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{
"id": "mp-1179985",
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"structure_string": "P2 Br2\n1.0\n4.938563 0.000000 0.000000\n-2.062390 5.194497 0.000000\n-0.696781 -0.653765 6.233256\nP Br\n2 2\ndirect\n0.359280 0.500243 0.368129 P\n0.640720 0.499757 0.631871 P\n0.334202 0.144987 0.757244 Br\n0.665798 0.855013 0.242756 Br\n",
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{
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{
"id": "mp-1183597",
"created_at": "2022-09-04T14:45:11.545477Z",
"structure_string": "Ca1 Ho3\n1.0\n-2.544660 2.544660 5.064871\n2.544660 -2.544660 5.064871\n2.544660 2.544660 -5.064871\nCa Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
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"elements": [
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"density": 6.770310498147222,
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"volume": 131.18612563408595,
"volume_molar": 19.750532858187743,
"formula_full": "Ca1 Ho3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:51.254000Z",
"spacegroup": 139
},
{
"id": "mp-1225551",
"created_at": "2022-09-04T14:39:48.074536Z",
"structure_string": "Er1 Cu1 Ge1\n1.0\n-2.108023 -3.649072 0.000000\n-2.110248 3.650356 0.000000\n0.000000 0.000000 -3.669233\nEr Cu Ge\n1 1 1\ndirect\n0.999807 0.999722 0.000000 Er\n0.333278 0.666949 0.500000 Cu\n0.666815 0.333329 0.500000 Ge\n",
"nsites": 3,
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"elements": [
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"Cu",
"Ge"
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"chemical_system": "Cu-Er-Ge",
"density": 8.919911019125472,
"density_atomic": 0.0531071130607643,
"volume": 56.48960802232742,
"volume_molar": 11.339612366256029,
"formula_full": "Er1 Cu1 Ge1",
"formula_reduced": "ErCuGe",
"formula_anonymous": "ABC",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:37.514000Z",
"spacegroup": 187
},
{
"id": "mp-1184106",
"created_at": "2022-09-04T14:40:42.224376Z",
"structure_string": "Er2 Al1 Cd1\n1.0\n0.000000 3.640028 3.640028\n3.640028 0.000000 3.640028\n3.640028 3.640028 0.000000\nEr Al Cd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Cd-Er",
"density": 8.158330504271419,
"density_atomic": 0.041468260929956674,
"volume": 96.4593139499226,
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"formula_full": "Er2 Al1 Cd1",
"formula_reduced": "Er2AlCd",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.475000Z",
"spacegroup": 225
},
{
"id": "mp-1099267",
"created_at": "2022-09-04T14:40:25.876567Z",
"structure_string": "Rb1 Y1 Mg6\n1.0\n3.528334 -5.882721 0.000000\n3.528334 5.882721 0.000000\n0.000000 0.000000 5.472402\nRb Y Mg\n1 1 6\ndirect\n0.148353 0.851647 0.000000 Rb\n0.349359 0.650641 0.500000 Y\n0.821016 0.647346 0.500000 Mg\n0.352654 0.178984 0.500000 Mg\n0.842384 0.157616 0.500000 Mg\n0.645708 0.824780 0.000000 Mg\n0.175220 0.354292 0.000000 Mg\n0.665307 0.334693 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"Y",
"Mg"
],
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"density": 2.3405582054461376,
"density_atomic": 0.03521551606308205,
"volume": 227.17259022044394,
"volume_molar": 17.100816439016413,
"formula_full": "Rb1 Y1 Mg6",
"formula_reduced": "RbYMg6",
"formula_anonymous": "ABC6",
"energy": -15.19029462,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.784000Z",
"spacegroup": 38
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{
"id": "mp-975994",
"created_at": "2022-09-04T14:46:11.827037Z",
"structure_string": "Na1 La3\n1.0\n5.256287 0.000000 0.000000\n0.000000 5.256287 0.000000\n0.000000 0.000000 5.256287\nNa La\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n",
"nsites": 4,
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"elements": [
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"La"
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"chemical_system": "La-Na",
"density": 5.027759041226388,
"density_atomic": 0.027543731783501477,
"volume": 145.22360410131407,
"volume_molar": 21.863924639315666,
"formula_full": "Na1 La3",
"formula_reduced": "NaLa3",
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"energy": -15.18887341,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.950000Z",
"spacegroup": 221
},
{
"id": "mp-1187230",
"created_at": "2022-09-04T14:45:15.762190Z",
"structure_string": "Sr1 Sm3\n1.0\n-2.650321 2.650321 5.312748\n2.650321 -2.650321 5.312748\n2.650321 2.650321 -5.312748\nSr Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
"nsites": 4,
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"elements": [
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"Sm"
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"chemical_system": "Sm-Sr",
"density": 5.992663746213463,
"density_atomic": 0.02679685511009308,
"volume": 149.27124782241307,
"volume_molar": 22.473311645185376,
"formula_full": "Sr1 Sm3",
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"updated_at": "2021-11-28T01:36:57.053000Z",
"spacegroup": 139
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{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
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],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
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"energy": -15.18856493,
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"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
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{
"id": "mp-623012",
"created_at": "2022-09-04T14:41:58.782204Z",
"structure_string": "Cu2 Te2\n1.0\n3.869679 0.000000 0.000000\n0.000000 3.902514 0.000000\n0.000000 0.000000 5.442008\nCu Te\n2 2\ndirect\n0.500000 0.291270 0.000000 Cu\n0.000000 0.708730 0.500000 Cu\n0.000000 0.782824 0.000000 Te\n0.500000 0.217176 0.500000 Te\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Te",
"density": 7.72441717981606,
"density_atomic": 0.048672247979962974,
"volume": 82.18235577791044,
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"formula_full": "Cu2 Te2",
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"updated_at": "2021-11-28T01:35:36.425000Z",
"spacegroup": 59
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{
"id": "mp-1184782",
"created_at": "2022-09-04T14:46:11.648286Z",
"structure_string": "Ge1 Pb3\n1.0\n-2.438360 2.438360 4.930600\n2.438360 -2.438360 4.930600\n2.438360 2.438360 -4.930600\nGe Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 9.831127236158192,
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"volume": 117.26149137368704,
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"updated_at": "2021-11-28T01:37:24.315000Z",
"spacegroup": 139
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{
"id": "mp-1184078",
"created_at": "2022-09-04T14:40:28.799882Z",
"structure_string": "Dy2 Mg1 Ga1\n1.0\n0.000000 3.653957 3.653957\n3.653957 0.000000 3.653957\n3.653957 3.653957 0.000000\nDy Mg Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 7.131351599369136,
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"volume": 97.57089582580933,
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"formula_full": "Dy2 Mg1 Ga1",
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"updated_at": "2021-11-28T01:34:58.426000Z",
"spacegroup": 225
}
]
}