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{
"id": "jvasp-65156",
"created_at": "2022-09-04T14:35:58.999955Z",
"updated_at": "2022-09-04T14:35:58.999970Z",
"structure_string": "Be1 Cd4 Ni1\n1.0\n0.000000 3.882540 3.882540\n3.882540 -0.000000 3.882540\n3.882540 3.882540 0.000000\nBe Cd Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125468 0.624844 0.624844 Cd\n0.624844 0.624844 0.624844 Cd\n0.624844 0.125468 0.624844 Cd\n0.624844 0.624844 0.125468 Cd\n0.250000 0.250000 0.250000 Ni\n",
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"elements": [
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{
"id": "jvasp-68658",
"created_at": "2022-09-04T14:36:01.007793Z",
"updated_at": "2022-09-04T14:36:01.007822Z",
"structure_string": "Be2 Nb1 Cd1\n1.0\n2.859148 -0.000000 0.000000\n0.000000 2.859148 -0.000000\n-0.000000 0.000000 6.887969\nBe Nb Cd\n2 1 1\ndirect\n0.000000 0.000000 0.751464 Be\n0.000000 0.000000 0.248536 Be\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
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{
"id": "jvasp-65130",
"created_at": "2022-09-04T14:36:21.957620Z",
"updated_at": "2022-09-04T14:36:21.957644Z",
"structure_string": "Be1 Nb1 Cd1\n1.0\n-1.450650 1.450650 5.583521\n1.450650 -1.450650 5.583521\n1.450650 1.450650 -5.583521\nBe Nb Cd\n1 1 1\ndirect\n0.001293 0.001293 0.000000 Be\n0.647415 0.647415 0.000000 Nb\n0.351293 0.351293 0.000000 Cd\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Be-Cd-Nb",
"density": 7.572473182960357,
"density_atomic": 0.06383043804037412,
"volume": 46.999520794490486,
"volume_molar": 9.434590995898958,
"formula_full": "Be1 Nb1 Cd1",
"formula_reduced": "BeNbCd",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-68544",
"created_at": "2022-09-04T14:35:57.406713Z",
"updated_at": "2022-09-04T14:35:57.406738Z",
"structure_string": "Be1 Nb1 Cd1\n1.0\n1.436791 -2.488594 0.000000\n1.436791 2.488594 -0.000000\n0.000000 0.000000 6.945656\nBe Nb Cd\n1 1 1\ndirect\n0.000000 -0.000000 0.004549 Be\n0.666666 0.333333 0.306810 Nb\n0.333333 0.666666 0.688640 Cd\n",
"nsites": 3,
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"elements": [
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"Nb",
"Cd"
],
"chemical_system": "Be-Cd-Nb",
"density": 7.165397033102622,
"density_atomic": 0.06039908234806514,
"volume": 49.669628798526006,
"volume_molar": 9.970583204055776,
"formula_full": "Be1 Nb1 Cd1",
"formula_reduced": "BeNbCd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7422184166666663,
"spacegroup": 156
},
{
"id": "jvasp-74053",
"created_at": "2022-09-04T14:36:10.115071Z",
"updated_at": "2022-09-04T14:36:10.115089Z",
"structure_string": "Be1 Cd1 Mo2\n1.0\n3.179735 0.000000 0.000000\n0.000000 3.179735 0.000000\n-0.000000 0.000000 6.252543\nBe Cd Mo\n1 1 2\ndirect\n0.000000 0.000000 0.463597 Be\n0.499999 0.499999 0.724871 Cd\n0.000000 0.000000 0.052565 Mo\n0.499999 0.499999 0.258967 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Mo"
],
"chemical_system": "Be-Cd-Mo",
"density": 8.229536229665799,
"density_atomic": 0.06327344046150646,
"volume": 63.217678236312636,
"volume_molar": 9.517643921486581,
"formula_full": "Be1 Cd1 Mo2",
"formula_reduced": "BeCdMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0473319125,
"spacegroup": 99
},
{
"id": "jvasp-65273",
"created_at": "2022-09-04T14:36:00.559000Z",
"updated_at": "2022-09-04T14:36:00.559026Z",
"structure_string": "Be1 Cd4 Mo1\n1.0\n0.000000 3.922378 3.922378\n3.922378 -0.000000 3.922378\n3.922378 3.922378 0.000000\nBe Cd Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125375 0.624876 0.624876 Cd\n0.624876 0.624876 0.624876 Cd\n0.624876 0.125375 0.624876 Cd\n0.624876 0.624876 0.125375 Cd\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"Mo"
],
"chemical_system": "Be-Cd-Mo",
"density": 7.630405957654508,
"density_atomic": 0.04971333763940466,
"volume": 120.69195682496633,
