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{
"id": "mp-27971",
"created_at": "2022-09-04T14:44:21.073295Z",
"structure_string": "Ac2 Cl6\n1.0\n3.877093 -6.715323 0.000000\n3.877093 6.715323 0.000000\n0.000000 0.000000 4.565209\nAc Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Ac\n0.333333 0.666667 0.250000 Ac\n0.607953 0.694551 0.750000 Cl\n0.913403 0.607953 0.250000 Cl\n0.392047 0.305449 0.250000 Cl\n0.086597 0.392047 0.750000 Cl\n0.305449 0.913403 0.750000 Cl\n0.694551 0.086597 0.250000 Cl\n",
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{
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{
"id": "mp-1207291",
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"structure_string": "Ac2 Cl2 O1\n1.0\n4.573430 0.000000 0.000000\n0.000000 4.573430 0.000000\n0.000000 0.000000 13.562265\nAc Cl O\n2 2 1\ndirect\n0.500000 0.500000 0.165087 Ac\n0.500000 0.500000 0.834913 Ac\n0.500000 0.500000 0.638617 Cl\n0.500000 0.500000 0.361383 Cl\n0.500000 0.500000 0.000000 O\n",
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"volume": 283.6718875773945,
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"formula_full": "Ac2 Cl2 O1",
"formula_reduced": "Ac2Cl2O",
"formula_anonymous": "AB2C2",
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"spacegroup": 123
},
{
"id": "mp-1183238",
"created_at": "2022-09-04T14:39:35.457164Z",
"structure_string": "Ac2 Ce6\n1.0\n3.587259 -6.213316 0.000000\n3.587259 6.213316 0.000000\n0.000000 0.000000 5.877281\nAc Ce\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.156476 0.312952 0.250000 Ce\n0.687048 0.843524 0.250000 Ce\n0.156476 0.843524 0.250000 Ce\n0.843524 0.687048 0.750000 Ce\n0.312952 0.156476 0.750000 Ce\n0.843524 0.156476 0.750000 Ce\n",
"nsites": 8,
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"elements": [
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"density": 8.205863285210507,
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"volume": 261.99477284072276,
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"formula_full": "Ac2 Ce6",
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"updated_at": "2021-11-28T01:34:35.613000Z",
"spacegroup": 194
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{
"id": "mp-867890",
"created_at": "2022-09-04T14:40:22.630567Z",
"structure_string": "Ac2 Cd6\n1.0\n3.599921 -6.235246 0.000000\n3.599921 6.235246 0.000000\n0.000000 0.000000 5.116090\nAc Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.150109 0.300217 0.250000 Cd\n0.699783 0.849891 0.250000 Cd\n0.150109 0.849891 0.250000 Cd\n0.849891 0.699783 0.750000 Cd\n0.300217 0.150109 0.750000 Cd\n0.849891 0.150109 0.750000 Cd\n",
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"density": 8.15873527430903,
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"volume": 229.67553368601412,
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"formula_full": "Ac2 Cd6",
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"energy": -15.94540852,
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{
"id": "mp-862319",
"created_at": "2022-09-04T14:46:37.631948Z",
"structure_string": "Ac2 Cd1 Sn1\n1.0\n0.000000 4.088284 4.088284\n4.088284 0.000000 4.088284\n4.088284 4.088284 0.000000\nAc Cd Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
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"density": 8.324596836689835,
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"volume": 136.66369773415215,
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"formula_full": "Ac2 Cd1 Sn1",
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"formula_anonymous": "ABC2",
"energy": -15.03687997,
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"updated_at": "2021-11-28T01:37:37.349000Z",
"spacegroup": 225
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{
"id": "mp-1183086",
"created_at": "2022-09-04T14:43:12.485195Z",
"structure_string": "Ac2 Cd1 Hg1\n1.0\n0.000000 4.065664 4.065664\n4.065664 0.000000 4.065664\n4.065664 4.065664 0.000000\nAc Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"density": 9.475902406964186,
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"volume": 134.40779251643895,
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"formula_full": "Ac2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:36:19.473000Z",
"spacegroup": 225
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{
"id": "mp-1183063",
"created_at": "2022-09-04T14:39:29.010994Z",
"structure_string": "Ac2 Cd1 Ge1\n1.0\n0.000000 3.980658 3.980658\n3.980658 0.000000 3.980658\n3.980658 3.980658 0.000000\nAc Cd Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
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"density": 8.41182096739983,
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"updated_at": "2021-11-28T01:34:30.712000Z",
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{
"id": "mp-1183068",
"created_at": "2022-09-04T14:47:57.594213Z",
"structure_string": "Ac2 Cd1 Ga1\n1.0\n0.000000 4.010801 4.010801\n4.010801 0.000000 4.010801\n4.010801 4.010801 0.000000\nAc Cd Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
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"updated_at": "2021-11-28T01:38:14.447000Z",
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{
"id": "mp-27972",
"created_at": "2022-09-04T14:45:19.280994Z",
"structure_string": "Ac2 Br6\n1.0\n4.125813 -7.146117 0.000000\n4.125813 7.146117 0.000000\n0.000000 0.000000 4.718979\nAc Br\n2 6\ndirect\n0.666667 0.333333 0.750000 Ac\n0.333333 0.666667 0.250000 Ac\n0.611294 0.697857 0.750000 Br\n0.913438 0.611294 0.250000 Br\n0.388706 0.302143 0.250000 Br\n0.086562 0.388706 0.750000 Br\n0.302143 0.913438 0.750000 Br\n0.697857 0.086562 0.250000 Br\n",
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{
"id": "mp-30274",
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"structure_string": "Ac2 Br2 O2\n1.0\n4.310625 0.000000 0.000000\n0.000000 4.310625 0.000000\n0.000000 0.000000 7.697091\nAc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.837088 Ac\n0.500000 0.000000 0.162912 Ac\n0.500000 0.000000 0.636554 Br\n0.000000 0.500000 0.363446 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1207297",
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"structure_string": "Ac2 Br2 O1\n1.0\n4.612940 0.000000 0.000000\n0.000000 4.612940 0.000000\n0.000000 0.000000 13.991829\nAc Br O\n2 2 1\ndirect\n0.500000 0.500000 0.159831 Ac\n0.500000 0.500000 0.840169 Ac\n0.500000 0.500000 0.638283 Br\n0.500000 0.500000 0.361717 Br\n0.500000 0.500000 0.000000 O\n",
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]
}