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{
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"results": [
{
"id": "mp-11723",
"created_at": "2022-09-04T14:40:03.627274Z",
"structure_string": "Er1 Ni1 C2\n1.0\n2.253173 -2.989181 0.000000\n2.253173 2.989181 0.000000\n0.000000 0.000000 3.537074\nEr Ni C\n1 1 2\ndirect\n0.997484 0.002516 0.000000 Er\n0.386162 0.613838 0.500000 Ni\n0.850263 0.454910 0.500000 C\n0.545090 0.149737 0.500000 C\n",
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{
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},
{
"id": "mp-1021696",
"created_at": "2022-09-04T14:40:03.837337Z",
"structure_string": "Mg12 V2 B2\n1.0\n4.754846 0.000000 0.000000\n0.000000 5.761911 0.000000\n0.000000 0.000000 10.890913\nMg V B\n12 2 2\ndirect\n0.500000 0.248277 0.428198 Mg\n0.500000 0.751723 0.428198 Mg\n0.000000 0.749810 0.084276 Mg\n0.000000 0.250190 0.084276 Mg\n0.000000 0.000000 0.327760 Mg\n0.000000 0.500000 0.313280 Mg\n0.500000 0.748277 0.928198 Mg\n0.500000 0.251723 0.928198 Mg\n0.000000 0.249810 0.584276 Mg\n0.000000 0.750190 0.584276 Mg\n0.000000 0.500000 0.827760 Mg\n0.000000 0.000000 0.813280 Mg\n0.500000 0.000000 0.176775 V\n0.500000 0.500000 0.676775 V\n0.500000 0.500000 0.157233 B\n0.500000 0.000000 0.657233 B\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "B-Mg-V",
"density": 2.3104817424320143,
"density_atomic": 0.053623195716957076,
"volume": 298.378337696505,
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"formula_full": "Mg12 V2 B2",
"formula_reduced": "Mg6VB",
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"energy": -43.14430839,
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"spacegroup": 38
},
{
"id": "mp-1073705",
"created_at": "2022-09-04T14:40:03.656493Z",
"structure_string": "Mg1 Si1\n1.0\n2.908394 0.000000 0.000000\n0.000000 2.908394 0.000000\n0.000000 0.000000 4.103427\nMg Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
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"density": 2.5063888446691336,
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"volume": 34.709886358511795,
"volume_molar": 10.451391070728093,
"formula_full": "Mg1 Si1",
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"updated_at": "2021-11-28T01:34:47.205000Z",
"spacegroup": 123
},
{
"id": "mp-2938",
"created_at": "2022-09-04T14:40:03.981541Z",
"structure_string": "Tm1 Fe2 Si2\n1.0\n-1.973354 1.973354 4.712535\n1.973354 -1.973354 4.712535\n1.973354 1.973354 -4.712535\nTm Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.633439 0.633439 0.000000 Si\n0.366561 0.366561 0.000000 Si\n",
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],
"chemical_system": "Fe-Si-Tm",
"density": 7.618867537520222,
"density_atomic": 0.06811541761326885,
"volume": 73.40482045324791,
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"formula_full": "Tm1 Fe2 Si2",
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"formula_anonymous": "AB2C2",
"energy": -35.51825073,
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"updated_at": "2021-11-28T01:34:47.935000Z",
"spacegroup": 139
},
{
"id": "mp-866207",
"created_at": "2022-09-04T14:40:03.706654Z",
"structure_string": "Lu1 Cd1 Pd2\n1.0\n0.000000 3.353809 3.353809\n3.353809 0.000000 3.353809\n3.353809 3.353809 0.000000\nLu Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Lu-Pd",
"density": 11.009394644165635,
"density_atomic": 0.0530169839969513,
"volume": 75.44752074599371,
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"formula_full": "Lu1 Cd1 Pd2",
"formula_reduced": "LuCdPd2",
"formula_anonymous": "ABC2",
"energy": -18.90721138,
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"updated_at": "2021-11-28T01:34:46.922000Z",
"spacegroup": 225
},
{
"id": "mp-1186336",
"created_at": "2022-09-04T14:40:03.714803Z",
"structure_string": "Nd1 Y1 Zn2\n1.0\n0.000000 3.644047 3.644047\n3.644047 0.000000 3.644047\n3.644047 3.644047 0.000000\nNd Y Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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"density": 6.244933661577047,
"density_atomic": 0.041331206825998265,
"volume": 96.77917261984979,
"volume_molar": 14.570445003826835,
"formula_full": "Nd1 Y1 Zn2",
"formula_reduced": "NdYZn2",
