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{
"id": "jvasp-64966",
"created_at": "2022-09-04T14:36:12.058713Z",
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"structure_string": "Li1 Be1 Fe4\n1.0\n0.000000 3.275535 3.275535\n3.275535 -0.000000 3.275535\n3.275535 3.275535 0.000000\nLi Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.124617 0.625126 0.625126 Fe\n0.625126 0.625126 0.625126 Fe\n0.625126 0.124617 0.625126 Fe\n0.625126 0.625126 0.124617 Fe\n",
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{
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"structure_string": "Be1 Pd1 Br4\n1.0\n0.000000 4.340625 4.340625\n4.340625 0.000000 4.340625\n4.340625 4.340625 0.000000\nBe Pd Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n0.124282 0.625239 0.625239 Br\n0.625239 0.625239 0.625239 Br\n0.625239 0.124282 0.625239 Br\n0.625239 0.625239 0.124282 Br\n",
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{
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"structure_string": "Ba4 Sc1 Hg1\n1.0\n0.000000 5.104469 5.104469\n5.104469 -0.000000 5.104469\n5.104469 5.104469 -0.000000\nBa Sc Hg\n4 1 1\ndirect\n0.125654 0.624782 0.624782 Ba\n0.624782 0.624782 0.624782 Ba\n0.624782 0.125654 0.624782 Ba\n0.624782 0.624782 0.125654 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Hg\n",
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"formula_full": "Ba4 Sc1 Hg1",
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{
"id": "jvasp-64504",
"created_at": "2022-09-04T14:36:15.461795Z",
"updated_at": "2022-09-04T14:36:15.461821Z",
"structure_string": "Ba4 Be1 Te1\n1.0\n-0.000000 4.995906 4.995906\n4.995906 -0.000000 4.995906\n4.995906 4.995906 -0.000000\nBa Be Te\n4 1 1\ndirect\n0.122380 0.625874 0.625874 Ba\n0.625874 0.625874 0.625874 Ba\n0.625874 0.122380 0.625874 Ba\n0.625874 0.625874 0.122380 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Be-Te",
"density": 4.5671987185527065,
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"volume": 249.38640268784224,
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"formula_full": "Ba4 Be1 Te1",
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{
"id": "jvasp-65183",
"created_at": "2022-09-04T14:36:21.092207Z",
"updated_at": "2022-09-04T14:36:21.092232Z",
"structure_string": "Be1 Rh1 Pb4\n1.0\n0.000000 4.397181 4.397181\n4.397181 -0.000000 4.397181\n4.397181 4.397181 -0.000000\nBe Rh Pb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Rh\n0.126542 0.624486 0.624486 Pb\n0.624486 0.624486 0.624486 Pb\n0.624486 0.126542 0.624486 Pb\n0.624486 0.624486 0.126542 Pb\n",
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"density": 9.186612140538854,
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"volume": 170.04075470968652,
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"formula_full": "Be1 Rh1 Pb4",
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{
"id": "jvasp-63894",
"created_at": "2022-09-04T14:36:09.856622Z",
"updated_at": "2022-09-04T14:36:09.856649Z",
"structure_string": "Ba4 Nb1 Ge1\n1.0\n0.000000 4.904230 4.904230\n4.904230 -0.000000 4.904230\n4.904230 4.904230 -0.000000\nBa Nb Ge\n4 1 1\ndirect\n0.126873 0.624376 0.624376 Ba\n0.624376 0.624376 0.624376 Ba\n0.624376 0.126873 0.624376 Ba\n0.624376 0.624376 0.126873 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ge\n",
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{
"id": "jvasp-64304",
"created_at": "2022-09-04T14:36:21.162387Z",
"updated_at": "2022-09-04T14:36:21.162408Z",
