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{
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"results": [
{
"id": "mp-1185717",
"created_at": "2022-09-04T14:46:56.373447Z",
"structure_string": "Mg16 Al12 W1\n1.0\n7.711180 -4.452052 3.148076\n-0.157324 8.449949 2.891168\n-7.396533 -4.088729 2.891168\nMg Al W\n16 12 1\ndirect\n0.991928 0.999999 0.999999 Mg\n0.008665 0.359292 0.000000 Mg\n0.582369 0.280813 0.000000 Mg\n0.318862 0.605431 0.000000 Mg\n0.680625 0.678042 0.277654 Mg\n0.582370 0.000000 0.280813 Mg\n0.002583 0.599611 0.321958 Mg\n0.008665 0.999999 0.359292 Mg\n0.713432 0.394570 0.394570 Mg\n0.402972 0.722348 0.400391 Mg\n0.002582 0.321958 0.599611 Mg\n0.318862 0.000000 0.605430 Mg\n0.649371 0.640706 0.640706 Mg\n0.680625 0.277654 0.678042 Mg\n0.301556 0.719186 0.719187 Mg\n0.402972 0.400390 0.722349 Mg\n0.646666 0.807926 0.999999 Al\n0.813001 0.619109 0.000000 Al\n0.367544 0.363222 0.181889 Al\n0.185654 0.818111 0.181334 Al\n0.838740 0.192073 0.192074 Al\n0.367544 0.181889 0.363222 Al\n0.193891 0.380892 0.380891 Al\n0.813000 0.000001 0.619109 Al\n0.004322 0.818667 0.636779 Al\n0.646666 0.000000 0.807926 Al\n0.004323 0.636779 0.818667 Al\n0.185655 0.181334 0.818111 Al\n0.284559 0.000001 0.000000 W\n",
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{
"id": "mp-989521",
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"structure_string": "Cs2 S1 Cl6 F1\n1.0\n0.000000 5.165756 5.165756\n5.165756 0.000000 5.165756\n5.165756 5.165756 0.000000\nCs S Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 S\n0.223824 0.776176 0.776176 Cl\n0.223824 0.776176 0.223824 Cl\n0.776176 0.223824 0.776176 Cl\n0.776176 0.776176 0.223824 Cl\n0.223824 0.223824 0.776176 Cl\n0.776176 0.223824 0.223824 Cl\n0.500000 0.500000 0.500000 F\n",
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"volume": 275.6967598553648,
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"formula_full": "Cs2 S1 Cl6 F1",
"formula_reduced": "Cs2SCl6F",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:20.469000Z",
"spacegroup": 225
},
{
"id": "mp-989543",
"created_at": "2022-09-04T14:44:12.090467Z",
"structure_string": "Cs2 Br1 Cl6 F1\n1.0\n0.000000 5.226274 5.226274\n5.226274 0.000000 5.226274\n5.226274 5.226274 0.000000\nCs Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Br\n0.237139 0.762861 0.762861 Cl\n0.237139 0.762861 0.237139 Cl\n0.762861 0.237139 0.762861 Cl\n0.762861 0.762861 0.237139 Cl\n0.237139 0.237139 0.762861 Cl\n0.762861 0.237139 0.237139 Cl\n0.500000 0.500000 0.500000 F\n",
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"elements": [
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"Cl",
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],
"chemical_system": "Br-Cl-Cs-F",
"density": 3.358481061618281,
"density_atomic": 0.035026236808890124,
"volume": 285.5002681150682,
"volume_molar": 17.193228016066804,
"formula_full": "Cs2 Br1 Cl6 F1",
"formula_reduced": "Cs2BrCl6F",
"formula_anonymous": "ABC2D6",
"energy": -28.46951419,
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"updated_at": "2021-11-28T01:36:26.408000Z",
"spacegroup": 225
},
{
"id": "mp-569788",
"created_at": "2022-09-04T14:48:25.561113Z",
"structure_string": "Li3 Zn3 Ge3\n1.0\n2.143215 -3.712157 0.000000\n2.143215 3.712157 0.000000\n0.000000 0.000000 9.419599\nLi Zn Ge\n3 3 3\ndirect\n0.000000 0.000000 0.163376 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.836624 Li\n0.666667 0.333333 0.706275 Zn\n0.666667 0.333333 0.293725 Zn\n0.333333 0.666667 0.000000 Zn\n0.333333 0.666667 0.363493 Ge\n0.333333 0.666667 0.636507 Ge\n0.666667 0.333333 0.000000 Ge\n",
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"elements": [
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"density": 4.818966592257338,
"density_atomic": 0.060046544892075476,
"volume": 149.88372796763127,
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"formula_full": "Li3 Zn3 Ge3",
"formula_reduced": "LiZnGe",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:39:43.812000Z",
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},
{
"id": "mp-866192",
"created_at": "2022-09-04T14:40:14.008449Z",
"structure_string": "Li2 Yb1 Sn1\n1.0\n0.000000 3.453121 3.453121\n3.453121 0.000000 3.453121\n3.453121 3.453121 0.000000\nLi Yb Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Sn\n",
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"density": 6.162863309386871,
"density_atomic": 0.04857296401763277,
"volume": 82.35033790706977,
"volume_molar": 12.398133162748449,
