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{
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"results": [
{
"id": "mp-1078286",
"created_at": "2022-09-04T14:39:34.653030Z",
"structure_string": "Ce2 Mn2 As2 O2\n1.0\n4.052511 0.000000 0.000000\n0.000000 4.052511 0.000000\n0.000000 0.000000 8.945474\nCe Mn As O\n2 2 2 2\ndirect\n0.000000 0.500000 0.864350 Ce\n0.500000 0.000000 0.135650 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.307361 As\n0.500000 0.000000 0.692639 As\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
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"elements": [
"Ce",
"Mn",
"As",
"O"
],
"chemical_system": "As-Ce-Mn-O",
"density": 6.464805565606248,
"density_atomic": 0.0544550579447466,
"volume": 146.91013657752939,
"volume_molar": 11.058919019258832,
"formula_full": "Ce2 Mn2 As2 O2",
"formula_reduced": "CeMnAsO",
"formula_anonymous": "ABCD",
"energy": -64.40644843999999,
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"updated_at": "2021-11-28T01:34:30.995000Z",
"spacegroup": 129
},
{
"id": "mp-1226628",
"created_at": "2022-09-04T14:42:47.326508Z",
"structure_string": "Ce2 Mn2 Al2\n1.0\n-3.885255 0.012167 -3.773787\n3.897422 -3.897422 0.000000\n-3.873088 -3.873088 0.000000\nCe Mn Al\n2 2 2\ndirect\n0.221798 0.110899 0.139101 Ce\n0.778202 0.889101 0.860899 Ce\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n",
"nsites": 6,
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"elements": [
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"Mn",
"Al"
],
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"density": 6.472312780964126,
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"volume": 113.93107015084902,
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"formula_full": "Ce2 Mn2 Al2",
"formula_reduced": "CeMnAl",
"formula_anonymous": "ABC",
"energy": -38.91941212,
"energy_per_atom": -6.486568686666666,
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"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:06.590000Z",
"spacegroup": 74
},
{
"id": "mp-1227212",
"created_at": "2022-09-04T14:43:14.088156Z",
"structure_string": "Ce2 Mn22 C3\n1.0\n0.010526 0.000000 6.525701\n-5.051636 4.943877 3.254333\n-5.062162 -4.943877 -3.271368\nCe Mn C\n2 22 3\ndirect\n0.382076 0.748696 0.248696 Ce\n0.617924 0.251304 0.751304 Ce\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.120071 0.248164 0.748164 Mn\n0.879929 0.751836 0.251836 Mn\n0.175137 0.177037 0.416512 Mn\n0.435663 0.916512 0.677037 Mn\n0.852375 0.824189 0.919287 Mn\n0.257276 0.419287 0.324189 Mn\n0.188253 0.574369 0.832081 Mn\n0.430541 0.332081 0.074369 Mn\n0.849189 0.089328 0.172545 Mn\n0.265972 0.672545 0.589328 Mn\n0.824863 0.822963 0.583488 Mn\n0.564337 0.083488 0.322963 Mn\n0.147625 0.175811 0.080713 Mn\n0.742724 0.580713 0.675811 Mn\n0.811747 0.425631 0.167919 Mn\n0.569459 0.667919 0.925631 Mn\n0.150811 0.910672 0.827455 Mn\n0.734028 0.327455 0.410672 Mn\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"C"
],
"chemical_system": "C-Ce-Mn",
"density": 7.7603775130199315,
"density_atomic": 0.08274768268792874,
"volume": 326.29312535345196,
"volume_molar": 7.277715295921528,
"formula_full": "Ce2 Mn22 C3",
"formula_reduced": "Ce2Mn22C3",
"formula_anonymous": "A2B3C22",
"energy": -242.66397699,
"energy_per_atom": -8.987554703333334,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -242.66397699,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.8275312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.616000Z",
"spacegroup": 12
},
{
"id": "mp-1226752",
"created_at": "2022-09-04T14:41:11.608740Z",
"structure_string": "Ce2 Mn20 Cu2\n1.0\n0.000000 0.000000 4.743483\n8.209648 0.017855 0.000000\n0.017855 8.209648 0.000000\nCe Mn Cu\n2 20 2\ndirect\n0.994099 0.500000 0.500000 Ce\n0.994099 0.000000 0.000000 Ce\n0.000261 0.112888 0.612888 Mn\n0.000261 0.887112 0.387112 Mn\n0.998524 0.382175 0.117825 Mn\n0.998524 0.617825 0.882175 Mn\n0.494081 0.572204 0.718037 Mn\n0.494081 0.427796 0.281963 Mn\n0.492447 0.936853 0.220833 Mn\n0.492447 0.063147 0.779167 Mn\n0.492447 0.720833 0.436853 Mn\n0.492447 0.279167 0.563147 Mn\n0.494081 0.218037 0.072204 Mn\n0.494081 0.781963 0.927796 Mn\n0.769728 0.176689 0.323311 Mn\n0.769728 0.823311 0.676689 Mn\n0.261661 0.678143 0.178143 Mn\n0.261661 0.321857 0.821857 Mn\n0.230160 0.822886 0.677114 Mn\n0.230160 0.177114 0.322886 Mn\n0.498059 0.000000 0.500000 Mn\n0.498269 0.500000 0.000000 Mn\n0.774348 0.321099 0.821099 Cu\n0.774348 0.678901 0.178901 Cu\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Cu"
