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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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{
"id": "jvasp-40935",
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"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",
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"elements": [
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],
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"volume": 51.76344632840774,
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"formula_full": "Ti2 Mn1 Co1",
"formula_reduced": "Ti2MnCo",
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{
"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"
],
"chemical_system": "Ga-Mn-Ti",
"density": 6.500460977866578,
"density_atomic": 0.0710482234791223,
"volume": 56.299789130905005,
"volume_molar": 8.4761313726157,
"formula_full": "Ti2 Mn1 Ga1",
"formula_reduced": "Ti2MnGa",
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"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,
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"elements": [
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"Mn",
"Ge"
],
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"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",
"energy_above_hull": 3.107154964511494,
"spacegroup": 216
},
{
"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": [
"Ti",
"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-41654",
"created_at": "2022-09-04T14:37:37.979764Z",
"updated_at": "2022-09-04T14:37:37.979790Z",
"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",
"Ir"
],
"chemical_system": "Ir-Mn-Ti",
"density": 10.124559814221127,
"density_atomic": 0.071126826878181,
"volume": 56.237571329462014,
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"formula_full": "Ti2 Mn1 Ir1",
"formula_reduced": "Ti2MnIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39684",
"created_at": "2022-09-04T14:37:48.701928Z",
"updated_at": "2022-09-04T14:37:48.701946Z",
"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",
"nsites": 4,
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"elements": [
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"Mn",
"Ni"
],
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"density": 6.576115831007533,
"density_atomic": 0.07566156908476934,
"volume": 52.86699771608621,
"volume_molar": 7.95931254512174,
"formula_full": "Ti2 Mn1 Ni1",
"formula_reduced": "Ti2MnNi",
"formula_anonymous": "ABC2",
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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",
"nsites": 4,
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"elements": [
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"Mn",
"Os"
],
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"density_atomic": 0.071115787829802,
"volume": 56.246300885719045,
"volume_molar": 8.468078529077818,
"formula_full": "Ti2 Mn1 Os1",
"formula_reduced": "Ti2MnOs",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-77506",
"created_at": "2022-09-04T14:37:08.107605Z",
"updated_at": "2022-09-04T14:37:08.107640Z",
"structure_string": "Ti2 Mn1 Pt1\n1.0\n-8.212823 0.000001 -4.741677\n-5.460734 0.256131 -0.025083\n-4.678594 2.468358 -1.379790\nTi Mn Pt\n2 1 1\ndirect\n0.768823 -0.000001 -0.000000 Ti\n0.231177 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Mn",
"Pt"
],
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"density": 9.470350337436598,
"density_atomic": 0.06597921699187144,
"volume": 60.625151106185385,
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"formula_full": "Ti2 Mn1 Pt1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-79405",
"created_at": "2022-09-04T14:37:12.381465Z",
"updated_at": "2022-09-04T14:37:12.381494Z",
"structure_string": "Ti2 Mn1 Re1\n1.0\n0.000031 3.053913 3.053913\n3.053913 0.000031 3.053913\n3.053913 3.053913 0.000031\nTi Mn Re\n2 1 1\ndirect\n-0.000001 -0.000001 -0.000001 Ti\n0.500007 0.500007 0.500007 Ti\n0.249998 0.249998 0.249998 Mn\n0.749998 0.749998 0.749998 Re\n",
"nsites": 4,
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"elements": [
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"Mn",
"Re"
],
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"density": 9.820412484548111,
"density_atomic": 0.07022093799113867,
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"formula_full": "Ti2 Mn1 Re1",
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"spacegroup": 225
},
{
"id": "jvasp-40090",
"created_at": "2022-09-04T14:37:44.613619Z",
"updated_at": "2022-09-04T14:37:44.613638Z",
"structure_string": "Ti2 Mn1 Rh1\n1.0\n0.000001 3.032549 3.032547\n3.032545 -0.000000 3.032548\n3.032542 3.032547 0.000003\nTi Mn Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.249999 0.249999 0.249999 Mn\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
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"Rh"
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},
{
"id": "jvasp-41582",
"created_at": "2022-09-04T14:37:34.917646Z",
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"structure_string": "Ti2 Mn1 Ru1\n1.0\n0.000000 3.027398 3.027398\n3.027398 -0.000000 3.027398\n3.027398 3.027398 0.000000\nTi Mn Ru\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\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Ti2 Mn1 Ru1",
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}
]
}