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"results": [
{
"id": "jvasp-86256",
"created_at": "2022-09-04T14:36:03.215282Z",
"updated_at": "2022-09-04T14:36:03.215309Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
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"formula_full": "Ti8 Mn2 Bi4",
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{
"id": "jvasp-68029",
"created_at": "2022-09-04T14:35:45.536765Z",
"updated_at": "2022-09-04T14:35:45.536793Z",
"structure_string": "Ti2 Mn1 Be1\n1.0\n-1.790632 1.790632 4.059946\n1.790632 -1.790632 4.059946\n1.790632 1.790632 -4.059946\nTi Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Mn\n0.500000 0.500000 0.000000 Be\n",
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"spacegroup": 119
},
{
"id": "jvasp-41799",
"created_at": "2022-09-04T14:37:32.372652Z",
"updated_at": "2022-09-04T14:37:32.372665Z",
"structure_string": "Ti2 Mn1 Be1\n1.0\n0.000001 2.958595 2.958595\n2.958602 -0.000000 2.958596\n2.958602 2.958596 0.000001\nTi Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500002 0.500000 0.500001 Ti\n0.750004 0.749997 0.749997 Mn\n0.250000 0.250000 0.250000 Be\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
"chemical_system": "Be-Mn-Ti",
"density": 5.1194527341157725,
"density_atomic": 0.0772275773728516,
"volume": 51.79496931113302,
"volume_molar": 7.797914896288082,
"formula_full": "Ti2 Mn1 Be1",
"formula_reduced": "Ti2MnBe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-66781",
"created_at": "2022-09-04T14:36:20.498097Z",
"updated_at": "2022-09-04T14:36:20.498125Z",
"structure_string": "Ti1 Mn1 Be2\n1.0\n-1.721518 1.721518 3.706192\n1.721518 -1.721518 3.706192\n1.721518 1.721518 -3.706192\nTi Mn Be\n1 1 2\ndirect\n0.750000 0.250000 0.500001 Ti\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Be"
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"chemical_system": "Be-Mn-Ti",
"density": 4.5667864850620035,
"density_atomic": 0.09104350098546975,
"volume": 43.93504156478327,
"volume_molar": 6.614575114989388,
"formula_full": "Ti1 Mn1 Be2",
"formula_reduced": "TiMnBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.933561943678161,
"spacegroup": 119
},
{
"id": "jvasp-100622",
"created_at": "2022-09-04T14:36:40.224093Z",
"updated_at": "2022-09-04T14:36:40.224108Z",
"structure_string": "Ti3 Mn3 As3\n1.0\n6.405151 0.000000 -0.000000\n-3.202575 5.547024 0.000000\n0.000000 -0.000000 3.522364\nTi Mn As\n3 3 3\ndirect\n0.588776 -0.000000 0.000000 Ti\n-0.000001 0.588775 0.000000 Ti\n0.411224 0.411224 0.000000 Ti\n0.248570 -0.000000 0.499999 Mn\n-0.000000 0.248569 0.499999 Mn\n0.751429 0.751430 0.499999 Mn\n0.333332 0.666666 0.499999 As\n0.666666 0.333333 0.499999 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"As"
],
"chemical_system": "As-Mn-Ti",
"density": 7.07455689332535,
"density_atomic": 0.07191489622890802,
"volume": 125.14792444881844,
"volume_molar": 8.373982409473667,
"formula_full": "Ti3 Mn3 As3",
"formula_reduced": "TiMnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.869999108237548,
"spacegroup": 189
},
{
"id": "jvasp-37048",
"created_at": "2022-09-04T14:38:03.196664Z",
"updated_at": "2022-09-04T14:38:03.196684Z",
"structure_string": "Ti2 Mn1 Al1\n1.0\n3.063638 3.063638 -0.000000\n3.063638 -0.000000 -3.063638\n-0.000000 3.063638 -3.063638\nTi Mn Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
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"elements": [
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"Al"
],
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"density": 5.129567288818941,
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"volume": 57.50986375250603,
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"formula_full": "Ti2 Mn1 Al1",
"formula_reduced": "Ti2MnAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.343216677011494,
"spacegroup": 216
},
{
"id": "jvasp-41631",