],
"chemical_system": "Ce-Cu-Mn",
"density": 7.822655132646718,
"density_atomic": 0.0750700792636828,
"volume": 319.7012742680113,
"volume_molar": 8.022025311638874,
"formula_full": "Ce2 Mn20 Cu2",
"formula_reduced": "CeMn10Cu",
"formula_anonymous": "ABC10",
"energy": -200.91635176,
"energy_per_atom": -8.371514656666667,
"energy_above_hull": null,
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"energy_uncorrected": -200.91635176,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.667000Z",
"spacegroup": 35
},
{
"id": "mp-1226782",
"created_at": "2022-09-04T14:44:14.786373Z",
"structure_string": "Ce2 Mn1 Si4 Pd3\n1.0\n4.143758 0.000000 0.000000\n0.000000 4.143758 0.000000\n0.000000 0.000000 10.210376\nCe Mn Si Pd\n2 1 4 3\ndirect\n0.000000 0.000000 0.001643 Ce\n0.500000 0.500000 0.498357 Ce\n0.000000 0.500000 0.250000 Mn\n0.500000 0.500000 0.115135 Si\n0.000000 0.000000 0.617101 Si\n0.000000 0.000000 0.384865 Si\n0.500000 0.500000 0.882899 Si\n0.500000 0.000000 0.750000 Pd\n0.500000 0.000000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"Si",
"Pd"
],
"chemical_system": "Ce-Mn-Pd-Si",
"density": 7.262478582319024,
"density_atomic": 0.05703868390810274,
"volume": 175.31961319639478,
"volume_molar": 10.55799388657443,
"formula_full": "Ce2 Mn1 Si4 Pd3",
"formula_reduced": "Ce2MnSi4Pd3",
"formula_anonymous": "AB2C3D4",
"energy": -66.02663924999999,
"energy_per_atom": -6.602663924999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -66.31063925,
"band_gap": 0.0,
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"total_magnetization": 3.7080331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.446000Z",
"spacegroup": 115
},
{
"id": "mp-1226784",
"created_at": "2022-09-04T14:42:05.046503Z",
"structure_string": "Ce2 Mn1 Se2 O2\n1.0\n3.991530 0.000000 0.000000\n0.000000 3.991530 0.000000\n0.000000 0.000000 9.284509\nCe Mn Se O\n2 1 2 2\ndirect\n0.500000 0.000000 0.366945 Ce\n0.000000 0.500000 0.633055 Ce\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.819000 Se\n0.000000 0.500000 0.181000 Se\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"Se",
"O"
],
"chemical_system": "Ce-Mn-O-Se",
"density": 5.894461733937468,
"density_atomic": 0.04732169618825275,
"volume": 147.9236917491917,
"volume_molar": 12.725961335035473,
"formula_full": "Ce2 Mn1 Se2 O2",
"formula_reduced": "Ce2Mn(SeO)2",
"formula_anonymous": "AB2C2D2",
"energy": -56.24427257000001,
"energy_per_atom": -8.034896081428572,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.981000Z",
"spacegroup": 115
},
{
"id": "mp-1213945",
"created_at": "2022-09-04T14:41:27.509147Z",
"structure_string": "Ce2 Mn1 Sb2 O1\n1.0\n3.255369 0.000000 0.000000\n0.000000 3.255369 0.000000\n0.000000 0.000000 16.163883\nCe Mn Sb O\n2 1 2 1\ndirect\n0.500000 0.500000 0.627324 Ce\n0.500000 0.500000 0.372676 Ce\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.170372 Sb\n0.500000 0.500000 0.829628 Sb\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"Sb",
"O"
],
"chemical_system": "Ce-Mn-O-Sb",
"density": 5.764918641973329,
"density_atomic": 0.03502717443782,
"volume": 171.29557540106924,
"volume_molar": 17.192767777173874,
"formula_full": "Ce2 Mn1 Sb2 O1",
"formula_reduced": "Ce2MnSb2O",
"formula_anonymous": "ABC2D2",
"energy": -37.281872,
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"is_stable": null,
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"updated_at": "2021-11-28T01:35:15.120000Z",
"spacegroup": 123
},
{
"id": "mp-1226975",
"created_at": "2022-09-04T14:47:22.411906Z",
"structure_string": "Ce2 Mn1 N3 F1\n1.0\n3.892617 0.000000 0.000000\n0.000000 3.892617 0.000000\n1.946308 1.946308 6.284297\nCe Mn N F\n2 1 3 1\ndirect\n0.373148 0.373148 0.253705 Ce\n0.636095 0.636095 0.727810 Ce\n0.021264 0.021264 0.957472 Mn\n0.995412 0.495412 0.009177 N\n0.495412 0.995412 0.009177 N\n0.191016 0.191016 0.617968 N\n0.820654 0.820654 0.358692 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"N",
"F"
],
"chemical_system": "Ce-F-Mn-N",
"density": 6.908932723920349,