"structure_string": "Ba4 Fe1 Cu1\n1.0\n0.000000 5.101239 5.101239\n5.101239 -0.000000 5.101239\n5.101239 5.101239 -0.000000\nBa Fe Cu\n4 1 1\ndirect\n0.123360 0.625547 0.625547 Ba\n0.625547 0.625547 0.625547 Ba\n0.625547 0.123360 0.625547 Ba\n0.625547 0.625547 0.123360 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cu\n",
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],
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"volume": 265.4954053185066,
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"formula_full": "Ba4 Fe1 Cu1",
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{
"id": "jvasp-64571",
"created_at": "2022-09-04T14:36:15.545250Z",
"updated_at": "2022-09-04T14:36:15.545274Z",
"structure_string": "Ba4 Cr1 Cl1\n1.0\n0.000000 5.164151 5.164151\n5.164151 0.000000 5.164151\n5.164151 5.164151 0.000000\nBa Cr Cl\n4 1 1\ndirect\n0.122409 0.625863 0.625863 Ba\n0.625863 0.625863 0.625863 Ba\n0.625863 0.122409 0.625863 Ba\n0.625863 0.625863 0.122409 Ba\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Cl\n",
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"volume": 275.43986280224914,
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"formula_full": "Ba4 Cr1 Cl1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-65169",
"created_at": "2022-09-04T14:36:15.476023Z",
"updated_at": "2022-09-04T14:36:15.476033Z",
"structure_string": "Y1 Be1 Br4\n1.0\n-0.000000 4.397394 4.397394\n4.397394 0.000000 4.397394\n4.397394 4.397394 0.000000\nY Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n0.125774 0.624741 0.624741 Br\n0.624741 0.624741 0.624741 Br\n0.624741 0.125774 0.624741 Br\n0.624741 0.624741 0.125774 Br\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-44027",
"created_at": "2022-09-04T14:36:17.933096Z",
"updated_at": "2022-09-04T14:36:17.933115Z",
"structure_string": "Li4 Mn4 F16\n1.0\n0.000000 5.762892 0.100605\n4.624870 0.000000 0.000000\n0.000000 -0.173358 -9.955233\nLi Mn F\n4 4 16\ndirect\n0.500008 0.249996 0.000002 Li\n0.499996 0.249997 0.500003 Li\n0.000009 0.750004 0.000002 Li\n-0.000004 0.750003 0.500002 Li\n0.208394 0.249351 0.749337 Mn\n0.791609 0.250649 0.250671 Mn\n0.708394 0.750649 0.749337 Mn\n0.291609 0.749351 0.250670 Mn\n0.448844 0.481056 0.829344 F\n0.510764 0.495399 0.331235 F\n0.010764 0.504601 0.331235 F\n0.948844 0.518944 0.829344 F\n0.279944 0.540926 0.092034 F\n0.726036 0.545176 0.590713 F\n0.273961 0.954829 0.409296 F\n0.551159 0.018942 0.170662 F\n0.051159 0.981058 0.170662 F\n0.989237 -0.004600 0.668774 F\n0.226036 0.454825 0.590713 F\n0.489238 0.004600 0.668773 F\n0.220063 0.040925 0.907971 F\n0.773961 0.045171 0.409296 F\n0.720063 0.959075 0.907972 F\n0.779944 0.459074 0.092034 F\n",
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{
"id": "jvasp-66319",
"created_at": "2022-09-04T14:36:17.868363Z",
"updated_at": "2022-09-04T14:36:17.868390Z",
"structure_string": "Ba4 Sb1 P1\n1.0\n-0.000000 4.839436 4.839436\n4.839436 -0.000000 4.839436\n4.839436 4.839436 -0.000000\nBa Sb P\n4 1 1\ndirect\n0.125570 0.624810 0.624810 Ba\n0.624810 0.624810 0.624810 Ba\n0.624810 0.125570 0.624810 Ba\n0.624810 0.624810 0.125570 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 P\n",
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{
"id": "jvasp-65037",
"created_at": "2022-09-04T14:36:09.312150Z",
"updated_at": "2022-09-04T14:36:09.312171Z",
"structure_string": "Ta4 Be1 Tc1\n1.0\n-0.000000 3.760757 3.760757\n3.760757 -0.000000 3.760757\n3.760757 3.760757 -0.000000\nTa Be Tc\n4 1 1\ndirect\n0.126341 0.624554 0.624554 Ta\n0.624554 0.624554 0.624554 Ta\n0.624554 0.126341 0.624554 Ta\n0.624554 0.624554 0.126341 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tc\n",
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