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{
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{
"id": "jvasp-105516",
"created_at": "2022-09-04T14:38:45.613074Z",
"updated_at": "2022-09-04T14:38:45.613100Z",
"structure_string": "Er2 Mn2 Al2\n1.0\n4.627220 0.015635 -2.447817\n-1.637119 4.222951 -2.624831\n0.099222 -0.015635 5.233844\nEr Mn Al\n2 2 2\ndirect\n0.137315 0.887315 0.250000 Er\n0.862684 0.112684 0.749999 Er\n0.500000 -0.000001 -0.000001 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 0.500000 0.500000 Al\n0.500000 0.499999 -0.000001 Al\n",
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{
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"structure_string": "Er2 Mn3 Sb3 O14\n1.0\n6.238309 -0.021754 3.398148\n1.978289 5.916362 3.398148\n-0.023640 -0.016960 7.211651\nEr Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.414885 0.833007 0.327696 O\n0.822955 0.433422 0.907778 O\n0.405195 0.405195 0.354722 O\n0.830509 0.830509 0.939732 O\n0.166993 0.585115 0.672304 O\n0.566579 0.177045 0.092222 O\n0.169491 0.169492 0.060268 O\n0.177045 0.566579 0.092222 O\n0.594805 0.594805 0.645278 O\n0.433422 0.822955 0.907778 O\n0.116695 0.116695 0.628871 O\n0.883305 0.883305 0.371129 O\n0.585115 0.166993 0.672304 O\n0.833007 0.414886 0.327696 O\n",
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"elements": [
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],
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"density_atomic": 0.08233496212709492,
"volume": 267.20119171294556,
"volume_molar": 7.314196307886835,
"formula_full": "Er2 Mn3 Sb3 O14",
"formula_reduced": "Er2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
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{
"id": "jvasp-54868",
"created_at": "2022-09-04T14:37:55.490607Z",
"updated_at": "2022-09-04T14:37:55.490628Z",
"structure_string": "Er2 Mn4\n1.0\n4.376444 -0.000000 2.526741\n1.458815 4.126151 2.526741\n-0.000000 0.000000 5.053482\nEr Mn\n2 4\ndirect\n0.125000 0.125000 0.125000 Er\n0.874998 0.875000 0.875000 Er\n0.499999 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n-0.000001 0.500000 0.500000 Mn\n",
"nsites": 6,
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"elements": [
"Er",
"Mn"
],
"chemical_system": "Er-Mn",
"density": 10.085870678212105,
"density_atomic": 0.06574973916042882,
"volume": 91.25511487368868,
"volume_molar": 9.159185780655381,
"formula_full": "Er2 Mn4",
"formula_reduced": "ErMn2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"C"
],
"chemical_system": "C-Er-Mn-Si",
"density": 7.81256958029276,
"density_atomic": 0.07415471803881017,
"volume": 134.8531862094914,
"volume_molar": 8.12104869288048,
"formula_full": "Er2 Mn4 Si2 C2",
"formula_reduced": "ErMn2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-94864",
"created_at": "2022-09-04T14:36:03.207297Z",
"updated_at": "2022-09-04T14:36:03.207314Z",
"structure_string": "Er2 Mo2 C3\n1.0\n0.000000 3.367859 0.000000\n0.171817 0.000000 5.648936\n5.299020 -1.683929 -1.932619\nEr Mo C\n2 2 3\ndirect\n0.614381 0.820007 0.228762 Er\n0.385619 0.179993 0.771239 Er\n0.851007 0.629656 0.702014 Mo\n0.148994 0.370345 0.297987 Mo\n0.000000 0.500000 0.000000 C\n0.270325 0.744350 0.540651 C\n0.729675 0.255651 0.459350 C\n",
"nsites": 7,
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"elements": [
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"density": 9.162424780797481,
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"volume": 101.93122187906857,
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"formula_full": "Er2 Mo2 C3",
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"spacegroup": 12
},
{
"id": "jvasp-15266",
"created_at": "2022-09-04T14:36:01.637105Z",
"updated_at": "2022-09-04T14:36:01.637132Z",
"structure_string": "Er2 Mo2 C3\n1.0\n3.194594 0.000000 -0.912013\n-0.568730 5.280676 -1.992145\n-0.004899 -0.016802 6.033845\nEr Mo C\n2 2 3\ndirect\n0.389553 0.174041 0.779108 Er\n0.610446 0.825960 0.220895 Er\n0.155766 0.327285 0.311533 Mo\n0.844233 0.672716 0.688469 Mo\n0.751631 0.263757 0.503265 C\n0.248367 0.736244 0.496738 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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],
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"density": 9.187826691846968,
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"volume": 101.64940900664737,
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"formula_full": "Er2 Mo2 C3",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 12
},
{
"id": "jvasp-119714",
"created_at": "2022-09-04T14:38:52.265074Z",
"updated_at": "2022-09-04T14:38:52.265103Z",