"density_atomic": 0.0735119576215904,
"volume": 95.22260359373296,
"volume_molar": 8.192056033930596,
"formula_full": "Ce2 Mn1 N3 F1",
"formula_reduced": "Ce2MnN3F",
"formula_anonymous": "ABC2D3",
"energy": -59.42385976,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.008000Z",
"spacegroup": 107
},
{
"id": "mp-10068",
"created_at": "2022-09-04T14:39:28.604845Z",
"structure_string": "Ce2 Mn1 N3\n1.0\n-1.730326 1.898739 6.199750\n1.730326 -1.898739 6.199750\n1.730326 1.898739 -6.199750\nCe Mn N\n2 1 3\ndirect\n0.645780 0.645780 0.000000 Ce\n0.354220 0.354220 0.000000 Ce\n0.000000 0.000000 0.000000 Mn\n0.837190 0.837190 0.000000 N\n0.162810 0.162810 0.000000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"N"
],
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"density": 7.687445708476535,
"density_atomic": 0.07364171217776987,
"volume": 81.47556354360827,
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"formula_full": "Ce2 Mn1 N3",
"formula_reduced": "Ce2MnN3",
"formula_anonymous": "AB2C3",
"energy": -54.63503202,
"energy_per_atom": -9.105838669999999,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.187000Z",
"spacegroup": 71
},
{
"id": "mp-1227057",
"created_at": "2022-09-04T14:45:17.267177Z",
"structure_string": "Ce2 Mn17 C2\n1.0\n-4.315579 2.451694 4.073200\n0.000000 -4.948063 4.099750\n4.315579 2.451694 4.073200\nCe Mn C\n2 17 2\ndirect\n0.644237 0.659107 0.644237 Ce\n0.355763 0.340893 0.355763 Ce\n0.903529 0.902717 0.903529 Mn\n0.096471 0.097283 0.096471 Mn\n0.729209 0.000000 0.270791 Mn\n0.995779 0.278975 0.721590 Mn\n0.278410 0.721025 0.004221 Mn\n0.004221 0.721025 0.278410 Mn\n0.721590 0.278975 0.995779 Mn\n0.270791 0.000000 0.729209 Mn\n0.339074 0.340209 0.860890 Mn\n0.349705 0.865455 0.349705 Mn\n0.860890 0.340209 0.339074 Mn\n0.660926 0.659791 0.139110 Mn\n0.650295 0.134545 0.650295 Mn\n0.139110 0.659791 0.660926 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"Mn",
"C"
],
"chemical_system": "C-Ce-Mn",
"density": 7.886436206362187,
"density_atomic": 0.08054899652380591,
"volume": 260.7108828946558,
"volume_molar": 7.476369687883303,
"formula_full": "Ce2 Mn17 C2",
"formula_reduced": "Ce2Mn17C2",
"formula_anonymous": "A2B2C17",
"energy": -187.07912010000004,
"energy_per_atom": -8.90852952857143,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.985000Z",
"spacegroup": 12
},
{
"id": "mp-1094760",
"created_at": "2022-09-04T14:43:00.044043Z",
"structure_string": "Ce2 Mg6\n1.0\n3.406577 -5.900365 0.000000\n3.406577 5.900365 0.000000\n0.000000 0.000000 5.187345\nCe Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.326771 0.163385 0.250000 Mg\n0.836615 0.163385 0.250000 Mg\n0.836615 0.673229 0.250000 Mg\n0.673229 0.836615 0.750000 Mg\n0.163385 0.326771 0.750000 Mg\n0.163385 0.836615 0.750000 Mg\n",
"nsites": 8,
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"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 3.392732994884582,
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"volume": 208.53176387898966,
"volume_molar": 15.697595437629493,
"formula_full": "Ce2 Mg6",
"formula_reduced": "CeMg3",
"formula_anonymous": "AB3",
"energy": -21.34861227,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:09.781000Z",
"spacegroup": 194
},
{
"id": "mp-1226970",
"created_at": "2022-09-04T14:41:04.874773Z",
"structure_string": "Ce2 Mg5 Au1\n1.0\n8.519032 -2.557488 0.000000\n8.519032 2.557488 0.000000\n7.751252 0.000000 4.362654\nCe Mg Au\n2 5 1\ndirect\n0.252214 0.252214 0.252214 Ce\n0.747786 0.747786 0.747786 Ce\n0.871477 0.871477 0.871477 Mg\n0.378685 0.378685 0.378685 Mg\n0.128523 0.128523 0.128523 Mg\n0.621315 0.621315 0.621315 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Au\n",
"nsites": 8,
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"elements": [
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"Mg",
"Au"
],
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"density": 5.229869252526489,
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"volume": 190.10109591906,
"volume_molar": 14.310194478185512,
"formula_full": "Ce2 Mg5 Au1",
"formula_reduced": "Ce2Mg5Au",
"formula_anonymous": "AB2C5",
"energy": -24.05008449,
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"updated_at": "2021-11-28T01:35:19.819000Z",
"spacegroup": 166
}
]
}