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{
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"results": [
{
"id": "mp-18444",
"created_at": "2022-09-04T14:44:27.750731Z",
"structure_string": "Sr6 Cu2 Rh2 O12\n1.0\n4.900821 4.705771 0.000000\n-4.900821 4.705771 0.000000\n0.000000 0.203735 6.728801\nSr Cu Rh O\n6 2 2 12\ndirect\n0.101669 0.898331 0.750000 Sr\n0.898331 0.101669 0.250000 Sr\n0.389094 0.239751 0.374914 Sr\n0.760249 0.610906 0.125086 Sr\n0.610906 0.760249 0.625086 Sr\n0.239751 0.389094 0.874914 Sr\n0.692162 0.307838 0.750000 Cu\n0.307838 0.692162 0.250000 Cu\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.393244 0.716700 0.964973 O\n0.283300 0.606756 0.535027 O\n0.606756 0.283300 0.035027 O\n0.716700 0.393244 0.464973 O\n0.780428 0.925786 0.930858 O\n0.074214 0.219572 0.569142 O\n0.219572 0.074214 0.069142 O\n0.925786 0.780428 0.430858 O\n0.523541 0.891925 0.285583 O\n0.108075 0.476459 0.214417 O\n0.891925 0.523541 0.785583 O\n0.476459 0.108075 0.714417 O\n",
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"spacegroup": 15
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{
"id": "mp-561243",
"created_at": "2022-09-04T14:41:47.837116Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n2.018706 -3.496501 0.000000\n2.018706 3.496501 0.000000\n0.000000 0.000000 27.808492\nSr Cu Cl O\n6 3 3 6\ndirect\n0.327382 0.987189 0.577275 Sr\n0.659807 0.672618 0.243942 Sr\n0.340193 0.012811 0.089391 Sr\n0.672618 0.659807 0.756058 Sr\n0.987189 0.327382 0.422725 Sr\n0.012811 0.340193 0.910609 Sr\n0.000000 0.323831 0.666667 Cu\n0.676169 0.676169 0.000000 Cu\n0.323831 0.000000 0.333333 Cu\n0.000000 0.348307 0.166667 Cl\n0.651693 0.651693 0.500000 Cl\n0.348307 0.000000 0.833333 Cl\n0.993551 0.320012 0.601230 O\n0.679988 0.673539 0.934563 O\n0.320012 0.993551 0.398770 O\n0.006449 0.326461 0.732103 O\n0.673539 0.679988 0.065437 O\n0.326461 0.006449 0.267897 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cl-Cu-O-Sr",
"density": 3.886109050955812,
"density_atomic": 0.04585200596723209,
"volume": 392.56733964624385,
"volume_molar": 13.133865428491161,
"formula_full": "Sr6 Cu3 Cl3 O6",
"formula_reduced": "Sr2CuClO2",
"formula_anonymous": "ABC2D2",
"energy": -102.78233603,
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"updated_at": "2021-11-28T01:35:23.680000Z",
"spacegroup": 152
},
{
"id": "mp-1194841",
"created_at": "2022-09-04T14:41:06.895255Z",
"structure_string": "Sr6 Cu6 H18 Cl6 O18\n1.0\n6.611316 0.000000 0.000000\n0.000000 6.635635 0.000000\n0.000000 0.000000 16.108543\nSr Cu H Cl O\n6 6 18 6 18\ndirect\n0.913282 0.667195 0.000000 Sr\n0.413282 0.332805 0.500000 Sr\n0.558786 0.932634 0.169823 Sr\n0.558786 0.932634 0.830177 Sr\n0.058786 0.067366 0.330177 Sr\n0.058786 0.067366 0.669823 Sr\n0.409836 0.527409 0.000000 Cu\n0.909836 0.472591 0.500000 Cu\n0.080765 0.206896 0.101101 Cu\n0.080765 0.206896 0.898899 Cu\n0.580765 0.793104 