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{
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{
"id": "mp-1097673",
"created_at": "2022-09-04T14:47:40.118741Z",
"structure_string": "Zr2 Re1 Tc1\n1.0\n-4.672070 5.630017 7.963377\n4.672070 -5.630017 7.963377\n4.672070 5.630017 -7.963377\nZr Re Tc\n2 1 1\ndirect\n0.000000 0.241001 0.241001 Zr\n0.000000 0.758999 0.758999 Zr\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Tc\n",
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{
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"nsites": 12,
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"elements": [
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"volume": 2513.458738420067,
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"formula_full": "Th4 Br8",
"formula_reduced": "ThBr2",
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"updated_at": "2021-11-28T01:37:20.873000Z",
"spacegroup": 141
},
{
"id": "mp-1097139",
"created_at": "2022-09-04T14:42:28.472192Z",
"structure_string": "Zn1 Ga1 Ag2\n1.0\n-5.108586 5.384880 7.613199\n5.108586 -5.384880 7.613199\n5.108586 5.384880 -7.613199\nZn Ga Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.000000 0.250816 0.250816 Ag\n0.000000 0.749184 0.749184 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Ga-Zn",
"density": 0.6954876815112087,
"density_atomic": 0.00477480983337792,
"volume": 837.7296980579887,
"volume_molar": 126.12315401343766,
"formula_full": "Zn1 Ga1 Ag2",
"formula_reduced": "ZnGaAg2",
"formula_anonymous": "ABC2",
"energy": -5.86887741,
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"updated_at": "2021-11-28T01:35:49.804000Z",
"spacegroup": 71
},
{
"id": "mp-1097193",
"created_at": "2022-09-04T14:46:42.635635Z",
"structure_string": "Mg1 Ti1 Pt2\n1.0\n-4.852402 5.524906 7.807005\n4.852402 -5.524906 7.807005\n4.852402 5.524906 -7.807005\nMg Ti Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.269613 0.269613 Pt\n0.000000 0.730387 0.730387 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.9170319157978023,
"density_atomic": 0.004777865017307859,
"volume": 837.1940156345908,
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"formula_full": "Mg1 Ti1 Pt2",
"formula_reduced": "MgTiPt2",
"formula_anonymous": "ABC2",
"energy": -15.52621702,
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"updated_at": "2021-11-28T01:37:45.048000Z",
"spacegroup": 71
},
{
"id": "mp-1097321",
"created_at": "2022-09-04T14:39:33.867125Z",
"structure_string": "Mg1 Cu1 Pd2\n1.0\n-4.889026 5.503805 7.777955\n4.889026 -5.503805 7.777955\n4.889026 5.503805 -7.777955\nMg Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cu\n0.000000 0.255456 0.255456 Pd\n0.000000 0.744544 0.744544 Pd\n",
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"elements": [
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"density_atomic": 0.004778033479768773,
"volume": 837.1644981009164,
"volume_molar": 126.03806117096178,
"formula_full": "Mg1 Cu1 Pd2",
"formula_reduced": "MgCuPd2",
"formula_anonymous": "ABC2",
"energy": -9.00922625,
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"updated_at": "2021-11-28T01:34:25.882000Z",
"spacegroup": 71
},
{
"id": "mp-1093894",
"created_at": "2022-09-04T14:44:08.577179Z",
"structure_string": "Zn1 Ag1 Pd2\n1.0\n-5.082381 5.397744 7.626765\n5.082381 -5.397744 7.626765\n5.082381 5.397744 -7.626765\nZn Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.238687 0.238687 Pd\n0.000000 0.761313 0.761313 Pd\n",
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"elements": [
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"Pd"
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"density": 0.7661051597329899,
"density_atomic": 0.004779474325897638,
"volume": 836.9121219724841,
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"formula_full": "Zn1 Ag1 Pd2",
"formula_reduced": "ZnAgPd2",
"formula_anonymous": "ABC2",
"energy": -7.79257574,
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"updated_at": "2021-11-28T01:36:30.885000Z",
"spacegroup": 71
},
{
"id": "mp-1096256",
"created_at": "2022-09-04T14:41:48.378271Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n-4.716303 5.599654 7.919165\n4.716303 -5.599654 7.919165\n4.716303 5.599654 -7.919165\nSc Pd Rh\n2 1 1\ndirect\n0.000000 0.240741 0.240741 Sc\n0.000000 0.759259 0.759259 Sc\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.593967366719689,
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"volume": 836.5699776252885,
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"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
"energy": -18.66177724,
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"updated_at": "2021-11-28T01:35:28.703000Z",
"spacegroup": 71
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{
"id": "mp-1093884",
"created_at": "2022-09-04T14:45:54.244004Z",
"structure_string": "Sc1 Al1 Ru2\n1.0\n-4.666207 5.723301 7.830415\n4.666207 -5.723301 7.830415\n4.666207 5.723301 -7.830415\nSc Al Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.258113 0.258113 Ru\n0.000000 0.741887 0.741887 Ru\n",
"nsites": 4,
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"density": 0.5440853655386373,
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"volume": 836.4796093070295,
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"formula_full": "Sc1 Al1 Ru2",
"formula_reduced": "ScAlRu2",
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"updated_at": "2021-11-28T01:37:12.846000Z",
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},
{
"id": "mp-1097284",
"created_at": "2022-09-04T14:42:43.654889Z",
"structure_string": "Ag1 Sn1 Rh2\n1.0\n-5.117506 5.306156 7.699717\n5.117506 -5.306156 7.699717\n5.117506 5.306156 -7.699717\nAg Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.261997 0.261997 Rh\n0.000000 0.738003 0.738003 Rh\n",
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"formula_full": "Ag1 Sn1 Rh2",
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"updated_at": "2021-11-28T01:35:56.195000Z",
"spacegroup": 71
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{
"id": "mp-1097278",
"created_at": "2022-09-04T14:41:56.704078Z",
"structure_string": "Zr2 Tc1 Ni1\n1.0\n-4.494794 5.737850 8.106447\n4.494794 -5.737850 8.106447\n4.494794 5.737850 -8.106447\nZr Tc Ni\n2 1 1\ndirect\n0.000000 0.254763 0.254763 Zr\n0.000000 0.745237 0.745237 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n",
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{
"id": "mp-1096750",
"created_at": "2022-09-04T14:39:06.303671Z",
"structure_string": "Zr1 In1 Ru2\n1.0\n-4.939129 5.579915 7.581532\n4.939129 -5.579915 7.581532\n4.939129 5.579915 -7.581532\nZr In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.227659 0.227659 Ru\n0.000000 0.772341 0.772341 Ru\n",
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{
"id": "mp-1093979",
"created_at": "2022-09-04T14:46:25.193373Z",
"structure_string": "Zr2 Cu1 Ru1\n1.0\n-4.996867 5.446885 7.675168\n4.996867 -5.446885 7.675168\n4.996867 5.446885 -7.675168\nZr Cu Ru\n2 1 1\ndirect\n0.000000 0.272977 0.272977 Zr\n0.000000 0.727023 0.727023 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ru\n",
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"formula_full": "Zr2 Cu1 Ru1",
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"updated_at": "2021-11-28T01:37:37.019000Z",
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}
]
}