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{
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{
"id": "mp-999540",
"created_at": "2022-09-04T14:42:25.348682Z",
"structure_string": "Mn2 Se2\n1.0\n2.102293 -3.641278 0.000000\n2.102293 3.641278 0.000000\n0.000000 0.000000 6.839229\nMn Se\n2 2\ndirect\n0.666667 0.333333 0.499884 Mn\n0.333333 0.666667 0.999884 Mn\n0.666667 0.333333 0.876116 Se\n0.333333 0.666667 0.376116 Se\n",
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{
"id": "mp-999542",
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"structure_string": "Mn1 Fe3\n1.0\n2.827695 0.000000 0.000000\n0.000000 2.827695 0.000000\n0.000000 0.000000 5.693852\nMn Fe\n1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.747267 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.252733 Fe\n",
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"spacegroup": 123
},
{
"id": "mp-999543",
"created_at": "2022-09-04T14:42:03.014890Z",
"structure_string": "Mn1 Co3\n1.0\n3.502105 0.000000 0.000000\n0.000000 3.502105 0.000000\n0.000000 0.000000 3.502105\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"elements": [
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"density": 8.958971802910327,
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"formula_full": "Mn1 Co3",
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"updated_at": "2021-11-28T01:35:44.685000Z",
"spacegroup": 221
},
{
"id": "mp-999544",
"created_at": "2022-09-04T14:45:20.309807Z",
"structure_string": "Y1 Ag2\n1.0\n-1.883551 1.883551 4.625565\n1.883551 -1.883551 4.625565\n1.883551 1.883551 -4.625565\nY Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.669293 0.669293 0.000000 Ag\n0.330707 0.330707 0.000000 Ag\n",
"nsites": 3,
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"elements": [
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"Ag"
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"chemical_system": "Ag-Y",
"density": 7.706544393067641,
"density_atomic": 0.04570268417228441,
"volume": 65.6416587850938,
"volume_molar": 13.176776964124182,
"formula_full": "Y1 Ag2",
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"energy": -13.11300965,
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"updated_at": "2021-11-28T01:36:57.031000Z",
"spacegroup": 139
},
{
"id": "mp-999545",
"created_at": "2022-09-04T14:46:18.719040Z",
"structure_string": "Mn3 Fe1\n1.0\n5.060025 0.000000 0.000000\n0.000000 2.536337 0.000000\n0.000000 0.000000 3.512914\nMn Fe\n3 1\ndirect\n0.500000 0.000000 0.000000 Mn\n0.752784 0.500000 0.500000 Mn\n0.247216 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.1272547155484,
"density_atomic": 0.08872231264084314,
"volume": 45.084487553794986,
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"formula_full": "Mn3 Fe1",
"formula_reduced": "Mn3Fe",
"formula_anonymous": "AB3",
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"spacegroup": 47
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{
"id": "mp-999549",
"created_at": "2022-09-04T14:43:03.278751Z",
"structure_string": "W1 N2\n1.0\n1.465430 -2.538199 0.000000\n1.465430 2.538199 0.000000\n0.000000 0.000000 3.919142\nW N\n1 2\ndirect\n0.666667 0.333333 0.500000 W\n0.000000 0.000000 0.818749 N\n0.000000 0.000000 0.181251 N\n",
"nsites": 3,
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"elements": [
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"N"
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"density": 12.066263193174002,
"density_atomic": 0.10289861114564926,
"volume": 29.154912457988463,
"volume_molar": 5.852499555582804,
"formula_full": "W1 N2",
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"formula_anonymous": "AB2",
"energy": -31.156095800000003,
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"band_gap": 1.0654000000000003,
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"total_magnetization": 0.0001054,
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"updated_at": "2021-11-28T01:35:59.128000Z",
"spacegroup": 187
},
{
"id": "mp-999550",
"created_at": "2022-09-04T14:42:58.506134Z",
"structure_string": "Mn3 Ga1\n1.0\n0.000000 2.879977 2.879977\n2.879977 0.000000 2.879977\n2.879977 2.879977 0.000000\nMn Ga\n3 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ga"
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"density": 8.151990393940475,
"density_atomic": 0.08372650010147463,
"volume": 47.77459938194109,
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"formula_full": "Mn3 Ga1",
"formula_reduced": "Mn3Ga",
"formula_anonymous": "AB3",
"energy": -30.44982077,
"energy_per_atom": -7.6124551925,
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"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:55.802000Z",
"spacegroup": 225
},
{
"id": "mp-999552",
"created_at": "2022-09-04T14:40:02.955580Z",
"structure_string": "Mn1 Ga1 Fe1 Co1\n1.0\n2.858047 2.858047 0.000000\n2.858047 0.000000 -2.858047\n0.000000 2.858047 -2.858047\nMn Ga Fe Co\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"elements": [
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"Ga",
"Fe",
"Co"
],
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"density": 8.51542499462186,
"density_atomic": 0.08566864473267913,
"volume": 46.69152888412815,
"volume_molar": 7.029573980995635,
"formula_full": "Mn1 Ga1 Fe1 Co1",
"formula_reduced": "MnGaFeCo",
"formula_anonymous": "ABCD",
"energy": -28.30571739,
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"spacegroup": 216
},
{
"id": "mp-999557",
"created_at": "2022-09-04T14:42:17.325947Z",
"structure_string": "Mn2 Sn1 Ru1\n1.0\n0.000000 3.140670 3.140670\n3.140670 0.000000 3.140670\n3.140670 3.140670 0.000000\nMn Sn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"density": 8.835136969176613,
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"volume": 61.957932049877535,
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"formula_full": "Mn2 Sn1 Ru1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:48.259000Z",
"spacegroup": 216
},
{
"id": "mp-999558",
"created_at": "2022-09-04T14:44:28.913478Z",
"structure_string": "Mn2 Si1 Ni1\n1.0\n0.000000 2.830947 2.830947\n2.830947 0.000000 2.830947\n2.830947 2.830947 0.000000\nMn Si Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Ni\n",
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"density": 7.1966247229825315,
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"volume": 45.37589579931538,
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"formula_full": "Mn2 Si1 Ni1",
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"updated_at": "2021-11-28T01:36:39.348000Z",
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{
"id": "mp-999566",
"created_at": "2022-09-04T14:39:15.998363Z",
"structure_string": "Mn2 Cu1 Sb1\n1.0\n0.000000 3.113861 3.113861\n3.113861 0.000000 3.113861\n3.113861 3.113861 0.000000\nMn Cu Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Cu\n0.750000 0.750000 0.750000 Sb\n",
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"density": 8.117297043026618,
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"formula_full": "Mn2 Cu1 Sb1",
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"updated_at": "2021-11-28T01:34:36.417000Z",
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{
"id": "mp-999576",
"created_at": "2022-09-04T14:41:21.458512Z",
"structure_string": "Mn2 Si1 Ru1\n1.0\n2.897557 2.897557 0.000000\n2.897557 0.000000 -2.897557\n0.000000 2.897557 -2.897557\nMn Si Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Si\n0.500000 0.500000 0.500000 Ru\n",
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"updated_at": "2021-11-28T01:35:21.677000Z",
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]
}