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{
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{
"id": "mp-981382",
"created_at": "2022-09-04T14:47:04.829634Z",
"structure_string": "Mg1 Hg5\n1.0\n5.810830 -2.804494 0.000000\n5.810830 2.804494 0.000000\n4.457290 0.000000 4.665136\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.157750 0.842250 0.500000 Hg\n0.500000 0.157750 0.842250 Hg\n0.842250 0.500000 0.157750 Hg\n0.661910 0.661910 0.661910 Hg\n0.338090 0.338090 0.338090 Hg\n",
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{
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{
"id": "mp-1178951",
"created_at": "2022-09-04T14:47:08.163676Z",
"structure_string": "Te2 O8\n1.0\n4.964466 0.000000 0.000000\n0.000000 5.235457 0.000000\n0.000000 2.361606 5.262152\nTe O\n2 8\ndirect\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.647978 0.370866 0.342130 O\n0.147978 0.129134 0.657870 O\n0.352022 0.629134 0.657870 O\n0.852022 0.870866 0.342130 O\n0.819560 0.363743 0.885750 O\n0.319560 0.136257 0.114250 O\n0.180440 0.636257 0.114250 O\n0.680440 0.863743 0.885750 O\n",
"nsites": 10,
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"elements": [
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"O"
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"chemical_system": "O-Te",
"density": 4.65241697225184,
"density_atomic": 0.07311550324950794,
"volume": 136.76989907153924,
"volume_molar": 8.236475839398027,
"formula_full": "Te2 O8",
"formula_reduced": "TeO4",
"formula_anonymous": "AB4",
"energy": -52.23321801,
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"updated_at": "2021-11-28T01:37:54.028000Z",
"spacegroup": 14
},
{
"id": "mp-1187748",
"created_at": "2022-09-04T14:47:11.457228Z",
"structure_string": "U1 Mn3\n1.0\n-1.899707 1.899707 3.762944\n1.899707 -1.899707 3.762944\n1.899707 1.899707 -3.762944\nU Mn\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 Mn\n0.250000 0.750002 0.500002 Mn\n0.750002 0.250000 0.500002 Mn\n",
"nsites": 4,
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"density": 12.31470392870607,
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"volume": 54.32015400478152,
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"formula_full": "U1 Mn3",
"formula_reduced": "UMn3",
"formula_anonymous": "AB3",
"energy": -38.20633695,
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"updated_at": "2021-11-28T01:37:58.927000Z",
"spacegroup": 139
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{
"id": "mp-1184712",
"created_at": "2022-09-04T14:47:08.144937Z",
"structure_string": "Ge2 Au6\n1.0\n2.880096 -4.988473 0.000000\n2.880096 4.988473 0.000000\n0.000000 0.000000 5.163224\nGe Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n0.166348 0.332697 0.250000 Au\n0.667303 0.833652 0.250000 Au\n0.166348 0.833652 0.250000 Au\n0.833652 0.667303 0.750000 Au\n0.332697 0.166348 0.750000 Au\n0.833652 0.166348 0.750000 Au\n",
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"density": 14.853214654820073,
"density_atomic": 0.053921806624140825,
"volume": 148.36298152551876,
"volume_molar": 11.16828447899942,
"formula_full": "Ge2 Au6",
"formula_reduced": "GeAu3",
"formula_anonymous": "AB3",
"energy": -28.31644401,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:52.669000Z",
"spacegroup": 194
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{
"id": "mp-1094328",
"created_at": "2022-09-04T14:47:08.821476Z",
"structure_string": "Mg1 Ti3\n1.0\n0.000000 3.329896 3.329896\n3.329896 0.000000 3.329896\n3.329896 3.329896 0.000000\nMg Ti\n1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n",
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"density": 3.775663731612014,
"density_atomic": 0.054167399526049174,
"volume": 73.84515474250144,
