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{
"id": "mp-1039025",
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"structure_string": "Mg1 Cd1\n1.0\n0.000000 3.323570 3.323570\n3.323570 0.000000 3.323570\n3.323570 3.323570 0.000000\nMg Cd\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Cd\n",
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{
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{
"id": "mp-1039011",
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"structure_string": "Mg1 Cd5\n1.0\n1.554450 -2.692387 0.000000\n1.554450 2.692387 0.000000\n0.000000 0.000000 16.276953\nMg Cd\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.835326 Cd\n0.000000 0.000000 0.667034 Cd\n0.666667 0.333333 0.500000 Cd\n0.000000 0.000000 0.332966 Cd\n0.666667 0.333333 0.164674 Cd\n",
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"formula_full": "Mg1 Cd5",
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"updated_at": "2021-11-28T01:35:58.504000Z",
"spacegroup": 187
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{
"id": "mp-1039010",
"created_at": "2022-09-04T14:47:39.877710Z",
"structure_string": "Mg1 Al1\n1.0\n0.000000 2.875805 2.875805\n2.875805 0.000000 2.875805\n2.875805 2.875805 0.000000\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
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"formula_full": "Mg1 Al1",
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"updated_at": "2021-11-28T01:38:13.414000Z",
"spacegroup": 225
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{
"id": "mp-1039008",
"created_at": "2022-09-04T14:41:47.429308Z",
"structure_string": "Ce4 Mg2\n1.0\n1.626559 5.342627 0.000000\n-1.626559 5.342627 0.000000\n0.000000 3.674053 8.929609\nCe Mg\n4 2\ndirect\n0.313401 0.313401 0.110564 Ce\n0.019165 0.019165 0.221643 Ce\n0.980835 0.980835 0.778357 Ce\n0.686599 0.686599 0.889436 Ce\n0.658274 0.658274 0.441645 Mg\n0.341726 0.341726 0.558355 Mg\n",
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"formula_full": "Ce4 Mg2",
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"spacegroup": 12
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{
"id": "mp-10390",
"created_at": "2022-09-04T14:46:15.522934Z",
"structure_string": "Ta4 O10\n1.0\n2.464982 6.475098 0.000000\n-2.464982 6.475098 0.000000\n0.000000 1.275285 5.451438\nTa O\n4 10\ndirect\n0.387359 0.894681 0.230777 Ta\n0.105319 0.612641 0.269223 Ta\n0.612641 0.105319 0.769223 Ta\n0.894681 0.387359 0.730777 Ta\n0.726795 0.863772 0.127567 O\n0.136228 0.273205 0.372433 O\n0.273205 0.136228 0.872433 O\n0.863772 0.726795 0.627567 O\n0.891228 0.108772 0.750000 O\n0.108772 0.891228 0.250000 O\n0.337893 0.438468 0.983320 O\n0.561532 0.662107 0.516680 O\n0.662107 0.561532 0.016680 O\n0.438468 0.337893 0.483320 O\n",
"nsites": 14,
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"elements": [
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"O"
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"chemical_system": "O-Ta",
"density": 8.43324676377032,
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"volume": 174.02080403482483,
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"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy": -143.48902391,
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"updated_at": "2021-11-28T01:37:32.951000Z",
"spacegroup": 15
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{
"id": "mp-1039",
"created_at": "2022-09-04T14:42:40.680502Z",
"structure_string": "Mg2 Te2\n1.0\n2.305440 -3.993140 0.000000\n2.305440 3.993140 0.000000\n0.000000 0.000000 7.509375\nMg Te\n2 2\ndirect\n0.333333 0.666667 0.996891 Mg\n0.666667 0.333333 0.496891 Mg\n0.333333 0.666667 0.373109 Te\n0.666667 0.333333 0.873109 Te\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Te",
