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{
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{
"id": "mp-27475",
"created_at": "2022-09-04T14:41:31.990858Z",
"structure_string": "W2 S2 Cl8\n1.0\n-6.693469 0.000000 0.000000\n-0.345180 -7.970547 0.000000\n2.047207 1.695945 7.942936\nW S Cl\n2 2 8\ndirect\n0.857022 0.237340 0.784474 W\n0.142978 0.762660 0.215526 W\n0.696549 0.001848 0.714290 S\n0.303451 0.998152 0.285710 S\n0.143980 0.672396 0.934203 Cl\n0.856020 0.327604 0.065797 Cl\n0.395263 0.563583 0.268323 Cl\n0.604737 0.436417 0.731677 Cl\n0.057895 0.731972 0.457884 Cl\n0.942105 0.268028 0.542116 Cl\n0.804578 0.836599 0.123305 Cl\n0.195422 0.163401 0.876695 Cl\n",
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{
"id": "mp-28980",
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"structure_string": "K12 Bi4 Se12\n1.0\n9.962618 0.000000 0.000000\n0.000000 9.962618 0.000000\n0.000000 0.000000 9.962618\nK Bi Se\n12 4 12\ndirect\n0.321568 0.321568 0.321568 K\n0.178432 0.678432 0.821568 K\n0.821568 0.178432 0.678432 K\n0.678432 0.821568 0.178432 K\n0.572592 0.572592 0.572592 K\n0.927408 0.427408 0.072592 K\n0.072592 0.927408 0.427408 K\n0.427408 0.072592 0.927408 K\n0.813637 0.813637 0.813637 K\n0.686363 0.186363 0.313637 K\n0.313637 0.686363 0.186363 K\n0.186363 0.313637 0.686363 K\n0.965904 0.534096 0.465904 Bi\n0.465904 0.965904 0.534096 Bi\n0.034096 0.034096 0.034096 Bi\n0.534096 0.465904 0.965904 Bi\n0.776200 0.111204 0.001501 Se\n0.723800 0.888796 0.501501 Se\n0.276200 0.388796 0.998499 Se\n0.111204 0.001501 0.776200 Se\n0.223800 0.611204 0.498499 Se\n0.498499 0.223800 0.611204 Se\n0.611204 0.498499 0.223800 Se\n0.888796 0.501501 0.723800 Se\n0.998499 0.276200 0.388796 Se\n0.388796 0.998499 0.276200 Se\n0.001501 0.776200 0.111204 Se\n0.501501 0.723800 0.888796 Se\n",
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"formula_full": "K12 Bi4 Se12",
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"spacegroup": 198
},
{
"id": "mp-1228359",
"created_at": "2022-09-04T14:39:35.880920Z",
"structure_string": "Ba5 Al3 Cu2\n1.0\n-2.824259 -4.891760 0.000000\n5.648518 0.000000 0.000000\n2.824259 1.630587 12.781524\nBa Al Cu\n5 3 2\ndirect\n0.826700 0.173300 0.480101 Ba\n0.093414 0.906586 0.280241 Ba\n0.999153 0.000847 0.997459 Ba\n0.632768 0.367232 0.898303 Ba\n0.528960 0.471040 0.586880 Ba\n0.078727 0.921273 0.738071 Al\n0.580617 0.921273 0.738071 Al\n0.078727 0.419383 0.738071 Al\n0.190939 0.809061 0.572818 Cu\n0.361395 0.638605 0.084184 Cu\n",
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"density": 4.206592646325186,
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"volume": 353.16877452155376,
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"formula_full": "Ba5 Al3 Cu2",
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},
{
"id": "mp-1228008",
"created_at": "2022-09-04T14:39:48.796674Z",
"structure_string": "Ba1 Bi5\n1.0\n2.453554 4.249679 0.000000\n2.128742 -1.229030 8.764595\n4.401517 -2.541216 0.554196\nBa Bi\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.326920 0.710918 Bi\n0.000000 0.321620 0.280943 Bi\n0.500000 0.673080 0.289082 Bi\n0.000000 0.678380 0.719057 Bi\n0.500000 0.000000 0.500000 Bi\n",
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"volume": 211.9047032020044,
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"formula_full": "Ba1 Bi5",
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"spacegroup": 10
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{
"id": "mp-1188940",
"created_at": "2022-09-04T14:42:42.596602Z",
"structure_string": "Ge4 N4 Cl12\n1.0\n8.590112 0.000000 0.000000\n0.000000 8.552563 0.000000\n0.000000 0.000000 9.615191\nGe N Cl\n4 4 12\ndirect\n0.734341 0.250000 0.359408 Ge\n0.234341 0.250000 0.140592 Ge\n0.265659 0.750000 0.640592 Ge\n0.765659 0.750000 0.859408 Ge\n0.503072 0.250000 0.762215 N\n0.003072 0.250000 0.737785 N\n0.496928 0.750000 0.237785 N\n0.996928 0.750000 0.262215 N\n0.752991 0.044369 0.490436 Cl\n0.252991 0.455631 0.009564 Cl\n0.247009 0.544369 0.509564 Cl\n0.747009 0.955631 0.990436 Cl\n0.247009 0.955631 0.509564 Cl\n0.747009 0.544369 0.990436 Cl\n0.752991 0.455631 0.490436 Cl\n0.252991 0.044369 0.009564 Cl\n0.970460 0.250000 0.232405 Cl\n0.470460 0.250000 0.267595 Cl\n0.029540 0.750000 0.767595 Cl\n0.529540 0.750000 0.732405 Cl\n",
"nsites": 20,
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"elements": [
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"N",
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],
"chemical_system": "Cl-Ge-N",
"density": 1.8147892581434253,
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"volume": 706.4037953461383,
