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{
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{
"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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"formula_full": "Ti2 Ir1 W1",
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{
"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",
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{
"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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"density": 5.840402087158493,
"density_atomic": 0.07616033388202105,
"volume": 52.52077815462766,
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"formula_full": "Ti1 Mn2 Al1",
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},
{
"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",
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"spacegroup": 189
},
{
"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",
"nsites": 4,
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"elements": [
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"Mn",
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],
"chemical_system": "Be-Mn-Ti",
"density": 5.092349309435401,
"density_atomic": 0.07681871886095948,
"volume": 52.07064188664653,
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"formula_full": "Ti2 Mn1 Be1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"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,
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"elements": [
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"chemical_system": "Be-Mn-Ti",
"density": 4.5667864850620035,
"density_atomic": 0.09104350098546975,
"volume": 43.93504156478327,
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"formula_full": "Ti1 Mn1 Be2",
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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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"density": 5.1194527341157725,
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"formula_full": "Ti2 Mn1 Be1",
"formula_reduced": "Ti2MnBe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-86858",
"created_at": "2022-09-04T14:35:40.821999Z",
"updated_at": "2022-09-04T14:35:40.822013Z",
"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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"elements": [
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"density_atomic": 0.0503980619393331,
"volume": 277.78845973983215,
"volume_molar": 11.94915147183473,
"formula_full": "Ti8 Mn2 Bi4",
"formula_reduced": "Ti4MnBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.4411855963875206,
"spacegroup": 140
},
{
"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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"elements": [
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],
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"density_atomic": 0.0503980619393331,
"volume": 277.78845973983215,
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"formula_full": "Ti8 Mn2 Bi4",
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"spacegroup": 140
},
{
"id": "jvasp-79958",
"created_at": "2022-09-04T14:37:03.430378Z",
"updated_at": "2022-09-04T14:37:03.430394Z",
"structure_string": "Ti1 Mn1 Co2\n1.0\n0.000005 2.911132 2.911132\n2.911132 0.000004 2.911131\n2.911131 2.911131 0.000004\nTi Mn Co\n1 1 2\ndirect\n0.749998 0.750001 0.750000 Ti\n0.250002 0.250001 0.250002 Mn\n0.999998 0.000001 0.000001 Co\n0.499999 0.500001 0.500000 Co\n",
"nsites": 4,
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"elements": [
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"volume": 49.341744116775516,
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"formula_full": "Ti1 Mn1 Co2",
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"formula_anonymous": "ABC2",
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},
{
"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",
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},
{
"id": "jvasp-85029",
"created_at": "2022-09-04T14:36:31.675589Z",
"updated_at": "2022-09-04T14:36:31.675616Z",
"structure_string": "Ti1 Mn2 Cr1\n1.0\n-8.645423 0.000000 -4.991438\n-8.668261 -0.005469 5.030993\n-5.768650 8.195869 0.008721\nTi Mn Cr\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.772332 -0.000000 -0.000000 Mn\n0.227669 -0.000000 -0.000000 Mn\n0.500000 -0.000000 -0.000000 Cr\n",
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],
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"formula_full": "Ti1 Mn2 Cr1",
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}
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}