0.398899 Cu\n0.580765 0.793104 0.601101 Cu\n0.231735 0.542046 0.137733 H\n0.231735 0.542046 0.862267 H\n0.731735 0.457954 0.362267 H\n0.731735 0.457954 0.637733 H\n0.802730 0.179658 0.000000 H\n0.302730 0.820342 0.500000 H\n0.312633 0.293646 0.211161 H\n0.312633 0.293646 0.788839 H\n0.812633 0.706354 0.288839 H\n0.812633 0.706354 0.711161 H\n0.617209 0.501045 0.127276 H\n0.617209 0.501045 0.872724 H\n0.117209 0.498955 0.372724 H\n0.117209 0.498955 0.627276 H\n0.005341 0.877597 0.160173 H\n0.005341 0.877597 0.839827 H\n0.505341 0.122403 0.339827 H\n0.505341 0.122403 0.660173 H\n0.476604 0.075544 0.000000 Cl\n0.976604 0.924456 0.500000 Cl\n0.734852 0.316490 0.239108 Cl\n0.734852 0.316490 0.760892 Cl\n0.234852 0.683510 0.260892 Cl\n0.234852 0.683510 0.739108 Cl\n0.191973 0.485589 0.083819 O\n0.191973 0.485589 0.916181 O\n0.691973 0.514411 0.416181 O\n0.691973 0.514411 0.583819 O\n0.923906 0.265333 0.000000 O\n0.423906 0.734667 0.500000 O\n0.251145 0.162334 0.199928 O\n0.251145 0.162334 0.800072 O\n0.751145 0.837666 0.300072 O\n0.751145 0.837666 0.699928 O\n0.599658 0.611817 0.087532 O\n0.599658 0.611817 0.912468 O\n0.099658 0.388183 0.412468 O\n0.099658 0.388183 0.587532 O\n0.937489 0.946710 0.114133 O\n0.937489 0.946710 0.885867 O\n0.437489 0.053290 0.385867 O\n0.437489 0.053290 0.614133 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
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"Cl",
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],
"chemical_system": "Cl-Cu-H-O-Sr",
"density": 3.35038788924603,
"density_atomic": 0.07641297251185972,
"volume": 706.6862893158475,
"volume_molar": 7.8810450137446635,
"formula_full": "Sr6 Cu6 H18 Cl6 O18",
"formula_reduced": "SrCuH3ClO3",
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"energy": -288.05992787,
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"updated_at": "2021-11-28T01:35:16.439000Z",
"spacegroup": 31
},
{
"id": "mp-1192969",
"created_at": "2022-09-04T14:39:35.545159Z",
"structure_string": "Sr6 Cu6 O18\n1.0\n0.225562 0.000000 -3.829184\n8.505974 0.000000 0.509510\n0.000000 -10.816168 0.000000\nSr Cu O\n6 6 18\ndirect\n0.999978 0.004652 0.000000 Sr\n0.999799 0.015903 0.500000 Sr\n0.001411 0.313226 0.248085 Sr\n0.001411 0.313226 0.751915 Sr\n0.998596 0.705843 0.252754 Sr\n0.998596 0.705843 0.747246 Sr\n0.501145 0.339263 0.000000 Cu\n0.499594 0.671132 0.000000 Cu\n0.500399 0.349308 0.500000 Cu\n0.499197 0.681142 0.500000 Cu\n0.500008 0.009885 0.250136 Cu\n0.500008 0.009885 0.749864 Cu\n0.500901 0.174242 0.125495 O\n0.500901 0.174242 0.874505 O\n0.500569 0.504451 0.123312 O\n0.500569 0.504451 0.876688 O\n0.499208 0.833639 0.125973 O\n0.499208 0.833639 0.874027 O\n0.500743 0.185289 0.374496 O\n0.500743 0.185289 0.625504 O\n0.499456 0.516037 0.376575 O\n0.499456 0.516037 0.623425 O\n0.499118 0.845615 0.374131 O\n0.499118 0.845615 0.625869 O\n0.999592 0.701090 0.000000 O\n0.000916 0.309881 0.000000 O\n0.000360 0.321708 0.500000 O\n0.999077 0.710284 0.500000 O\n0.999963 0.009591 0.250123 O\n0.999963 0.009591 0.749877 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cu-O-Sr",
