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{
"id": "jvasp-38353",
"created_at": "2022-09-04T14:37:41.938617Z",
"updated_at": "2022-09-04T14:37:41.938626Z",
"structure_string": "Mn3 Hg1\n1.0\n3.988763 0.000000 -0.000000\n0.000000 3.988763 0.000000\n-0.000000 0.000000 3.988763\nMn Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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{
"id": "jvasp-100211",
"created_at": "2022-09-04T14:36:18.762468Z",
"updated_at": "2022-09-04T14:36:18.762489Z",
"structure_string": "Mn1 Hg3\n1.0\n4.407867 -0.000000 0.000000\n0.000000 4.407867 -0.000000\n0.000000 0.000000 4.407867\nMn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
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{
"id": "jvasp-20631",
"created_at": "2022-09-04T14:38:06.523910Z",
"updated_at": "2022-09-04T14:38:06.523922Z",
"structure_string": "Mn1 Hg1\n1.0\n3.306368 0.000000 0.000000\n0.000000 3.306368 0.000000\n0.000000 0.000000 3.306368\nMn Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Hg\n",
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"density": 11.739081088029637,
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"volume": 36.14544427732907,
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"formula_full": "Mn1 Hg1",
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"spacegroup": 221
},
{
"id": "jvasp-2035",
"created_at": "2022-09-04T14:36:35.340348Z",
"updated_at": "2022-09-04T14:36:35.340364Z",
"structure_string": "Mn1 I2\n1.0\n2.063567 -3.574203 0.000000\n2.063567 3.574203 0.000000\n0.000000 0.000000 6.806683\nMn I\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.756204 I\n0.666668 0.333334 0.243796 I\n",
"nsites": 3,
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"elements": [
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"chemical_system": "I-Mn",
"density": 5.106090556780278,
"density_atomic": 0.029878441802627494,
"volume": 100.40684249257542,
"volume_molar": 20.155471291914616,
"formula_full": "Mn1 I2",
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"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-8018",
"created_at": "2022-09-04T14:36:35.922243Z",
"updated_at": "2022-09-04T14:36:35.922269Z",
"structure_string": "Mn2 Ir2\n1.0\n3.658031 0.000000 0.000000\n0.000000 3.764966 0.000000\n0.000000 0.000000 3.764966\nMn Ir\n2 2\ndirect\n0.500000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Mn",
"density": 15.829932906936875,
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"volume": 51.85247595710705,
"volume_molar": 7.806572724205361,
"formula_full": "Mn2 Ir2",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.884284170689656,
"spacegroup": 123
},
{
"id": "jvasp-41259",
"created_at": "2022-09-04T14:37:35.352193Z",
"updated_at": "2022-09-04T14:37:35.352220Z",
"structure_string": "Mn2 Ir6\n1.0\n2.714051 -4.700874 0.000000\n2.714051 4.700874 -0.000000\n0.000000 -0.000000 4.298805\nMn Ir\n2 6\ndirect\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.660437 0.830219 0.250000 Ir\n0.169781 0.830219 0.250000 Ir\n0.169781 0.339562 0.250000 Ir\n0.339562 0.169781 0.749999 Ir\n0.830219 0.169781 0.749999 Ir\n0.830219 0.660437 0.749999 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ir"
],
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"density": 19.12226470069751,
"density_atomic": 0.0729315814636243,
"volume": 109.69184870878081,
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"formula_full": "Mn2 Ir6",
"formula_reduced": "MnIr3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-51507",
"created_at": "2022-09-04T14:37:31.026210Z",
"updated_at": "2022-09-04T14:37:31.026241Z",
"structure_string": "Mn4 N1\n1.0\n4.268459 -0.000000 0.000000\n0.000000 4.268399 0.000000\n0.000000 0.000000 4.268440\nMn N\n4 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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"density": 4.991279734764161,
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"volume": 77.76878336453373,
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"formula_full": "Mn4 N1",
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"formula_anonymous": "AB4",
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"spacegroup": 221
},
{
"id": "jvasp-8114",
"created_at": "2022-09-04T14:37:01.023511Z",
"updated_at": "2022-09-04T14:37:01.023538Z",
"structure_string": "Mn1 N1\n1.0\n2.519898 -0.018567 -1.439573\n-1.666669 2.375772 -0.022938\n-0.013025 0.018567 2.902083\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000001 0.500000 0.499999 N\n",
"nsites": 2,
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"elements": [
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"N"
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"density": 6.623332262713347,
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"volume": 17.285172775308475,
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"formula_full": "Mn1 N1",
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"spacegroup": 225
},
{
"id": "jvasp-93295",
"created_at": "2022-09-04T14:36:09.559643Z",
"updated_at": "2022-09-04T14:36:09.559659Z",
"structure_string": "Mn3 N2\n1.0\n-2.020383 -2.020383 -0.000000\n-2.020383 2.020383 0.000000\n2.020383 0.000000 -5.966708\nMn N\n3 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.331224 0.331224 0.662449 Mn\n0.668775 0.668775 0.337552 Mn\n0.159724 0.159724 0.319449 N\n0.840276 0.840276 0.680552 N\n",
"nsites": 5,
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"elements": [
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"density": 6.5733378659105695,
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"volume": 48.71157721014597,
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"formula_full": "Mn3 N2",
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"formula_anonymous": "A2B3",
"energy_above_hull": 4.853727644827585,
"spacegroup": 139
},
{
"id": "jvasp-16862",
"created_at": "2022-09-04T14:38:00.648781Z",
"updated_at": "2022-09-04T14:38:00.648793Z",
"structure_string": "Mn3 N2\n1.0\n2.782694 -0.000000 -0.648226\n-0.151004 2.778594 -0.648226\n0.000610 0.000645 6.299483\nMn N\n3 2\ndirect\n0.668774 0.668773 0.337547 Mn\n0.331226 0.331227 0.662452 Mn\n0.000000 0.000000 0.000000 Mn\n0.840275 0.840275 0.680551 N\n0.159725 0.159725 0.319448 N\n",
"nsites": 5,
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"elements": [
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"formula_full": "Mn3 N2",
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"spacegroup": 139
},
{
"id": "jvasp-78283",
"created_at": "2022-09-04T14:36:32.504908Z",
"updated_at": "2022-09-04T14:36:32.504933Z",
"structure_string": "Mn1 N1\n1.0\n2.520832 -0.000000 0.000000\n-0.000000 2.520832 -0.000000\n0.000000 -0.000000 2.520832\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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{
"id": "jvasp-78284",
"created_at": "2022-09-04T14:36:32.829783Z",
"updated_at": "2022-09-04T14:36:32.829803Z",
"structure_string": "Mn1 N1\n1.0\n-2.129315 -2.129315 0.000000\n-2.129315 0.000000 -2.129315\n0.000000 -2.129315 -2.129315\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750002 0.750002 0.750002 N\n",
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}