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{
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"results": [
{
"id": "mp-1183090",
"created_at": "2022-09-04T14:47:43.942832Z",
"structure_string": "Ac3 Cd1\n1.0\n-2.622908 2.622908 5.623313\n2.622908 -2.622908 5.623313\n2.622908 2.622908 -5.623313\nAc Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Cd\n",
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"volume_molar": 23.297497583128347,
"formula_full": "Ac3 Cd1",
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{
"id": "mp-27972",
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"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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"updated_at": "2021-11-28T01:37:01.919000Z",
"spacegroup": 176
},
{
"id": "mp-1183119",
"created_at": "2022-09-04T14:39:17.134192Z",
"structure_string": "Ac6 Br2\n1.0\n3.970873 -6.877754 0.000000\n3.970873 6.877754 0.000000\n0.000000 0.000000 5.857292\nAc Br\n6 2\ndirect\n0.170874 0.341747 0.250000 Ac\n0.658253 0.829126 0.250000 Ac\n0.170874 0.829126 0.250000 Ac\n0.829126 0.658253 0.750000 Ac\n0.341747 0.170874 0.750000 Ac\n0.829126 0.170874 0.750000 Ac\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
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"elements": [
"Ac",
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],
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"density": 7.898587871097114,
"density_atomic": 0.0250052085316484,
"volume": 319.9333446819538,
"volume_molar": 24.083545443654046,
"formula_full": "Ac6 Br2",
"formula_reduced": "Ac3Br",
"formula_anonymous": "AB3",
"energy": -30.00682418,
"energy_per_atom": -3.7508530225,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:34.813000Z",
"spacegroup": 194
},
{
"id": "mp-1183064",
"created_at": "2022-09-04T14:45:27.348480Z",
"structure_string": "Ac3 Au1\n1.0\n5.244383 0.000000 0.000000\n0.000000 5.244383 0.000000\n0.000000 0.000000 5.244383\nAc Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Ac\n0.500000 0.000000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Au",
"density": 10.10750288448455,
"density_atomic": 0.027731718847944856,
"volume": 144.23916605863153,
"volume_molar": 21.715714027752334,
"formula_full": "Ac3 Au1",
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"energy": -16.02914147,
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"energy_uncorrected": -16.02914147,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.118000Z",
"spacegroup": 221
},
{
"id": "mp-867838",
"created_at": "2022-09-04T14:47:03.423293Z",
"structure_string": "Ac2 Au6\n1.0\n3.457651 -5.988828 0.000000\n3.457651 5.988828 0.000000\n0.000000 0.000000 4.768045\nAc Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.147049 0.294098 0.250000 Au\n0.705902 0.852951 0.250000 Au\n0.147049 0.852951 0.250000 Au\n0.852951 0.705902 0.750000 Au\n0.294098 0.147049 0.750000 Au\n0.852951 0.147049 0.750000 Au\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ac-Au",
"density": 13.75579860727423,
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"volume": 197.46645830013608,
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"formula_full": "Ac2 Au6",
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"formula_anonymous": "AB3",
"energy": -33.39687901,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:51.808000Z",
"spacegroup": 194
},
{
"id": "mp-862617",
"created_at": "2022-09-04T14:45:09.888126Z",
"structure_string": "Ac2 Al6\n1.0\n3.477623 -6.023419 0.000000\n3.477623 6.023419 0.000000\n0.000000 0.000000 4.655560\nAc Al\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.132025 0.264050 0.250000 Al\n0.735950 0.867975 0.250000 Al\n0.132025 0.867975 0.250000 Al\n0.867975 0.735950 0.750000 Al\n0.264050 0.132025 0.750000 Al\n0.867975 0.132025 0.750000 Al\n",
"nsites": 8,
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"Ac",
"Al"
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"chemical_system": "Ac-Al",
"density": 5.243535473828824,
"density_atomic": 0.041016867441996584,
"volume": 195.04171085988187,
"volume_molar": 14.682107960867866,
"formula_full": "Ac2 Al6",
"formula_reduced": "AcAl3",
"formula_anonymous": "AB3",
"energy": -33.52852259,
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"updated_at": "2021-11-28T01:36:54.842000Z",
"spacegroup": 194
},
{
"id": "mp-1183080",
"created_at": "2022-09-04T14:46:28.173917Z",
"structure_string": "Ac3 Ag1\n1.0\n-2.601994 2.601994 5.561064\n2.601994 -2.601994 5.561064\n2.601994 2.601994 -5.561064\nAc Ag\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"chemical_system": "Ac-Ag",
"density": 8.698073655591466,
"density_atomic": 0.026560088954236633,
"volume": 150.60190524557544,
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"formula_full": "Ac3 Ag1",
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"updated_at": "2021-11-28T01:37:43.368000Z",
"spacegroup": 139
},
{
"id": "mp-1183112",
"created_at": "2022-09-04T14:39:13.819622Z",
"structure_string": "Ac6 Ag2\n1.0\n3.867725 -6.699097 0.000000\n3.867725 6.699097 0.000000\n0.000000 0.000000 5.747898\nAc Ag\n6 2\ndirect\n0.175212 0.350423 0.250000 Ac\n0.649577 0.824788 0.250000 Ac\n0.175212 0.824788 0.250000 Ac\n0.824788 0.649577 0.750000 Ac\n0.350423 0.175212 0.750000 Ac\n0.824788 0.175212 0.750000 Ac\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
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"density": 8.795745210236547,
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"volume": 297.8591201059116,
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"formula_full": "Ac6 Ag2",
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"formula_anonymous": "AB3",
"energy": -29.64716214,
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"updated_at": "2021-11-28T01:34:34.765000Z",
"spacegroup": 194
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{
"id": "mp-866199",
"created_at": "2022-09-04T14:42:14.301274Z",
"structure_string": "Ac1 Ag1\n1.0\n3.974166 0.000000 0.000000\n0.000000 3.974166 0.000000\n0.000000 0.000000 3.974166\nAc Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ag\n",
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"updated_at": "2021-11-28T01:35:40.122000Z",
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{
"id": "mp-865950",
"created_at": "2022-09-04T14:40:16.809805Z",
"structure_string": "Ac2 Ag6\n1.0\n3.490936 -6.046479 0.000000\n3.490936 6.046479 0.000000\n0.000000 0.000000 4.863053\nAc Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.140201 0.280403 0.250000 Ag\n0.719597 0.859799 0.250000 Ag\n0.140201 0.859799 0.250000 Ag\n0.859799 0.719597 0.750000 Ag\n0.280403 0.140201 0.750000 Ag\n0.859799 0.140201 0.750000 Ag\n",
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{
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{
"id": "mp-1178608",
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"updated_at": "2021-11-28T01:37:40.392000Z",
"spacegroup": 191
}
]
}