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{
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"results": [
{
"id": "mp-1028268",
"created_at": "2022-09-04T14:40:59.703154Z",
"structure_string": "Li1 Mg14 Sn1\n1.0\n6.342416 0.013541 0.000000\n-3.159481 5.472381 0.000000\n0.000000 0.000000 10.454199\nLi Mg Sn\n1 14 1\ndirect\n0.166644 0.833322 0.125000 Li\n0.166648 0.333324 0.625000 Mg\n0.166758 0.833379 0.625000 Mg\n0.667025 0.333978 0.125000 Mg\n0.666678 0.333117 0.625000 Mg\n0.667025 0.833046 0.125000 Mg\n0.666678 0.833560 0.625000 Mg\n0.333227 0.166327 0.375156 Mg\n0.333227 0.166327 0.874844 Mg\n0.333227 0.666901 0.375156 Mg\n0.333227 0.666901 0.874844 Mg\n0.832931 0.166466 0.375322 Mg\n0.832931 0.166466 0.874678 Mg\n0.833354 0.666677 0.375395 Mg\n0.833354 0.666677 0.874605 Mg\n0.167067 0.333533 0.125000 Sn\n",
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"spacegroup": 38
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{
"id": "mp-1147768",
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"spacegroup": 123
},
{
"id": "mp-2800",
"created_at": "2022-09-04T14:42:14.399165Z",
"structure_string": "U1 Si3\n1.0\n4.020644 0.000000 0.000000\n0.000000 4.020644 0.000000\n0.000000 0.000000 4.020644\nU Si\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.233848645791042,
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"volume": 64.99603489478324,
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"formula_full": "U1 Si3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:38.040000Z",
"spacegroup": 221
},
{
"id": "mp-1023290",
"created_at": "2022-09-04T14:43:03.420215Z",
"structure_string": "Sr2 Mg12 Al2\n1.0\n5.143999 0.000000 0.000000\n0.000000 6.801702 0.000000\n0.000000 0.000000 11.607907\nSr Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.170028 Sr\n0.500000 0.000000 0.670028 Sr\n0.000000 0.230650 0.076009 Mg\n0.000000 0.769350 0.076009 Mg\n0.000000 0.500000 0.833478 Mg\n0.500000 0.238627 0.918406 Mg\n0.500000 0.761373 0.918406 Mg\n0.500000 0.500000 0.663509 Mg\n0.000000 0.730650 0.576009 Mg\n0.000000 0.269350 0.576009 Mg\n0.000000 0.000000 0.333478 Mg\n0.500000 0.738627 0.418406 Mg\n0.500000 0.261373 0.418406 Mg\n0.500000 0.000000 0.163509 Mg\n0.000000 0.500000 0.344155 Al\n0.000000 0.000000 0.844155 Al\n",
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"density": 2.129610963413074,
"density_atomic": 0.03939558798166153,
"volume": 406.1368498281566,
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"formula_full": "Sr2 Mg12 Al2",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "mp-13920",
"created_at": "2022-09-04T14:41:58.940341Z",
"structure_string": "Ba2 Zn4 Sn4\n1.0\n4.815985 0.000000 0.000000\n0.000000 4.815985 0.000000\n0.000000 0.000000 11.418750\nBa Zn Sn\n2 4 4\ndirect\n0.000000 0.500000 0.758162 Ba\n0.500000 0.000000 0.241838 Ba\n0.000000 0.500000 0.364339 Zn\n0.500000 0.000000 0.635661 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.872561 Sn\n0.000000 0.500000 0.127439 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 10,
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"elements": [
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"volume": 264.84319342156925,
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"formula_full": "Ba2 Zn4 Sn4",
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"updated_at": "2021-11-28T01:35:31.274000Z",
"spacegroup": 129
},
{
"id": "mp-1245869",
"created_at": "2022-09-04T14:43:55.660722Z",
"structure_string": "Sn1 C1 N2\n1.0\n3.903257 0.000020 -0.000017\n1.951647 5.190839 -0.097469\n0.000037 14.900859 3.020549\nSn C N\n1 1 2\ndirect\n0.000000 0.999920 0.000018 Sn\n0.000000 0.999995 0.499993 C\n0.000000 0.999995 0.418393 N\n0.000000 0.999990 0.581597 N\n",
"nsites": 4,
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"density": 3.941843395878049,
"density_atomic": 0.05981912088721322,
"volume": 66.86825116574104,
"volume_molar": 10.067250522378167,