"created_at": "2022-09-04T14:37:36.829836Z",
"updated_at": "2022-09-04T14:37:36.829860Z",
"structure_string": "Ti1 Mn2 Al1\n1.0\n-0.000000 2.972353 2.972353\n2.972353 -0.000000 2.972353\n2.972353 2.972353 -0.000000\nTi Mn Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250001 0.250001 0.250001 Al\n",
"nsites": 4,
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"elements": [
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"Al"
],
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"density": 5.840402087158493,
"density_atomic": 0.07616033388202105,
"volume": 52.52077815462766,
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"formula_full": "Ti1 Mn2 Al1",
"formula_reduced": "TiMn2Al",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79402",
"created_at": "2022-09-04T14:36:48.995461Z",
"updated_at": "2022-09-04T14:36:48.995474Z",
"structure_string": "Ti2 Ir1 W1\n1.0\n-0.000000 3.127384 3.127384\n3.127384 -0.000000 3.127384\n3.127384 3.127384 0.000000\nTi Ir W\n2 1 1\ndirect\n0.499998 0.499998 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.249999 0.249999 0.249999 Ir\n0.749999 0.749999 0.749999 W\n",
"nsites": 4,
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"elements": [
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"Ir",
"W"
],
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"density": 12.806342831368204,
"density_atomic": 0.06538624024448778,
"volume": 61.17495034189873,
"volume_molar": 9.210104048623107,
"formula_full": "Ti2 Ir1 W1",
"formula_reduced": "Ti2IrW",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.897911941666667,
"spacegroup": 225
},
{
"id": "jvasp-102131",
"created_at": "2022-09-04T14:36:42.024473Z",
"updated_at": "2022-09-04T14:36:42.024495Z",
"structure_string": "Ti2 Ir1 Ru1\n1.0\n3.789493 0.000000 2.187865\n1.263164 3.572768 2.187865\n0.000000 0.000000 4.375730\nTi Ir Ru\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Ti\n0.749998 0.750000 0.749999 Ti\n0.499999 0.500000 0.499999 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Ir",
"Ru"
],
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"density": 10.903996459642302,
"density_atomic": 0.06751861883980573,
"volume": 59.242918008888424,
"volume_molar": 8.919229782066626,
"formula_full": "Ti2 Ir1 Ru1",
"formula_reduced": "Ti2IrRu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79401",
"created_at": "2022-09-04T14:36:48.878911Z",
"updated_at": "2022-09-04T14:36:48.878933Z",
"structure_string": "Ti2 Ir1 Rh1\n1.0\n-0.000000 3.110652 3.110652\n3.110652 0.000000 3.110652\n3.110652 3.110652 -0.000000\nTi Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.250001 0.250001 0.250001 Ir\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ti2 Ir1 Rh1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-77098",
"created_at": "2022-09-04T14:37:09.149560Z",
"updated_at": "2022-09-04T14:37:09.149579Z",
"structure_string": "Ti2 Ir1 Os1\n1.0\n-10.196932 2.042824 -2.551283\n-7.234359 1.203322 0.709492\n-6.391071 3.588497 -0.751124\nTi Ir Os\n2 1 1\ndirect\n0.744896 0.004077 0.004075 Ti\n0.255073 -0.004045 -0.004046 Ti\n0.500036 -0.000028 -0.000029 Ir\n-0.000005 -0.000002 -0.000002 Os\n",
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"volume": 61.42625058029985,
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"formula_full": "Ti2 Ir1 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-81585",
"created_at": "2022-09-04T14:36:51.335266Z",
"updated_at": "2022-09-04T14:36:51.335285Z",
"structure_string": "Ti2 Ir1 Os1\n1.0\n-8.430531 0.000001 -4.867370\n-5.595785 0.266016 -0.042556\n-4.800839 2.514460 -1.419441\nTi Ir Os\n2 1 1\ndirect\n0.750282 -0.000000 -0.000000 Ti\n0.249718 -0.000000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Ir\n0.000000 0.000000 0.000000 Os\n",
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"formula_full": "Ti2 Ir1 Os1",
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"spacegroup": 71
}
]
}