"density": 3.648791210911923,
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"volume": 138.26178168678,
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"formula_full": "Mg2 Te2",
"formula_reduced": "MgTe",
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"updated_at": "2021-11-28T01:35:48.366000Z",
"spacegroup": 186
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{
"id": "mp-1038993",
"created_at": "2022-09-04T14:47:26.109310Z",
"structure_string": "Ca2 Mg4\n1.0\n1.724812 6.535206 0.000000\n-1.724812 6.535206 0.000000\n0.000000 1.673392 7.750342\nCa Mg\n2 4\ndirect\n0.619103 0.619103 0.263195 Ca\n0.938473 0.938473 0.621400 Ca\n0.994245 0.994245 0.002229 Mg\n0.335842 0.335842 0.321219 Mg\n0.668683 0.668683 0.678392 Mg\n0.276988 0.276988 0.946898 Mg\n",
"nsites": 6,
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"volume": 174.72373688390016,
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"formula_full": "Ca2 Mg4",
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"updated_at": "2021-11-28T01:38:08.352000Z",
"spacegroup": 8
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{
"id": "mp-1038991",
"created_at": "2022-09-04T14:40:16.685194Z",
"structure_string": "Ca2 Mg4\n1.0\n1.722537 -2.983522 0.000000\n1.722537 2.983522 0.000000\n0.000000 0.000000 16.887299\nCa Mg\n2 4\ndirect\n0.666667 0.333333 0.095567 Ca\n0.333333 0.666667 0.904433 Ca\n0.333333 0.666667 0.265987 Mg\n0.666667 0.333333 0.422014 Mg\n0.333333 0.666667 0.577986 Mg\n0.666667 0.333333 0.734013 Mg\n",
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"volume": 173.57532714846212,
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"formula_full": "Ca2 Mg4",
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"updated_at": "2021-11-28T01:34:55.032000Z",
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{
"id": "mp-1038988",
"created_at": "2022-09-04T14:42:05.043655Z",
"structure_string": "Ce3 Mg1\n1.0\n3.254025 0.000000 0.000000\n0.000000 5.491523 0.000000\n0.000000 0.000000 5.938444\nCe Mg\n3 1\ndirect\n0.000000 0.000000 0.999594 Ce\n0.500000 0.000000 0.489627 Ce\n0.500000 0.500000 0.846316 Ce\n0.000000 0.500000 0.331129 Mg\n",
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"volume": 106.1173405679751,
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"spacegroup": 25
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{
"id": "mp-1038987",
"created_at": "2022-09-04T14:48:28.781555Z",
"structure_string": "Ca2 Mg10\n1.0\n5.259202 0.000000 0.000000\n0.000000 3.418626 0.000000\n0.000000 0.000000 17.283990\nCa Mg\n2 10\ndirect\n0.000000 0.500000 0.720624 Ca\n0.000000 0.000000 0.220624 Ca\n0.500000 0.000000 0.001845 Mg\n0.500000 -0.000000 0.659911 Mg\n0.500000 0.500000 0.837925 Mg\n0.000000 0.000000 0.895251 Mg\n0.000000 0.000000 0.551110 Mg\n0.500000 0.500000 0.501845 Mg\n0.500000 0.500000 0.159911 Mg\n0.500000 0.000000 0.337925 Mg\n0.000000 0.500000 0.395251 Mg\n0.000000 0.500000 0.051110 Mg\n",
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"volume": 310.7530855410294,
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"formula_full": "Ca2 Mg10",
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"updated_at": "2021-11-28T01:39:40.580000Z",
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{
"id": "mp-1038985",
"created_at": "2022-09-04T14:41:54.473000Z",
"structure_string": "Ca3 Mg1\n1.0\n3.775858 0.000000 0.000000\n0.000000 6.040953 0.000000\n0.000000 0.000000 6.417676\nCa Mg\n3 1\ndirect\n0.000000 0.000000 0.005175 Ca\n0.500000 0.000000 0.493553 Ca\n0.500000 0.500000 0.834538 Ca\n0.000000 0.500000 0.333401 Mg\n",
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"volume": 146.38578224499082,
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"updated_at": "2021-11-28T01:35:32.966000Z",
"spacegroup": 25
}
]
}