"density": 5.612782439880305,
"density_atomic": 0.08485703233788082,
"volume": 353.5358139858937,
"volume_molar": 7.096808118414096,
"formula_full": "Sr6 Cu6 O18",
"formula_reduced": "SrCuO3",
"formula_anonymous": "ABC3",
"energy": -174.89310646,
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"updated_at": "2021-11-28T01:34:39.950000Z",
"spacegroup": 51
},
{
"id": "mp-560776",
"created_at": "2022-09-04T14:40:26.606585Z",
"structure_string": "Sr6 Cu6 P8 O32\n1.0\n2.502996 9.180976 0.000000\n-2.502996 9.180976 0.000000\n0.000000 7.960130 15.517132\nSr Cu P O\n6 6 8 32\ndirect\n0.846716 0.457021 0.363040 Sr\n0.542979 0.153284 0.136960 Sr\n0.287809 0.712191 0.750000 Sr\n0.712191 0.287809 0.250000 Sr\n0.457021 0.846716 0.863040 Sr\n0.153284 0.542979 0.636960 Sr\n0.162963 0.636006 0.969909 Cu\n0.636006 0.162963 0.469909 Cu\n0.363994 0.837037 0.530091 Cu\n0.837037 0.363994 0.030091 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.184762 0.781228 0.101189 P\n0.476549 0.961646 0.619789 P\n0.961646 0.476549 0.119789 P\n0.038354 0.523451 0.880211 P\n0.523451 0.038354 0.380211 P\n0.815238 0.218772 0.898811 P\n0.218772 0.815238 0.398811 P\n0.781228 0.184762 0.601189 P\n0.199097 0.303237 0.404031 O\n0.688368 0.130905 0.577482 O\n0.629482 0.242194 0.969887 O\n0.212586 0.355923 0.046222 O\n0.242194 0.629482 0.469887 O\n0.696763 0.800903 0.095969 O\n0.644077 0.787414 0.453778 O\n0.303237 0.199097 0.904031 O\n0.757806 0.370518 0.530113 O\n0.348686 0.920289 0.622310 O\n0.920289 0.348686 0.122310 O\n0.130905 0.688368 0.077482 O\n0.393671 0.699677 0.312363 O\n0.355923 0.212586 0.546222 O\n0.883947 0.100697 0.113784 O\n0.397774 0.036890 0.705253 O\n0.963110 0.602226 0.794747 O\n0.651314 0.079711 0.377690 O\n0.602226 0.963110 0.294747 O\n0.100697 0.883947 0.613784 O\n0.606329 0.300323 0.687637 O\n0.869095 0.311632 0.922518 O\n0.800903 0.696763 0.595969 O\n0.311632 0.869095 0.422518 O\n0.116053 0.899303 0.886216 O\n0.699677 0.393671 0.812363 O\n0.899303 0.116053 0.386216 O\n0.370518 0.757806 0.030113 O\n0.079711 0.651314 0.877690 O\n0.300323 0.606329 0.187637 O\n0.787414 0.644077 0.953778 O\n0.036890 0.397774 0.205253 O\n",
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"formula_full": "Sr6 Cu6 P8 O32",
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{
"id": "mp-561012",
"created_at": "2022-09-04T14:42:11.175148Z",
