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{
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{
"id": "mp-1094578",
"created_at": "2022-09-04T14:44:08.147356Z",
"structure_string": "Li1 Mg1\n1.0\n5.042161 -1.564963 0.000000\n5.042161 1.564963 0.000000\n4.556435 0.000000 2.666720\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
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{
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{
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"structure_string": "Zn1 Ni1\n1.0\n2.889128 0.000000 0.000000\n0.000000 2.889128 0.000000\n0.000000 0.000000 2.889128\nZn Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n",
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"density": 8.545331755758447,
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"formula_full": "Zn1 Ni1",
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"updated_at": "2021-11-28T01:36:30.114000Z",
"spacegroup": 221
},
{
"id": "mp-23259",
"created_at": "2022-09-04T14:44:15.640718Z",
"structure_string": "Li1 Br1\n1.0\n0.000000 2.756714 2.756714\n2.756714 0.000000 2.756714\n2.756714 2.756714 0.000000\nLi Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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"Br"
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"chemical_system": "Br-Li",
"density": 3.4418250082704427,
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"volume": 41.89914213893865,
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"formula_full": "Li1 Br1",
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"energy_per_atom": -3.583326475,
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"energy_uncorrected": -6.63265295,
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"updated_at": "2021-11-28T01:36:35.784000Z",
"spacegroup": 225
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{
"id": "mp-1228868",
"created_at": "2022-09-04T14:44:19.812957Z",
"structure_string": "Al1 Ni1\n1.0\n-1.938694 -1.381114 1.381114\n-1.938694 1.381114 -1.381114\n0.000000 -2.191628 -2.191628\nAl Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
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"density": 6.060902167304869,
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"volume": 23.472839297968516,
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"formula_full": "Al1 Ni1",
"formula_reduced": "AlNi",
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"energy": -10.78983241,
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"spacegroup": 123
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{
"id": "mp-90",
"created_at": "2022-09-04T14:44:19.817111Z",
"structure_string": "Cr2\n1.0\n-1.173244 2.032119 1.659521\n-1.173530 -2.032119 1.659319\n2.346632 0.000247 1.659320\nCr\n2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 2,
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"volume": 23.73950900640468,
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"formula_full": "Cr2",
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"energy": -19.30609494,
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"energy_above_hull": null,
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"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.493000Z",
"spacegroup": 229
},
{
"id": "mp-1186661",
"created_at": "2022-09-04T14:44:11.168352Z",
"structure_string": "Pu1 Cl1\n1.0\n1.786377 -3.094096 0.000000\n1.786377 3.094096 0.000000\n0.000000 0.000000 4.482002\nPu Cl\n1 1\ndirect\n0.333333 0.666667 0.000000 Pu\n0.666667 0.333333 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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"density": 9.365887335185617,
"density_atomic": 0.040366495900405905,
"volume": 49.5460394911288,
"volume_molar": 14.91866119580482,
"formula_full": "Pu1 Cl1",
"formula_reduced": "PuCl",
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"energy": -18.89397778,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:33.545000Z",
"spacegroup": 187
},
{
"id": "mp-568560",
"created_at": "2022-09-04T14:44:11.261659Z",
"structure_string": "Tl1 Br1\n1.0\n0.000000 3.390545 3.390545\n3.390545 0.000000 3.390545\n3.390545 3.390545 0.000000\nTl Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Br-Tl",
"density": 6.055751176866383,
"density_atomic": 0.025656148556216042,
"volume": 77.95402320881225,
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"formula_full": "Tl1 Br1",
"formula_reduced": "TlBr",
"formula_anonymous": "AB",
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"energy_uncorrected": -5.76707193,
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"updated_at": "2021-11-28T01:36:31.929000Z",
"spacegroup": 225
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{
"id": "mp-68",
"created_at": "2022-09-04T14:44:19.628212Z",
"structure_string": "Sm2\n1.0\n1.840855 -3.188455 0.000000\n1.840855 3.188455 0.000000\n0.000000 0.000000 5.850009\nSm\n2\ndirect\n0.333333 0.666667 0.250000 Sm\n0.666667 0.333333 0.750000 Sm\n",
"nsites": 2,
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"elements": [
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"formula_full": "Sm2",
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"updated_at": "2021-11-28T01:36:23.012000Z",
"spacegroup": 194
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{
"id": "mp-1184687",
"created_at": "2022-09-04T14:44:08.314888Z",
"structure_string": "Hg2\n1.0\n0.000000 2.970073 6.035906\n1.839716 0.000000 6.035906\n1.839716 2.970073 0.000000\nHg\n2\ndirect\n0.365981 0.365981 0.634019 Hg\n0.634019 0.634019 0.365981 Hg\n",
"nsites": 2,
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"volume": 65.96147712112926,
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"formula_full": "Hg2",
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"energy": -0.56896506,
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"spacegroup": 69
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{
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"structure_string": "Tb1 Sb1\n1.0\n0.000000 3.114590 3.114590\n3.114590 0.000000 3.114590\n3.114590 3.114590 0.000000\nTb Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n",
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"volume": 60.42722495815117,
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"formula_full": "Tb1 Sb1",
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{
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"structure_string": "Ga1 Ag1\n1.0\n3.317227 0.000000 0.000000\n0.000000 3.317227 0.000000\n0.000000 0.000000 3.317227\nGa Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n",
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]
}