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"results": [
{
"id": "mp-1187150",
"created_at": "2022-09-04T14:39:31.444478Z",
"structure_string": "Sr1 Ac1 Au2\n1.0\n0.000000 3.882428 3.882428\n3.882428 0.000000 3.882428\n3.882428 3.882428 0.000000\nSr Ac Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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"formula_full": "Sr1 Ac1 Au2",
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{
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"structure_string": "Ac1 Tl1 Au2\n1.0\n0.000000 3.756255 3.756255\n3.756255 0.000000 3.756255\n3.756255 3.756255 0.000000\nAc Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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"updated_at": "2021-11-28T01:37:17.217000Z",
"spacegroup": 225
},
{
"id": "mp-1183185",
"created_at": "2022-09-04T14:46:10.712253Z",
"structure_string": "Ac1 Yb1 Au2\n1.0\n0.000000 3.773837 3.773837\n3.773837 0.000000 3.773837\n3.773837 3.773837 0.000000\nAc Yb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Au-Yb",
"density": 12.26522435888206,
"density_atomic": 0.03721179170053683,
"volume": 107.49280852129178,
"volume_molar": 16.183420590073663,
"formula_full": "Ac1 Yb1 Au2",
"formula_reduced": "AcYbAu2",
"formula_anonymous": "ABC2",
"energy": -15.68910583,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.476000Z",
"spacegroup": 225
},
{
"id": "mp-1183066",
"created_at": "2022-09-04T14:45:24.578723Z",
"structure_string": "Ac2 Zn1 Au1\n1.0\n0.000000 3.918901 3.918901\n3.918901 0.000000 3.918901\n3.918901 3.918901 0.000000\nAc Zn Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Zn",
"Au"
],
"chemical_system": "Ac-Au-Zn",
"density": 9.8825038236508,
"density_atomic": 0.033230518562159424,
"volume": 120.37127836322477,
"volume_molar": 18.12231954411205,
"formula_full": "Ac2 Zn1 Au1",
"formula_reduced": "Ac2ZnAu",
"formula_anonymous": "ABC2",
"energy": -14.79500466,
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"energy_uncorrected": -14.79500466,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.983000Z",
"spacegroup": 225
},
{
"id": "mp-861734",
"created_at": "2022-09-04T14:42:21.620664Z",
"structure_string": "Ac1 Zn1 Au2\n1.0\n0.000000 3.659301 3.659301\n3.659301 0.000000 3.659301\n3.659301 3.659301 0.000000\nAc Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
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"elements": [
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"Zn",
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"chemical_system": "Ac-Au-Zn",
"density": 11.629615653589246,
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"volume": 97.99962158259491,
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"formula_full": "Ac1 Zn1 Au2",
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"updated_at": "2021-11-28T01:35:46.361000Z",
"spacegroup": 225
},
{
"id": "mp-1183376",
"created_at": "2022-09-04T14:46:17.805970Z",
"structure_string": "Ba6 Ac2\n1.0\n4.364217 -7.559045 0.000000\n4.364217 7.559045 0.000000\n0.000000 0.000000 6.935610\nBa Ac\n6 2\ndirect\n0.170666 0.341332 0.250000 Ba\n0.658668 0.829334 0.250000 Ba\n0.170666 0.829334 0.250000 Ba\n0.829334 0.658668 0.750000 Ba\n0.341332 0.170666 0.750000 Ba\n0.829334 0.170666 0.750000 Ba\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ac"
],
"chemical_system": "Ac-Ba",
"density": 4.637448616175158,
"density_atomic": 0.017482440537997287,
"volume": 457.60201401013575,
"volume_molar": 34.44679675535662,
"formula_full": "Ba6 Ac2",
"formula_reduced": "Ba3Ac",
"formula_anonymous": "AB3",
"energy": -18.90180902,
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"energy_uncorrected": -18.90180902,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.804000Z",
"spacegroup": 194
},
{
"id": "mp-1183337",
"created_at": "2022-09-04T14:42:01.147019Z",
"structure_string": "Ba3 Ac1\n1.0\n-3.035450 3.035450 6.199349\n3.035450 -3.035450 6.199349\n3.035450 3.035450 -6.199349\nBa Ac\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
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"elements": [
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"Ac"
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"chemical_system": "Ac-Ba",
"density": 4.6439207259564625,
"density_atomic": 0.017506839358075295,
"volume": 228.4821330787467,
"volume_molar": 34.39878916363162,
"formula_full": "Ba3 Ac1",
"formula_reduced": "Ba3Ac",
"formula_anonymous": "AB3",
"energy": -9.42557947,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:36.226000Z",
"spacegroup": 139
},
{
"id": "mp-1183364",
"created_at": "2022-09-04T14:46:56.389414Z",
"structure_string": "Ba2 Ac6\n1.0\n4.120202 -7.136399 0.000000\n4.120202 7.136399 0.000000\n0.000000 0.000000 6.589075\nBa Ac\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.161999 0.323997 0.250000 Ac\n0.676003 0.838001 0.250000 Ac\n0.161999 0.838001 0.250000 Ac\n0.838001 0.676003 0.750000 Ac\n0.323997 0.161999 0.750000 Ac\n0.838001 0.161999 0.750000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ac"
],
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"density": 7.013808351529065,
"density_atomic": 0.02064609437115881,
"volume": 387.48248730159133,
"volume_molar": 29.168426007063694,
"formula_full": "Ba2 Ac6",
"formula_reduced": "BaAc3",
"formula_anonymous": "AB3",
"energy": -27.72948631,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:48.302000Z",
"spacegroup": 194
},
{
"id": "mp-1183052",
"created_at": "2022-09-04T14:46:57.260340Z",
"structure_string": "Ac1 B1 O3\n1.0\n3.721668 0.000000 0.000000\n0.000000 3.721668 0.000000\n0.000000 0.000000 3.721668\nAc B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "Ac-B-O",
"density": 9.206878605801688,
"density_atomic": 0.09699673583553461,
"volume": 51.54812640786059,
"volume_molar": 6.208601462848194,
"formula_full": "Ac1 B1 O3",
"formula_reduced": "AcBO3",
"formula_anonymous": "ABC3",
"energy": -38.02139757,
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"energy_above_hull": null,
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"band_gap": 0.8071000000000002,
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"updated_at": "2021-11-28T01:37:51.999000Z",
"spacegroup": 221
},
{
"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": [
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"chemical_system": "Ac-Br",
"density": 7.898587871097114,
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"volume": 319.9333446819538,
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"formula_full": "Ac6 Br2",
"formula_reduced": "Ac3Br",
"formula_anonymous": "AB3",
"energy": -30.00682418,
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"updated_at": "2021-11-28T01:34:34.813000Z",
"spacegroup": 194
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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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"volume": 278.26443503344444,
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"formula_full": "Ac2 Br6",
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"formula_anonymous": "AB3",
"energy": -38.02018253,
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"updated_at": "2021-11-28T01:37:01.919000Z",
"spacegroup": 176
},
{
"id": "mp-1207297",
"created_at": "2022-09-04T14:40:21.555469Z",
"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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"chemical_system": "Ac-Br-O",
"density": 3.5125843022531993,
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"volume": 297.73514374101035,
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"formula_full": "Ac2 Br2 O1",
"formula_reduced": "Ac2Br2O",
"formula_anonymous": "AB2C2",
"energy": -23.76456896,
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"updated_at": "2021-11-28T01:34:50.664000Z",
"spacegroup": 123
}
]
}