"volume_molar": 12.113732543329833,
"formula_full": "Be1 Cd4 Mo1",
"formula_reduced": "BeCd4Mo",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-65112",
"created_at": "2022-09-04T14:36:01.224426Z",
"updated_at": "2022-09-04T14:36:01.224451Z",
"structure_string": "Mn1 Be1 Cd4\n1.0\n-0.000000 3.945930 3.945930\n3.945930 -0.000000 3.945930\n3.945930 3.945930 -0.000000\nMn Be Cd\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Be\n0.125334 0.624888 0.624888 Cd\n0.624888 0.624888 0.624888 Cd\n0.624888 0.125334 0.624888 Cd\n0.624888 0.624888 0.125334 Cd\n",
"nsites": 6,
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"elements": [
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"Be",
"Cd"
],
"chemical_system": "Be-Cd-Mn",
"density": 6.940505539510132,
"density_atomic": 0.04882847094650127,
"volume": 122.87912940329173,
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"formula_full": "Mn1 Be1 Cd4",
"formula_reduced": "MnBeCd4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-70068",
"created_at": "2022-09-04T14:35:56.060876Z",
"updated_at": "2022-09-04T14:35:56.060899Z",
"structure_string": "Mn1 Be2 Cd1\n1.0\n-1.801671 1.801671 3.922575\n1.801671 -1.801671 3.922575\n1.801671 1.801671 -3.922575\nMn Be Cd\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500001 0.500001 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Be",
"Cd"
],
"chemical_system": "Be-Cd-Mn",
"density": 6.04385881232004,
"density_atomic": 0.0785376256719446,
"volume": 50.93100237977897,
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"formula_full": "Mn1 Be2 Cd1",
"formula_reduced": "MnBe2Cd",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-74064",
"created_at": "2022-09-04T14:36:08.282043Z",
"updated_at": "2022-09-04T14:36:08.282062Z",
"structure_string": "Mn2 Be1 Cd1\n1.0\n2.789894 0.000000 -0.000000\n0.000000 2.789894 0.000000\n0.000000 0.000000 6.368854\nMn Be Cd\n2 1 1\ndirect\n0.000000 0.000000 0.062248 Mn\n0.499999 0.499999 0.253832 Mn\n0.000000 0.000000 0.446565 Be\n0.499999 0.499999 0.737354 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Cd-Mn",
"density": 7.747947412002769,
"density_atomic": 0.08069066457292233,
"volume": 49.57202944319652,
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"formula_full": "Mn2 Be1 Cd1",
"formula_reduced": "Mn2BeCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.201831186853448,
"spacegroup": 99
},
{
"id": "jvasp-68902",
"created_at": "2022-09-04T14:36:05.109169Z",
"updated_at": "2022-09-04T14:36:05.109186Z",
"structure_string": "Mn1 Be2 Cd1\n1.0\n2.903321 0.000000 -0.000000\n0.000000 2.903321 0.000000\n0.000000 0.000000 5.745120\nMn Be Cd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.181741 Be\n0.000000 0.000000 0.818259 Be\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.356342918678118,
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"formula_full": "Mn1 Be2 Cd1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-67134",
"created_at": "2022-09-04T14:36:02.975668Z",
"updated_at": "2022-09-04T14:36:02.975700Z",
"structure_string": "Mn1 Be1 Cd1\n1.0\n-1.400570 1.400570 5.280847\n1.400570 -1.400570 5.280847\n1.400570 1.400570 -5.280847\nMn Be Cd\n1 1 1\ndirect\n0.639897 0.639897 0.000000 Mn\n0.020389 0.020389 0.000000 Be\n0.339714 0.339714 0.000000 Cd\n",
"nsites": 3,
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"density": 7.067714430722172,
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"formula_full": "Mn1 Be1 Cd1",
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},
{
"id": "jvasp-69883",
"created_at": "2022-09-04T14:36:13.380129Z",
"updated_at": "2022-09-04T14:36:13.380146Z",
"structure_string": "Mn1 Be2 Cd1\n1.0\n3.968219 0.000000 0.000000\n0.000000 3.968219 0.000000\n0.000000 -0.000000 3.107951\nMn Be Cd\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Cd\n",
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