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"formula_full": "Ge4 N4 Cl12",
"formula_reduced": "GeNCl3",
"formula_anonymous": "ABC3",
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},
{
"id": "mp-11124",
"created_at": "2022-09-04T14:41:06.683784Z",
"structure_string": "Cs2 La2 Hg2 Se6\n1.0\n2.244586 -8.160163 0.000000\n2.244586 8.160163 0.000000\n0.000000 0.000000 11.570939\nCs La Hg Se\n2 2 2 6\ndirect\n0.255441 0.744559 0.750000 Cs\n0.744559 0.255441 0.250000 Cs\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.459173 0.540827 0.250000 Hg\n0.540827 0.459173 0.750000 Hg\n0.062548 0.937452 0.250000 Se\n0.937452 0.062548 0.750000 Se\n0.621123 0.378877 0.551511 Se\n0.621123 0.378877 0.948489 Se\n0.378877 0.621123 0.051511 Se\n0.378877 0.621123 0.448489 Se\n",
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],
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"density": 5.5572980315623175,
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"volume": 423.870979501131,
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"formula_full": "Cs2 La2 Hg2 Se6",
"formula_reduced": "CsLaHgSe3",
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"updated_at": "2021-11-28T01:35:11.532000Z",
"spacegroup": 63
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{
"id": "mp-1224032",
"created_at": "2022-09-04T14:47:14.703692Z",
"structure_string": "In2 Cu1 Te3 I1\n1.0\n6.266911 0.005682 -0.010018\n0.005873 6.263478 -0.007505\n3.126944 3.127448 6.290437\nIn Cu Te I\n2 1 3 1\ndirect\n0.254415 0.722724 0.526599 In\n0.981171 0.995014 0.983256 In\n0.518905 0.528563 0.989130 Cu\n0.831030 0.380792 0.744487 Te\n0.411947 0.893767 0.747848 Te\n0.624205 0.583328 0.260670 Te\n0.128327 0.145811 0.248010 I\n",
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],
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"formula_full": "In2 Cu1 Te3 I1",
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"spacegroup": 1
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{
"id": "mp-1183610",
"created_at": "2022-09-04T14:40:26.265881Z",
"structure_string": "Ca2 Sm6\n1.0\n3.706349 -6.419585 0.000000\n3.706349 6.419585 0.000000\n0.000000 0.000000 5.938499\nCa Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.164491 0.328982 0.250000 Sm\n0.671018 0.835509 0.250000 Sm\n0.164491 0.835509 0.250000 Sm\n0.835509 0.671018 0.750000 Sm\n0.328982 0.164491 0.750000 Sm\n0.835509 0.164491 0.750000 Sm\n",
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{
"id": "mp-1111138",
"created_at": "2022-09-04T14:43:21.489464Z",
"structure_string": "K2 Li1 Ce1 Br6\n1.0\n0.000000 5.610663 5.610663\n5.610663 0.000000 5.610663\n5.610663 5.610663 0.000000\nK Li Ce Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.257201 0.257201 0.742799 Br\n0.257201 0.742799 0.742799 Br\n0.742799 0.742799 0.257201 Br\n0.257201 0.742799 0.257201 Br\n0.742799 0.257201 0.742799 Br\n0.742799 0.257201 0.257201 Br\n",
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{
"id": "mp-1187973",
"created_at": "2022-09-04T14:43:07.533997Z",
"structure_string": "Yb3 Mg1\n1.0\n-2.600407 2.600407 5.224207\n2.600407 -2.600407 5.224207\n2.600407 2.600407 -5.224207\nYb Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Yb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "Sr2 Sn2\n1.0\n2.546503 -6.116127 0.000000\n2.546503 6.116127 0.000000\n0.000000 0.000000 4.536562\nSr Sn\n2 2\ndirect\n0.136266 0.863734 0.250000 Sr\n0.863734 0.136266 0.750000 Sr\n0.420409 0.579591 0.250000 Sn\n0.579591 0.420409 0.750000 Sn\n",
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{
"id": "mp-541610",
"created_at": "2022-09-04T14:42:16.930178Z",
"structure_string": "Ge8 Br16\n1.0\n9.207519 0.000000 0.000000\n0.000000 7.101202 0.000000\n0.000000 2.624637 12.967452\nGe Br\n8 16\ndirect\n0.872188 0.278501 0.995791 Ge\n0.372188 0.221499 0.004209 Ge\n0.127812 0.721499 0.004209 Ge\n0.627812 0.778501 0.995791 Ge\n0.659820 0.213294 0.544661 Ge\n0.159820 0.286706 0.455339 Ge\n0.340180 0.786706 0.455339 Ge\n0.840180 0.713294 0.544661 Ge\n0.869836 0.285998 0.651866 Br\n0.369836 0.214002 0.348134 Br\n0.130164 0.714002 0.348134 Br\n0.630164 0.785998 0.651866 Br\n0.664224 0.402977 0.102514 Br\n0.164224 0.097023 0.897486 Br\n0.335776 0.597023 0.897486 Br\n0.835776 0.902977 0.102514 Br\n0.562107 0.165915 0.873868 Br\n0.062107 0.334085 0.126132 Br\n0.437893 0.834085 0.126132 Br\n0.937893 0.665915 0.873868 Br\n0.806476 0.060582 0.415090 Br\n0.306476 0.439418 0.584910 Br\n0.193524 0.939418 0.584910 Br\n0.693524 0.560582 0.415090 Br\n",
"nsites": 24,
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"elements": [
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}
]
}