"formula_full": "Li2 Yb1 Sn1",
"formula_reduced": "Li2YbSn",
"formula_anonymous": "ABC2",
"energy": -11.38742805,
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"updated_at": "2021-11-28T01:34:50.062000Z",
"spacegroup": 225
},
{
"id": "mp-1222324",
"created_at": "2022-09-04T14:40:19.610815Z",
"structure_string": "Li3 Zn3 Ge3\n1.0\n-2.144050 -3.713051 -0.000028\n-2.144050 3.713051 0.000025\n-0.000006 -0.000067 -9.440882\nLi Zn Ge\n3 3 3\ndirect\n0.666690 0.333309 0.168079 Li\n0.666692 0.333306 0.832508 Li\n0.666703 0.333299 0.500177 Li\n0.999983 0.000017 0.294068 Zn\n0.999982 0.000017 0.706433 Zn\n0.333345 0.666670 0.019134 Zn\n0.999971 0.000023 0.998954 Ge\n0.333318 0.666679 0.364551 Ge\n0.333317 0.666680 0.635995 Ge\n",
"nsites": 9,
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],
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"volume": 150.31710003296556,
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"formula_full": "Li3 Zn3 Ge3",
"formula_reduced": "LiZnGe",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:47.745000Z",
"spacegroup": 156
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{
"id": "mp-1022926",
"created_at": "2022-09-04T14:40:11.731469Z",
"structure_string": "Mg12 Mn2 Sb2\n1.0\n5.064161 0.000000 0.000000\n0.000000 6.309322 0.000000\n0.000000 0.000000 10.785424\nMg Mn Sb\n12 2 2\ndirect\n0.000000 0.243753 0.081612 Mg\n0.000000 0.756247 0.081612 Mg\n0.000000 0.500000 0.833674 Mg\n0.500000 0.244569 0.914547 Mg\n0.500000 0.755431 0.914547 Mg\n0.500000 0.500000 0.667756 Mg\n0.000000 0.743753 0.581612 Mg\n0.000000 0.256247 0.581612 Mg\n0.000000 0.000000 0.333674 Mg\n0.500000 0.744569 0.414547 Mg\n0.500000 0.255431 0.414547 Mg\n0.500000 0.000000 0.167756 Mg\n0.000000 0.500000 0.334648 Mn\n0.000000 0.000000 0.834648 Mn\n0.500000 0.500000 0.171604 Sb\n0.500000 0.000000 0.671604 Sb\n",
"nsites": 16,
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"formula_full": "Mg12 Mn2 Sb2",
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{
"id": "mp-570901",
"created_at": "2022-09-04T14:41:36.487696Z",
"structure_string": "Yb8 Au4\n1.0\n4.564931 0.000000 0.000000\n0.000000 7.801116 0.000000\n0.000000 0.000000 9.416009\nYb Au\n8 4\ndirect\n0.750000 0.145652 0.069937 Yb\n0.750000 0.021595 0.667755 Yb\n0.250000 0.354348 0.569937 Yb\n0.250000 0.478405 0.167755 Yb\n0.250000 0.978405 0.332245 Yb\n0.750000 0.645652 0.430063 Yb\n0.250000 0.854348 0.930063 Yb\n0.750000 0.521595 0.832245 Yb\n0.750000 0.251537 0.383462 Au\n0.750000 0.751537 0.116538 Au\n0.250000 0.748463 0.616538 Au\n0.250000 0.248463 0.883462 Au\n",
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"formula_full": "Yb8 Au4",
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{
"id": "mp-568700",
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"structure_string": "Na5 Li1 N2\n1.0\n3.099587 3.022054 0.000000\n-3.099587 3.022054 0.000000\n0.000000 0.157923 6.144034\nNa Li N\n5 1 2\ndirect\n0.625669 0.374331 0.000000 Na\n0.568136 0.853638 0.214323 Na\n0.082997 0.917003 0.500000 Na\n0.616738 0.383262 0.500000 Na\n0.146362 0.431864 0.785677 Na\n0.099291 0.900709 0.000000 Li\n0.109043 0.427236 0.222408 N\n0.572764 0.890957 0.777592 N\n",
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"formula_full": "Na5 Li1 N2",
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{
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"structure_string": "In1 Ag3\n1.0\n4.247110 0.000000 0.000000\n0.000000 4.247110 0.000000\n0.000000 0.000000 4.247110\nIn Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n",
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{
"id": "mp-998608",
"created_at": "2022-09-04T14:45:12.054855Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.573507 -3.840078 0.000000\n6.573507 3.840078 0.000000\n4.330231 0.000000 6.261494\nTl Ag Br\n2 2 6\ndirect\n0.273916 0.273916 0.273916 Tl\n0.773916 0.773916 0.773916 Tl\n0.002450 0.002450 0.002450 Ag\n0.502450 0.502450 0.502450 Ag\n0.807761 0.247668 0.696705 Br\n0.696705 0.807761 0.247668 Br\n0.247668 0.696705 0.807761 Br\n0.307761 0.196705 0.747668 Br\n0.196705 0.747668 0.307761 Br\n0.747668 0.307761 0.196705 Br\n",
"nsites": 10,
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{
"id": "mp-31168",
"created_at": "2022-09-04T14:41:08.421463Z",
"structure_string": "Li2 Al1 Ag1\n1.0\n0.000000 3.158581 3.158581\n3.158581 0.000000 3.158581\n3.158581 3.158581 0.000000\nLi Al Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ag\n",
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]
}