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{
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{
"id": "mp-1095818",
"created_at": "2022-09-04T14:41:59.710997Z",
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{
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{
"id": "mp-1096041",
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"chemical_system": "Ag-Cd-Y",
"density": 0.5084552114643599,
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"volume": 1376.8699692014436,
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"formula_full": "Y1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:37:49.404000Z",
"spacegroup": 71
},
{
"id": "mp-1096220",
"created_at": "2022-09-04T14:45:03.837844Z",
"structure_string": "Na1 Ca2 Rh1\n1.0\n-6.012126 6.394009 8.957813\n6.012126 -6.394009 8.957813\n6.012126 6.394009 -8.957813\nNa Ca Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.303216 0.303216 Ca\n0.000000 0.696784 0.696784 Ca\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Na-Rh",
"density": 0.24840543352669672,
"density_atomic": 0.0029040005276177215,
"volume": 1377.410218062658,
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"formula_full": "Na1 Ca2 Rh1",
"formula_reduced": "NaCa2Rh",
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"energy": -7.75716412,
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"energy_uncorrected": -7.75716412,
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"updated_at": "2021-11-28T01:36:54.490000Z",
"spacegroup": 71
},
{
"id": "mp-1093723",
"created_at": "2022-09-04T14:48:20.219905Z",
"structure_string": "La2 Ag1 Hg1\n1.0\n-6.148755 6.256911 8.953198\n6.148755 -6.256911 8.953198\n6.148755 6.256911 -8.953198\nLa Ag Hg\n2 1 1\ndirect\n0.000000 0.250190 0.250190 La\n0.000000 0.749810 0.749810 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7065790968725209,
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"volume": 1377.797354635903,
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"formula_full": "La2 Ag1 Hg1",
"formula_reduced": "La2AgHg",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.315000Z",
"spacegroup": 71
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{
"id": "mp-1097280",
"created_at": "2022-09-04T14:39:21.025001Z",
"structure_string": "Ti2 Mn1 Ga1\n1.0\n-5.028419 7.207045 9.505016\n5.028419 -7.207045 9.505016\n5.028419 7.207045 -9.505016\nTi Mn Ga\n2 1 1\ndirect\n0.000000 0.221130 0.221130 Ti\n0.000000 0.778870 0.778870 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Ga\n",
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"density": 0.2656130371093724,
"density_atomic": 0.002903076333166234,
"volume": 1377.848716653416,
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"formula_full": "Ti2 Mn1 Ga1",
"formula_reduced": "Ti2MnGa",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.276000Z",
"spacegroup": 71
},
{
"id": "mp-1096218",
"created_at": "2022-09-04T14:44:45.898244Z",
"structure_string": "Y2 Tl1 Cu1\n1.0\n-5.830877 5.846635 10.105070\n5.830877 -5.846635 10.105070\n5.830877 5.846635 -10.105070\nY Tl Cu\n2 1 1\ndirect\n0.000000 0.240279 0.240279 Y\n0.000000 0.759721 0.759721 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
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"density": 0.5371461911561748,
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"volume": 1377.9681514490096,
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"formula_full": "Y2 Tl1 Cu1",
"formula_reduced": "Y2TlCu",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.976000Z",
"spacegroup": 71
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{
"id": "mp-1207296",
"created_at": "2022-09-04T14:42:26.685958Z",
"structure_string": "Li1 Ho3 S6\n1.0\n4.834722 -8.708393 0.000000\n4.834722 8.708393 0.000000\n0.000000 0.000000 41.039231\nLi Ho S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.231064 S\n0.000000 0.000000 0.768936 S\n0.244895 0.994835 0.000000 S\n0.755105 0.005165 0.000000 S\n0.994835 0.244895 0.000000 S\n0.005165 0.755105 0.000000 S\n",
"nsites": 10,
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"elements": [
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"Ho",
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"chemical_system": "Ho-Li-S",
"density": 0.33353863340883616,
"density_atomic": 0.00289375169743972,
"volume": 3455.7215150310285,
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"formula_full": "Li1 Ho3 S6",
"formula_reduced": "Li(HoS2)3",
"formula_anonymous": "AB3C6",
"energy": -34.43289041,
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"updated_at": "2021-11-28T01:35:44.172000Z",
"spacegroup": 65
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{
"id": "mp-1097374",
"created_at": "2022-09-04T14:39:27.521561Z",
"structure_string": "La2 In1 Ga1\n1.0\n-5.808876 6.479900 9.180947\n5.808876 -6.479900 9.180947\n5.808876 6.479900 -9.180947\nLa In Ga\n2 1 1\ndirect\n0.000000 0.238372 0.238372 La\n0.000000 0.761628 0.761628 La\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 0.5554102630162123,
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"volume": 1382.3177388169518,
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"formula_full": "La2 In1 Ga1",
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"updated_at": "2021-11-28T01:34:36.634000Z",
"spacegroup": 71
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{
"id": "mp-1096325",
"created_at": "2022-09-04T14:47:07.641958Z",
"structure_string": "Y1 Tl1 Hg2\n1.0\n-6.185151 6.286854 8.887899\n6.185151 -6.286854 8.887899\n6.185151 6.286854 -8.887899\nY Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.250028 0.250028 Hg\n0.000000 0.749972 0.749972 Hg\n",
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"updated_at": "2021-11-28T01:37:58.703000Z",
"spacegroup": 71
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{
"id": "mp-1096092",
"created_at": "2022-09-04T14:40:06.148279Z",
"structure_string": "Li1 Y2 Hg1\n1.0\n-6.140635 6.307838 8.926279\n6.140635 -6.307838 8.926279\n6.140635 6.307838 -8.926279\nLi Y Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257492 0.257492 Y\n0.000000 0.742508 0.742508 Y\n0.000000 0.500000 0.500000 Hg\n",
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"volume": 1383.006633270699,
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"formula_full": "Li1 Y2 Hg1",
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"energy": -7.20160102,
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"spacegroup": 71
},
{
"id": "mp-1095813",
"created_at": "2022-09-04T14:41:45.555962Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n-6.134766 6.323271 8.915663\n6.134766 -6.323271 8.915663\n6.134766 6.323271 -8.915663\nCa Ga Hg\n2 1 1\ndirect\n0.000000 0.233437 0.233437 Ca\n0.000000 0.766563 0.766563 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
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"volume": 1383.4180337472526,
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"formula_full": "Ca2 Ga1 Hg1",
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"energy": -3.12074854,
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"updated_at": "2021-11-28T01:35:25.736000Z",
"spacegroup": 71
}
]
}