"formula_anonymous": "ABC2",
"energy": -15.09730168,
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"spacegroup": 225
},
{
"id": "mp-1205780",
"created_at": "2022-09-04T14:40:03.719716Z",
"structure_string": "Er7 Te2 Pt2\n1.0\n-1.972151 4.796644 7.778258\n1.972151 -4.796644 7.778258\n1.972151 4.796644 -7.778258\nEr Te Pt\n7 2 2\ndirect\n0.715236 0.130760 0.584476 Er\n0.453716 0.869240 0.584476 Er\n0.693234 0.315917 0.377318 Er\n0.061401 0.684083 0.377318 Er\n0.087744 0.355613 0.732130 Er\n0.376517 0.644387 0.732130 Er\n0.999970 0.000000 0.999970 Er\n0.737093 0.500000 0.237093 Te\n0.337535 0.000000 0.337535 Te\n0.311087 0.237740 0.073347 Pt\n0.835607 0.762260 0.073347 Pt\n",
"nsites": 11,
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"elements": [
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],
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"density": 10.24679950701712,
"density_atomic": 0.03737426825370852,
"volume": 294.3201436166849,
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"formula_full": "Er7 Te2 Pt2",
"formula_reduced": "Er7(TePt)2",
"formula_anonymous": "A2B2C7",
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"spacegroup": 44
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{
"id": "mp-1234851",
"created_at": "2022-09-04T14:40:03.852381Z",
"structure_string": "Mg1 Al2 H4 Pb2 O4 F6\n1.0\n7.442135 -0.326249 -1.532511\n-2.732337 7.096492 -0.393866\n0.248490 -0.176079 4.821068\nMg Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.500000 0.000000 0.500000 Mg\n0.158890 0.671892 0.152714 Al\n0.841110 0.328108 0.847286 Al\n0.158107 0.499434 0.662637 H\n0.841893 0.500566 0.337363 H\n0.106457 0.835099 0.765704 H\n0.893543 0.164901 0.234296 H\n0.741481 0.777464 0.921617 Pb\n0.258519 0.222536 0.078383 Pb\n0.099753 0.482921 0.833052 O\n0.900247 0.517079 0.166948 O\n0.079821 0.845459 0.958838 O\n0.920179 0.154541 0.041162 O\n0.222594 0.847480 0.490228 F\n0.777406 0.152520 0.509773 F\n0.257642 0.533974 0.373461 F\n0.742358 0.466026 0.626539 F\n0.415016 0.827165 0.129198 F\n0.584984 0.172835 0.870802 F\n",
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{
"id": "mp-1044440",
"created_at": "2022-09-04T14:40:05.760162Z",
"structure_string": "Pr2 Sb4 O12\n1.0\n5.602351 0.000000 0.000000\n0.000000 5.807428 0.000000\n0.000000 0.000000 8.036527\nPr Sb O\n2 4 12\ndirect\n0.018559 0.689671 0.000000 Pr\n0.518559 0.310329 0.500000 Pr\n0.004068 0.237403 0.750614 Sb\n0.004068 0.237403 0.249386 Sb\n0.504068 0.762597 0.250614 Sb\n0.504068 0.762597 0.749386 Sb\n0.098086 0.235438 0.500000 O\n0.203040 0.951427 0.800243 O\n0.203040 0.951427 0.199757 O\n0.272004 0.481299 0.213638 O\n0.272004 0.481299 0.786362 O\n0.435604 0.726568 0.500000 O\n0.598086 0.764562 0.000000 O\n0.703040 0.048573 0.699757 O\n0.703040 0.048573 0.300243 O\n0.772004 0.518701 0.713638 O\n0.772004 0.518701 0.286362 O\n0.935604 0.273432 0.000000 O\n",
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"formula_full": "Pr2 Sb4 O12",
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{
"id": "mp-1246282",
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"structure_string": "Ba6 Ti4 N8\n1.0\n7.776017 0.258563 -0.052730\n-5.655657 7.227247 0.000000\n-0.153495 -0.120116 6.065305\nBa Ti N\n6 4 8\ndirect\n0.240720 0.983393 0.058215 Ba\n0.759280 0.742673 0.441785 Ba\n0.759280 0.016607 0.941785 Ba\n0.240720 0.257327 0.558215 Ba\n0.000000 0.598687 0.750000 Ba\n0.000000 0.401313 0.250000 Ba\n0.583660 0.175383 0.570004 Ti\n0.416340 0.591722 0.929996 Ti\n0.416340 0.824617 0.429996 Ti\n0.583660 0.408278 0.070004 Ti\n0.294274 0.956627 0.520118 N\n0.705726 0.662353 0.979882 N\n0.705726 0.043373 0.479882 N\n0.294274 0.337647 0.020118 N\n0.633662 0.262895 0.879364 N\n0.366338 0.629233 0.620636 N\n0.366338 0.737105 0.120636 N\n0.633662 0.370767 0.379364 N\n",
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"volume": 349.64050471410445,
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{
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"structure_string": "Ho1 Er1 Pd2\n1.0\n0.000000 3.483854 3.483854\n3.483854 0.000000 3.483854\n3.483854 3.483854 0.000000\nHo Er Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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]
}