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{
"id": "mp-569548",
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{
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{
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"structure_string": "Ba6 Zn2 Hg20\n1.0\n0.000000 0.000000 6.271955\n7.426115 0.000000 0.000000\n0.000000 17.679192 0.000000\nBa Zn Hg\n6 2 20\ndirect\n0.456280 0.750000 0.750000 Ba\n0.545985 0.250000 0.250000 Ba\n0.822824 0.750000 0.070938 Ba\n0.822824 0.750000 0.429062 Ba\n0.175422 0.250000 0.932581 Ba\n0.175422 0.250000 0.567419 Ba\n0.026001 0.250000 0.360735 Zn\n0.026001 0.250000 0.139265 Zn\n0.357255 0.750000 0.542936 Hg\n0.357255 0.750000 0.957064 Hg\n0.670271 0.250000 0.449211 Hg\n0.670271 0.250000 0.050789 Hg\n0.660525 0.040435 0.601872 Hg\n0.660525 0.459565 0.601872 Hg\n0.660525 0.040435 0.898128 Hg\n0.660525 0.459565 0.898128 Hg\n0.325507 0.972915 0.396157 Hg\n0.325507 0.527085 0.396157 Hg\n0.325507 0.972915 0.103843 Hg\n0.325507 0.527085 0.103843 Hg\n0.983249 0.053580 0.750000 Hg\n0.983249 0.446420 0.750000 Hg\n0.014916 0.961639 0.250000 Hg\n0.014916 0.538361 0.250000 Hg\n0.520184 0.750000 0.250000 Hg\n0.477065 0.250000 0.750000 Hg\n0.978242 0.750000 0.636735 Hg\n0.978242 0.750000 0.863265 Hg\n",
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"density": 10.015658688669541,
"density_atomic": 0.034004078874146935,
"volume": 823.4306273559495,
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"formula_full": "Ba6 Zn2 Hg20",
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"spacegroup": 25
},
{
"id": "mp-1228019",
"created_at": "2022-09-04T14:40:13.954483Z",
"structure_string": "Ba1 Bi2 I2 O2\n1.0\n-1.897026 1.897026 14.154768\n1.897026 -1.897026 14.154768\n1.897026 1.897026 -14.154768\nBa Bi I O\n1 2 2 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.618848 0.618848 0.000000 Bi\n0.381152 0.381152 0.000000 Bi\n0.808355 0.808355 0.000000 I\n0.191645 0.191645 0.000000 I\n0.936750 0.436750 0.500000 O\n0.563250 0.063250 0.500000 O\n",
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"density": 6.854647311961745,
"density_atomic": 0.03435490300060114,
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"formula_full": "Ba1 Bi2 I2 O2",
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"updated_at": "2021-11-28T01:34:55.991000Z",
"spacegroup": 119
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{
"id": "mp-10894",
"created_at": "2022-09-04T14:41:00.166899Z",
"structure_string": "Mn1 Al1 Rh2\n1.0\n0.000000 3.023629 3.023629\n3.023629 0.000000 3.023629\n3.023629 3.023629 0.000000\nMn Al Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"chemical_system": "Al-Mn-Rh",
"density": 8.642106663484652,
"density_atomic": 0.07235099189980415,
"volume": 55.28604231908018,
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"formula_full": "Mn1 Al1 Rh2",
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"updated_at": "2021-11-28T01:35:10.870000Z",
"spacegroup": 225
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{
"id": "mp-1184769",
"created_at": "2022-09-04T14:47:03.534187Z",
"structure_string": "Ho1 Er1 Ir2\n1.0\n0.000000 3.410344 3.410344\n3.410344 0.000000 3.410344\n3.410344 3.410344 0.000000\nHo Er Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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"elements": [
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"density": 15.000836361676996,
"density_atomic": 0.05042378365189887,
"volume": 79.32764481963596,
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"formula_full": "Ho1 Er1 Ir2",
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"spacegroup": 225
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{
"id": "mp-20698",
"created_at": "2022-09-04T14:39:44.401951Z",
