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{
"id": "jvasp-39725",
"created_at": "2022-09-04T14:37:41.136762Z",
"updated_at": "2022-09-04T14:37:41.136771Z",
"structure_string": "Ti2 Mn1 Os1\n1.0\n-0.000001 3.041038 3.041033\n3.041036 0.000000 3.041032\n3.041034 3.041034 0.000002\nTi Mn Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 Ti\n0.249999 0.250001 0.250000 Mn\n0.750000 0.750000 0.750000 Os\n",
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{
"id": "jvasp-39684",
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"structure_string": "Ti2 Mn1 Ni1\n1.0\n-0.000000 2.978870 2.978870\n2.978870 0.000000 2.978870\n2.978870 2.978870 0.000000\nTi Mn Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500001 Ti\n0.250000 0.250000 0.250000 Mn\n0.750001 0.750001 0.750001 Ni\n",
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"volume": 52.86699771608621,
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"formula_full": "Ti2 Mn1 Ni1",
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{
"id": "jvasp-41654",
"created_at": "2022-09-04T14:37:37.979764Z",
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"structure_string": "Ti2 Mn1 Ir1\n1.0\n-0.000000 3.040877 3.040877\n3.040877 -0.000000 3.040877\n3.040877 3.040877 0.000000\nTi Mn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750002 0.750002 0.750002 Mn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"Mn",
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"density": 10.124559814221127,
"density_atomic": 0.071126826878181,
"volume": 56.237571329462014,
"volume_molar": 8.466764263664015,
"formula_full": "Ti2 Mn1 Ir1",
"formula_reduced": "Ti2MnIr",
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"spacegroup": 225
},
{
"id": "jvasp-35696",
"created_at": "2022-09-04T14:37:28.122792Z",
"updated_at": "2022-09-04T14:37:28.122816Z",
"structure_string": "Ti2 Mn1 In1\n1.0\n3.162394 3.162394 0.000000\n3.162394 0.000000 -3.162394\n0.000000 3.162394 -3.162394\nTi Mn In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
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"elements": [
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"Mn",
"In"
],
"chemical_system": "In-Mn-Ti",
"density": 6.969785472323244,
"density_atomic": 0.06323857332705435,
"volume": 63.252533850075714,
"volume_molar": 9.522891556795516,
"formula_full": "Ti2 Mn1 In1",
"formula_reduced": "Ti2MnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8602209695114937,
"spacegroup": 216
},
{
"id": "jvasp-35676",
"created_at": "2022-09-04T14:37:32.914824Z",
"updated_at": "2022-09-04T14:37:32.914844Z",
"structure_string": "Ti2 Mn1 Ge1\n1.0\n3.047220 3.047220 0.000000\n3.047220 0.000000 -3.047220\n-0.000000 3.047220 -3.047220\nTi Mn Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ti",
"density": 6.552692983015612,
"density_atomic": 0.07068358451407539,
"volume": 56.59022568675009,
"volume_molar": 8.519857618144417,
"formula_full": "Ti2 Mn1 Ge1",
"formula_reduced": "Ti2MnGe",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-79540",
"created_at": "2022-09-04T14:38:01.122170Z",
"updated_at": "2022-09-04T14:38:01.122198Z",
"structure_string": "Ti2 Mn1 Ga1\n1.0\n-3.041998 -3.041998 0.000000\n-3.041998 0.000000 -3.041998\n0.000000 -3.041998 -3.041998\nTi Mn Ga\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 Ga\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ga"
],
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"density": 6.500460977866578,
"density_atomic": 0.0710482234791223,
"volume": 56.299789130905005,
"volume_molar": 8.4761313726157,
"formula_full": "Ti2 Mn1 Ga1",
"formula_reduced": "Ti2MnGa",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-40935",
"created_at": "2022-09-04T14:37:49.939564Z",
"updated_at": "2022-09-04T14:37:49.939595Z",
"structure_string": "Ti2 Mn1 Co1\n1.0\n0.000000 2.957997 2.957997\n2.957997 -0.000000 2.957997\n2.957997 2.957997 -0.000000\nTi Mn Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750001 0.750001 0.750001 Mn\n0.250001 0.250001 0.250001 Co\n",
"nsites": 4,
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"elements": [
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"Mn",
"Co"
],
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"density": 6.7240053410635285,
"density_atomic": 0.07727460754105167,
"volume": 51.76344632840774,
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"formula_full": "Ti2 Mn1 Co1",
"formula_reduced": "Ti2MnCo",
"formula_anonymous": "ABC2",
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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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"density": 5.092349309435401,
"density_atomic": 0.07681871886095948,
"volume": 52.07064188664653,
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"formula_full": "Ti2 Mn1 Be1",
"formula_reduced": "Ti2MnBe",
"formula_anonymous": "ABC2",
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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",
"Be"
],
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"density": 5.1194527341157725,
"density_atomic": 0.0772275773728516,
"volume": 51.79496931113302,
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"formula_full": "Ti2 Mn1 Be1",
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"spacegroup": 225
},
{
"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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"Al"
],
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"density_atomic": 0.06955328597567226,
"volume": 57.50986375250603,
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"formula_full": "Ti2 Mn1 Al1",
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"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-19634",
"created_at": "2022-09-04T14:37:54.917295Z",
"updated_at": "2022-09-04T14:37:54.917319Z",
"structure_string": "Ti2 Ir2\n1.0\n3.492672 -0.000000 0.000000\n-0.000000 4.155674 0.000000\n0.000000 0.000000 4.155674\nTi Ir\n2 2\ndirect\n0.500000 0.499999 0.000000 Ti\n0.500000 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 13.219090214792306,
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"volume": 60.31714055774876,
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"formula_full": "Ti2 Ir2",
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"spacegroup": 123
},
{
"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",
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]
}