"structure_string": "Sr6 Cu6 P8 O32\n1.0\n5.017465 0.000000 0.000000\n0.000000 9.356656 0.000000\n0.000000 8.601952 15.175947\nSr Cu P O\n6 6 8 32\ndirect\n0.534796 0.805870 0.736061 Sr\n0.465204 0.194130 0.263939 Sr\n0.965204 0.805870 0.236061 Sr\n0.000000 0.500000 0.500000 Sr\n0.034796 0.194130 0.763939 Sr\n0.500000 0.500000 0.000000 Sr\n0.036417 0.706139 0.621015 Cu\n0.463583 0.706139 0.121015 Cu\n0.536417 0.293861 0.878985 Cu\n0.963583 0.293861 0.378985 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.520614 0.466935 0.663075 P\n0.979386 0.466935 0.163075 P\n0.020614 0.533065 0.836925 P\n0.009872 0.938708 0.412251 P\n0.990128 0.061292 0.587749 P\n0.509872 0.061292 0.087749 P\n0.490128 0.938708 0.912251 P\n0.479386 0.533065 0.336925 P\n0.308322 0.072120 0.918471 O\n0.214075 0.004012 0.093848 O\n0.560313 0.230332 0.004717 O\n0.020474 0.326431 0.261818 O\n0.439687 0.769668 0.995283 O\n0.979526 0.673569 0.738182 O\n0.824488 0.477186 0.643385 O\n0.924100 0.363767 0.850584 O\n0.914577 0.065223 0.671598 O\n0.136170 0.407221 0.108981 O\n0.285925 0.004012 0.593848 O\n0.714075 0.995988 0.406152 O\n0.636170 0.592779 0.391019 O\n0.939687 0.230332 0.504717 O\n0.520474 0.673569 0.238182 O\n0.691678 0.927880 0.081529 O\n0.424100 0.636233 0.649416 O\n0.060313 0.769668 0.495283 O\n0.175512 0.522814 0.356615 O\n0.785925 0.995988 0.906152 O\n0.585423 0.065223 0.171598 O\n0.479526 0.326431 0.761818 O\n0.863830 0.592779 0.891019 O\n0.675512 0.477186 0.143385 O\n0.414577 0.934777 0.828402 O\n0.808322 0.927880 0.581529 O\n0.075900 0.636233 0.149416 O\n0.324488 0.522814 0.856615 O\n0.363830 0.407221 0.608981 O\n0.575900 0.363767 0.350584 O\n0.085423 0.934777 0.328402 O\n0.191678 0.072120 0.418471 O\n",
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"formula_full": "Sr6 Cu6 P8 O32",
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{
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"created_at": "2022-09-04T14:41:20.489052Z",
"structure_string": "Sr6 Dy2\n1.0\n4.047789 -7.010977 0.000000\n4.047789 7.010977 0.000000\n0.000000 0.000000 6.553654\nSr Dy\n6 2\ndirect\n0.171750 0.343500 0.250000 Sr\n0.656500 0.828250 0.250000 Sr\n0.171750 0.828250 0.250000 Sr\n0.828250 0.656500 0.750000 Sr\n0.343500 0.171750 0.750000 Sr\n0.828250 0.171750 0.750000 Sr\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
"nsites": 8,
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},
{
"id": "mp-18651",
"created_at": "2022-09-04T14:39:49.067022Z",
"structure_string": "Sr6 Dy2 Rh2 O12\n1.0\n4.759025 -4.940887 0.000000\n4.759025 4.940887 0.000000\n-0.370672 0.000000 6.850057\nSr Dy Rh O\n6 2 2 12\ndirect\n0.881256 0.618744 0.250000 Sr\n0.618744 0.250000 0.881256 Sr\n0.250000 0.881256 0.618744 Sr\n0.118744 0.381256 0.750000 Sr\n0.750000 0.118744 0.381256 Sr\n0.381256 0.750000 0.118744 Sr\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.590462 0.792141 0.456369 O\n0.456369 0.590462 0.792141 O\n0.792141 0.456369 0.590462 O\n0.909538 0.043631 0.707859 O\n0.707859 0.909538 0.043631 O\n0.043631 0.707859 0.909538 O\n0.409538 0.207859 0.543631 O\n0.543631 0.409538 0.207859 O\n0.207859 0.543631 0.409538 O\n0.090462 0.956369 0.292141 O\n0.956369 0.292141 0.090462 O\n0.292141 0.090462 0.956369 O\n",
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