"structure_string": "Li2 Co2 As2\n1.0\n3.759629 0.000000 0.000000\n0.000000 3.759629 0.000000\n0.000000 0.000000 6.121854\nLi Co As\n2 2 2\ndirect\n0.000000 0.500000 0.671409 Li\n0.500000 0.000000 0.328591 Li\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.769288 As\n0.000000 0.500000 0.230712 As\n",
"nsites": 6,
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"density": 5.4037572079822285,
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"volume": 86.53124447010642,
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"formula_full": "Li2 Co2 As2",
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"updated_at": "2021-11-28T01:34:44.416000Z",
"spacegroup": 129
},
{
"id": "mp-1178510",
"created_at": "2022-09-04T14:48:22.002165Z",
"structure_string": "Ba1 Pd1 O3\n1.0\n4.128267 0.000000 0.000000\n0.000000 4.128267 0.000000\n0.000000 0.000000 4.128267\nBa Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 70.35635538244601,
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"updated_at": "2021-11-28T01:39:05.944000Z",
"spacegroup": 221
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{
"id": "mp-1113444",
"created_at": "2022-09-04T14:46:17.830474Z",
"structure_string": "Cs2 Tl1 Ag1 Br6\n1.0\n0.000000 5.661343 5.661343\n5.661343 0.000000 5.661343\n5.661343 5.661343 0.000000\nCs Tl Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748074 0.251926 0.251926 Br\n0.251926 0.251926 0.748074 Br\n0.251926 0.748074 0.748074 Br\n0.251926 0.748074 0.251926 Br\n0.748074 0.251926 0.748074 Br\n0.748074 0.748074 0.251926 Br\n",
"nsites": 10,
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{
"id": "mp-1026788",
"created_at": "2022-09-04T14:47:55.908061Z",
"structure_string": "La1 Mg14 Ga1\n1.0\n6.541819 0.000000 0.000000\n-3.270910 5.665381 0.000000\n-0.000000 0.000000 10.375262\nLa Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.181246 0.840622 0.125000 Mg\n0.161015 0.830507 0.625000 Mg\n0.659378 0.318754 0.125000 Mg\n0.669493 0.338985 0.625000 Mg\n0.659378 0.840622 0.125000 Mg\n0.669493 0.830507 0.625000 Mg\n0.333946 0.166054 0.386081 Mg\n0.333946 0.166054 0.863919 Mg\n0.333946 0.667893 0.386081 Mg\n0.333946 0.667893 0.863919 Mg\n0.832107 0.166054 0.386081 Mg\n0.832107 0.166054 0.863919 Mg\n0.833333 0.666667 0.364617 Mg\n0.833333 0.666667 0.885383 Mg\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
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{
"id": "mp-1021204",
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"structure_string": "Na2 La2 Mg12\n1.0\n5.287566 0.000000 0.000000\n0.000000 6.890990 0.000000\n0.000000 0.000000 11.768526\nNa La Mg\n2 2 12\ndirect\n0.500000 0.500000 0.834294 Na\n0.500000 0.000000 0.334294 Na\n0.500000 0.500000 0.334746 La\n0.500000 0.000000 0.834746 La\n0.500000 0.255844 0.081129 Mg\n0.500000 0.744156 0.081129 Mg\n0.000000 0.254337 0.921585 Mg\n0.000000 0.745663 0.921585 Mg\n0.000000 0.500000 0.161680 Mg\n0.000000 0.500000 0.663857 Mg\n0.500000 0.755844 0.581129 Mg\n0.500000 0.244156 0.581129 Mg\n0.000000 0.754337 0.421585 Mg\n0.000000 0.245663 0.421585 Mg\n0.000000 0.000000 0.661680 Mg\n0.000000 0.000000 0.163857 Mg\n",
"nsites": 16,
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"density": 2.383321984185997,
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"volume": 428.80465584913145,
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"formula_full": "Na2 La2 Mg12",
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"spacegroup": 38
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{
"id": "mp-1187371",
"created_at": "2022-09-04T14:40:06.457620Z",
"structure_string": "Tb1 Lu1 Ir2\n1.0\n0.000000 3.402171 3.402171\n3.402171 0.000000 3.402171\n3.402171 3.402171 0.000000\nTb Lu Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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}
]
}