T14:44:22.758442Z",
"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.109637 0.000000 0.000000\n0.839710 5.069003 0.000000\n2.491186 2.101464 7.010619\nLi Ti Co O\n5 2 3 10\ndirect\n0.222913 0.502701 0.594974 Li\n0.428028 0.488761 0.200560 Li\n0.497761 0.000039 0.498246 Li\n0.784183 0.512180 0.402633 Li\n0.590086 0.504348 0.794236 Li\n0.103847 0.992944 0.303692 Ti\n0.885567 0.016543 0.696038 Ti\n0.007161 0.502529 0.995405 Co\n0.301947 0.997414 0.894042 Co\n0.697007 0.003400 0.099476 Co\n0.019768 0.776669 0.153841 O\n0.130009 0.227531 0.455349 O\n0.355250 0.230702 0.062503 O\n0.230560 0.757652 0.751906 O\n0.441752 0.777531 0.327191 O\n0.570880 0.240452 0.650194 O\n0.772823 0.231244 0.234129 O\n0.663633 0.772736 0.947876 O\n0.869416 0.777666 0.543784 O\n0.935615 0.228136 0.859048 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Co-Li-O-Ti",
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"density_atomic": 0.11014404808235762,
"volume": 181.58039719990563,
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"formula_full": "Li5 Ti2 Co3 O10",
"formula_reduced": "Li5Ti2Co3O10",
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"energy": -143.31081325,
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"updated_at": "2021-11-28T01:36:42.412000Z",
"spacegroup": 1
},
{
"id": "mp-1076928",
"created_at": "2022-09-04T14:44:22.779779Z",
"structure_string": "Cs1 Eu1 S2\n1.0\n8.123498 -2.130618 0.000000\n8.123498 2.130618 0.000000\n7.564683 0.000000 3.647783\nCs Eu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Eu\n0.772139 0.772139 0.772139 S\n0.227861 0.227861 0.227861 S\n",
"nsites": 4,
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"elements": [
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"volume": 126.27217476378934,
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"formula_full": "Cs1 Eu1 S2",
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"updated_at": "2021-11-28T01:36:32.926000Z",
"spacegroup": 166
},
{
"id": "mp-1232299",
"created_at": "2022-09-04T14:44:22.786988Z",
"structure_string": "Mg2 In2 S6\n1.0\n5.903285 3.393720 0.000000\n-5.903285 3.393720 0.000000\n0.000000 3.237509 5.655071\nMg In S\n2 2 6\ndirect\n0.670342 0.329658 0.000000 Mg\n0.329658 0.670342 0.000000 Mg\n0.841861 0.841861 0.345025 In\n0.158139 0.158139 0.654975 In\n0.520684 0.873277 0.260727 S\n0.479316 0.126723 0.739273 S\n0.126723 0.479316 0.739273 S\n0.873277 0.520684 0.260727 S\n0.747997 0.747997 0.769893 S\n0.252003 0.252003 0.230107 S\n",
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"In",
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],
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"density_atomic": 0.044132871318047544,
"volume": 226.58847478864658,
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"formula_full": "Mg2 In2 S6",
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"spacegroup": 12
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{
"id": "mp-862691",
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"structure_string": "Al2 Fe1 Co1\n1.0\n0.000000 2.861859 2.861859\n2.861859 0.000000 2.861859\n2.861859 2.861859 0.000000\nAl Fe Co\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n",
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"formula_full": "Al2 Fe1 Co1",
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{
"id": "mp-1175706",
"created_at": "2022-09-04T14:44:22.857001Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.895384 0.097284 0.289825\n-0.288270 5.130737 -0.337187\n0.540439 -0.473684 19.695608\nLi Mn Co O\n9 2 5 16\ndirect\n0.877714 0.385232 0.119153 Li\n0.133220 0.622909 0.371027 Li\n0.375708 0.875979 0.627128 Li\n0.617243 0.124556 0.878071 Li\n0.382757 0.875444 0.121929 Li\n0.624292 0.124021 0.372872 Li\n0.866780 0.377091 0.628973 Li\n0.122286 0.614768 0.880847 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.251313 0.249923 0.249740 Co\n0.748687 0.750077 0.750260 Co\n0.751048 0.749875 0.249248 Co\n0.000000 0.000000 0.500000 Co\n0.248952 0.250125 0.750752 Co\n0.456922 0.168887 0.055806 O\n0.676404 0.431831 0.308886 O\n0.915926 0.685080 0.557228 O\n0.176630 0.927452 0.805552 O\n0.938415 0.717262 0.058177 O\n0.173301 0.929235 0.308821 O\n0.479421 0.180341 0.553730 O\n0.675388 0.430273 0.807083 O\n0.324612 0.569727 0.192917 O\n0.520579 0.819659 0.446270 O\n0.826699 0.070765 0.691179 O\n0.061585 0.282738 0.941823 O\n0.823370 0.072548 0.194448 O\n0.084074 0.314920 0.442772 O\n0.323596 0.568169 0.691114 O\n0.543078 0.831113 0.944194 O\n",
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"volume": 291.89529481900564,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"spacegroup": 2
},
{
"id": "mp-1521264",
"created_at": "2022-09-04T14:44:23.005609Z",
"structure_string": "K1 Pr1 Gd1 Fe1 O6\n1.0\n0.000000 -4.074952 -4.074952\n4.074952 -0.000000 -4.074952\n4.074952 -4.074952 0.000000\nK Pr Gd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Gd\n-0.000000 -0.000000 -0.000000 Fe\n0.769012 0.230988 0.230988 O\n0.230988 0.769012 0.769012 O\n0.769012 0.230988 0.769012 O\n0.230988 0.769012 0.230988 O\n0.769012 0.769012 0.230988 O\n0.230988 0.230988 0.769012 O\n",
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"density": 6.001321860079318,
"density_atomic": 0.07389286611336611,
"volume": 135.33106138633252,
"volume_molar": 8.149827008686952,
"formula_full": "K1 Pr1 Gd1 Fe1 O6",
"formula_reduced": "KPrGdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -82.57495026,
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"spacegroup": 216
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{
"id": "mp-1178699",
"created_at": "2022-09-04T14:44:23.191679Z",
"structure_string": "Zn2 C4 N12 Cl8\n1.0\n7.458199 -0.815257 0.937521\n0.939607 7.364175 0.687495\n0.862988 -0.810909 11.932509\nZn C N Cl\n2 4 12 8\ndirect\n0.958680 0.557071 0.881032 Zn\n0.041320 0.442929 0.118968 Zn\n0.654039 0.281348 0.602066 C\n0.345961 0.718652 0.397934 C\n0.787408 0.215693 0.996652 C\n0.212592 0.784307 0.003348 C\n0.815289 0.241829 0.538554 N\n0.184711 0.758171 0.461446 N\n0.598168 0.463992 0.625141 N\n0.401832 0.536008 0.374859 N\n0.530982 0.160415 0.647727 N\n0.469018 0.839585 0.352273 N\n0.729124 0.188457 0.899629 N\n0.270876 0.811543 0.100371 N\n0.884191 0.354285 0.007224 N\n0.115809 0.645715 0.992776 N\n0.735121 0.080776 0.083682 N\n0.264879 0.919224 0.916318 N\n0.737006 0.753367 0.890330 Cl\n0.262994 0.246633 0.109670 Cl\n0.750300 0.617626 0.569036 Cl\n0.249700 0.382374 0.430964 Cl\n0.103960 0.390879 0.744962 Cl\n0.896040 0.609121 0.255038 Cl\n0.201515 0.900804 0.794133 Cl\n0.798485 0.099196 0.205867 Cl\n",
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