"formula_full": "Sn1 C1 N2",
"formula_reduced": "SnCN2",
"formula_anonymous": "ABC2",
"energy": -29.79649921,
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"updated_at": "2021-11-28T01:36:27.111000Z",
"spacegroup": 166
},
{
"id": "mp-12091",
"created_at": "2022-09-04T14:44:52.292980Z",
"structure_string": "Tl1 Fe2 S2\n1.0\n-1.813012 1.813012 7.264464\n1.813012 -1.813012 7.264464\n1.813012 1.813012 -7.264464\nTl Fe S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.647283 0.647283 0.000000 S\n0.352717 0.352717 0.000000 S\n",
"nsites": 5,
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"elements": [
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"S"
],
"chemical_system": "Fe-S-Tl",
"density": 6.609978623976873,
"density_atomic": 0.05234860100890236,
"volume": 95.51353624807861,
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"formula_full": "Tl1 Fe2 S2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:36:43.560000Z",
"spacegroup": 139
},
{
"id": "mp-1028331",
"created_at": "2022-09-04T14:43:57.488566Z",
"structure_string": "Mg14 Cd1 Ni1\n1.0\n6.290483 0.000000 0.000000\n-3.145242 5.447718 -0.000000\n-0.000000 0.000000 9.872099\nMg Cd Ni\n14 1 1\ndirect\n0.163065 0.831532 0.125000 Mg\n0.166941 0.833470 0.625000 Mg\n0.668468 0.336935 0.125000 Mg\n0.666530 0.333059 0.625000 Mg\n0.668468 0.831532 0.125000 Mg\n0.666530 0.833470 0.625000 Mg\n0.327316 0.172684 0.366479 Mg\n0.327316 0.172684 0.883521 Mg\n0.327316 0.654634 0.366479 Mg\n0.327316 0.654634 0.883521 Mg\n0.845366 0.172684 0.366479 Mg\n0.845366 0.172684 0.883521 Mg\n0.833333 0.666667 0.376676 Mg\n0.833333 0.666667 0.873324 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Ni\n",
"nsites": 16,
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"elements": [
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"Cd",
"Ni"
],
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"density": 2.510036097020063,
"density_atomic": 0.04729463405022866,
"volume": 338.30476377103173,
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"formula_full": "Mg14 Cd1 Ni1",
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"spacegroup": 187
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{
"id": "mp-1227176",
"created_at": "2022-09-04T14:39:58.930555Z",
"structure_string": "Ca1 Eu1 S2\n1.0\n4.116897 0.000000 0.000000\n0.000000 4.116897 0.000000\n0.000000 0.000000 5.832160\nCa Eu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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{
"id": "mp-1246964",
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"structure_string": "Pt1 C1 N2\n1.0\n5.072773 0.069691 0.043881\n3.906584 3.236738 0.043881\n3.906584 1.438504 2.899846\nPt C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n0.589056 0.589056 0.589056 N\n0.410944 0.410944 0.410944 N\n",
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{
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"structure_string": "Fe3 Sn1\n1.0\n3.818521 0.000000 0.000000\n0.000000 3.818521 0.000000\n0.000000 0.000000 3.818521\nFe Sn\n3 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Fe3 Sn1",
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{
"id": "mp-1110912",
"created_at": "2022-09-04T14:40:20.986699Z",
"structure_string": "K2 Ag1 Sb1 Br6\n1.0\n0.000000 5.628720 5.628720\n5.628720 0.000000 5.628720\n5.628720 5.628720 0.000000\nK Ag Sb Br\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 Ag\n0.000000 0.000000 0.000000 Sb\n0.750442 0.249558 0.249558 Br\n0.249558 0.249558 0.750442 Br\n0.249558 0.750442 0.750442 Br\n0.249558 0.750442 0.249558 Br\n0.750442 0.249558 0.750442 Br\n0.750442 0.750442 0.249558 Br\n",
"nsites": 10,
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"elements": [
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"volume": 356.6637171489578,
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"formula_full": "K2 Ag1 Sb1 Br6",
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]
}