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"formula_full": "Mg1 Ti3",
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"formula_anonymous": "AB3",
"energy": -24.40378976,
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"updated_at": "2021-11-28T01:37:58.710000Z",
"spacegroup": 225
},
{
"id": "mp-1187848",
"created_at": "2022-09-04T14:47:05.450553Z",
"structure_string": "Tl6 Co2\n1.0\n8.386629 0.605609 -0.008166\n-3.689188 8.132818 -0.005817\n0.002635 0.011478 3.083216\nTl Co\n6 2\ndirect\n0.187938 0.409377 0.255518 Tl\n0.603103 0.818506 0.244265 Tl\n0.169469 0.834027 0.249821 Tl\n0.812726 0.593964 0.744369 Tl\n0.393821 0.180686 0.755900 Tl\n0.833390 0.163064 0.750012 Tl\n0.329417 0.669412 0.749595 Co\n0.670129 0.330961 0.250506 Co\n",
"nsites": 8,
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"density": 10.27707770162392,
"density_atomic": 0.03683473606311993,
"volume": 217.1862989948188,
"volume_molar": 16.349080796128067,
"formula_full": "Tl6 Co2",
"formula_reduced": "Tl3Co",
"formula_anonymous": "AB3",
"energy": -24.31492187,
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"spacegroup": 11
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{
"id": "mp-2493",
"created_at": "2022-09-04T14:47:12.382090Z",
"structure_string": "Ce1 N1\n1.0\n0.000000 2.525670 2.525670\n2.525670 0.000000 2.525670\n2.525670 2.525670 0.000000\nCe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 N\n",
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"density": 7.942475672762934,
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"volume": 32.22254306393652,
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"formula_full": "Ce1 N1",
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"updated_at": "2021-11-28T01:38:00.968000Z",
"spacegroup": 225
},
{
"id": "mp-1217988",
"created_at": "2022-09-04T14:47:08.384102Z",
"structure_string": "Ta3 Ru1\n1.0\n1.669090 -2.342311 0.000000\n1.669090 2.342311 0.000000\n0.000000 0.000000 8.814198\nTa Ru\n3 1\ndirect\n0.500000 0.500000 0.763884 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.236116 Ta\n0.000000 0.000000 0.000000 Ru\n",
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"density": 15.514565288761728,
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"spacegroup": 65
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{
"id": "mp-1185123",
"created_at": "2022-09-04T14:47:11.424908Z",
"structure_string": "K3 Tb1\n1.0\n-2.905376 2.905376 6.671850\n2.905376 -2.905376 6.671850\n2.905376 2.905376 -6.671850\nK Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tb\n",
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{
"id": "mp-1184450",
"created_at": "2022-09-04T14:47:08.307109Z",
"structure_string": "Ga2 Pb6\n1.0\n3.408252 -5.903266 0.000000\n3.408252 5.903266 0.000000\n0.000000 0.000000 5.816420\nGa Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.169936 0.339872 0.250000 Pb\n0.660128 0.830064 0.250000 Pb\n0.169936 0.830064 0.250000 Pb\n0.830064 0.660128 0.750000 Pb\n0.339872 0.169936 0.750000 Pb\n0.830064 0.169936 0.750000 Pb\n",
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{
"id": "mp-1094401",
"created_at": "2022-09-04T14:47:05.651455Z",
"structure_string": "Y2 Mg4\n1.0\n1.669114 -2.890990 0.000000\n1.669114 2.890990 0.000000\n0.000000 0.000000 16.603763\nY Mg\n2 4\ndirect\n0.333333 0.666667 0.589382 Y\n0.666667 0.333333 0.410618 Y\n0.333333 0.666667 0.919323 Mg\n0.666667 0.333333 0.759986 Mg\n0.333333 0.666667 0.240014 Mg\n0.666667 0.333333 0.080677 Mg\n",
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"density": 2.850117337825767,
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"volume": 160.2393264102624,
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"updated_at": "2021-11-28T01:37:52.579000Z",
"spacegroup": 164
}
]
}