"structure_string": "Er2 Mo2 Cl2 O8\n1.0\n6.039721 0.016186 1.521731\n1.752282 5.779965 1.521731\n0.006226 0.004631 6.805161\nEr Mo Cl O\n2 2 2 8\ndirect\n0.778350 0.778350 0.108869 Er\n0.221650 0.221649 0.891130 Er\n0.362579 0.362579 0.269733 Mo\n0.637421 0.637421 0.730267 Mo\n0.990983 0.990983 0.762185 Cl\n0.009017 0.009017 0.237815 Cl\n0.490864 0.107802 0.154176 O\n0.509136 0.892197 0.845823 O\n0.892198 0.509136 0.845823 O\n0.456353 0.456352 0.800219 O\n0.705212 0.705212 0.462170 O\n0.107802 0.490864 0.154177 O\n0.294788 0.294788 0.537830 O\n0.543648 0.543647 0.199781 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Er",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Er-Mo-O",
"density": 5.07567742689766,
"density_atomic": 0.059000508340245804,
"volume": 237.2860911513576,
"volume_molar": 10.206930295026185,
"formula_full": "Er2 Mo2 Cl2 O8",
"formula_reduced": "ErMoClO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 12
},
{
"id": "jvasp-57352",
"created_at": "2022-09-04T14:37:43.102508Z",
"updated_at": "2022-09-04T14:37:43.102529Z",
"structure_string": "Er2 Mo2 Cl2 O8\n1.0\n6.045192 0.006688 1.519974\n1.764959 5.781808 1.519974\n0.013349 0.009894 6.813846\nEr Mo Cl O\n2 2 2 8\ndirect\n0.221791 0.221790 0.890903 Er\n0.778209 0.778210 0.109097 Er\n0.637471 0.637470 0.730273 Mo\n0.362529 0.362529 0.269727 Mo\n0.009031 0.009030 0.236977 Cl\n0.990969 0.990969 0.763023 Cl\n0.509221 0.892334 0.845601 O\n0.490779 0.107666 0.154399 O\n0.107666 0.490779 0.154399 O\n0.543706 0.543706 0.199277 O\n0.294987 0.294987 0.537900 O\n0.892334 0.509221 0.845601 O\n0.705013 0.705013 0.462100 O\n0.456294 0.456294 0.800722 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-50480",
"created_at": "2022-09-04T14:37:10.600823Z",
"updated_at": "2022-09-04T14:37:10.600844Z",
"structure_string": "Er2 Nb2 O8\n1.0\n0.000000 5.118427 0.087751\n5.411896 0.000000 0.000000\n0.000000 -0.418530 -5.303444\nEr Nb O\n2 2 8\ndirect\n-0.000000 0.241542 0.250000 Er\n-0.000000 0.758458 0.749999 Er\n0.500000 0.708104 0.250000 Nb\n0.500000 0.291897 0.749999 Nb\n0.249679 0.928307 0.089696 O\n0.259745 0.442529 0.979836 O\n0.740256 0.442529 0.520163 O\n0.750322 0.928307 0.410304 O\n0.249679 0.071694 0.589696 O\n0.259745 0.557472 0.479836 O\n0.740256 0.557472 0.020164 O\n0.750322 0.071694 0.910303 O\n",
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],
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"density": 7.338149338032215,
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"volume": 146.70873198114006,
"volume_molar": 7.362505289262827,
"formula_full": "Er2 Nb2 O8",
"formula_reduced": "ErNbO4",
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"spacegroup": 13
},
{
"id": "jvasp-9712",
"created_at": "2022-09-04T14:36:46.802936Z",
"updated_at": "2022-09-04T14:36:46.802960Z",
"structure_string": "Er2 Nb2 O8\n1.0\n4.773666 0.014043 -1.835586\n-1.194657 4.747572 -1.993196\n-0.025477 -0.003261 6.520145\nEr Nb O\n2 2 8\ndirect\n0.378412 0.628412 0.756822 Er\n0.621588 0.371587 0.243176 Er\n0.858163 0.108163 0.716325 Nb\n0.141836 0.891837 0.283673 Nb\n0.991494 0.781047 0.562881 O\n0.571389 0.281836 0.562882 O\n0.008506 0.218953 0.437117 O\n0.428611 0.718163 0.437116 O\n0.214981 0.376584 0.925478 O\n0.710497 0.048894 0.925478 O\n0.785018 0.623415 0.074520 O\n0.289502 0.951106 0.074520 O\n",
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{
"id": "jvasp-91396",
"created_at": "2022-09-04T14:35:44.130290Z",
"updated_at": "2022-09-04T14:35:44.130307Z",
"structure_string": "Er2 Ni12 P7\n1.0\n9.069606 0.000000 -0.000000\n-4.534801 7.854510 0.000000\n0.000000 0.000000 3.689988\nEr Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.906473 0.122792 0.500000 Ni\n0.877208 0.783681 0.500000 Ni\n0.216320 0.093527 0.500000 Ni\n0.049913 0.617747 0.500000 Ni\n0.382254 0.432167 0.500000 Ni\n0.567834 0.950087 0.500000 Ni\n0.121934 0.846769 0.000000 Ni\n0.153231 0.275165 0.000000 Ni\n0.937654 0.372383 0.000000 Ni\n0.627618 0.565270 0.000000 Ni\n0.434730 0.062347 0.000000 Ni\n0.724836 0.878067 0.000000 Ni\n0.593943 0.705899 0.500000 P\n0.408782 0.295096 0.000000 P\n0.886315 0.591218 0.000000 P\n0.704905 0.113686 0.000000 P\n0.111955 0.406057 0.500000 P\n0.294102 0.888045 0.500000 P\n0.000000 0.000000 0.000000 P\n",
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],
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{
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"created_at": "2022-09-04T14:37:36.165935Z",
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"structure_string": "Er2 Ni1 Ir1\n1.0\n0.000000 3.360166 3.360166\n3.360166 0.000000 3.360166\n3.360166 3.360166 -0.000000\nEr Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500001 0.500001 0.500001 Er\n0.750000 0.750000 0.750000 Ni\n0.249999 0.249999 0.249999 Ir\n",
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"formula_full": "Er2 Ni1 Ir1",
"formula_reduced": "Er2NiIr",
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"spacegroup": 225
}
]
}