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{
"id": "jvasp-16663",
"created_at": "2022-09-04T14:38:17.900335Z",
"updated_at": "2022-09-04T14:38:17.900358Z",
"structure_string": "Ba2 Cd2 Ge2\n1.0\n2.369888 -4.104766 -0.000000\n2.369888 4.104766 -0.000000\n-0.000000 0.000000 9.537622\nBa Cd Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.750000 Cd\n0.666668 0.333333 0.250000 Cd\n0.666668 0.333333 0.750000 Ge\n0.333333 0.666668 0.250000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:37.526932Z",
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"structure_string": "Ba1 Cd3 Ga1\n1.0\n4.551755 0.084831 -5.039247\n-0.611787 4.511253 -5.039247\n-0.072721 -0.084831 6.790229\nBa Cd Ga\n1 3 1\ndirect\n0.003467 0.003467 -0.000000 Ba\n0.743990 0.243989 0.500000 Cd\n0.243989 0.743989 0.499999 Cd\n0.388327 0.388326 -0.000000 Cd\n0.620227 0.620227 -0.000001 Ga\n",
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"volume": 135.95433296505152,
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{
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"structure_string": "Ba4 Cd1 Fe1\n1.0\n0.000000 4.938521 4.938521\n4.938521 -0.000000 4.938521\n4.938521 4.938521 0.000000\nBa Cd Fe\n4 1 1\ndirect\n0.123539 0.625487 0.625487 Ba\n0.625487 0.625487 0.625487 Ba\n0.625487 0.123539 0.625487 Ba\n0.625487 0.625487 0.123539 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
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"volume": 240.89107528288076,
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"formula_full": "Ba4 Cd1 Fe1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-64870",
"created_at": "2022-09-04T14:38:13.048089Z",
"updated_at": "2022-09-04T14:38:13.048118Z",
"structure_string": "Ba4 Cd1 Cu1\n1.0\n-0.000000 5.144214 5.144214\n5.144214 -0.000000 5.144214\n5.144214 5.144214 0.000000\nBa Cd Cu\n4 1 1\ndirect\n0.125111 0.624963 0.624963 Ba\n0.624963 0.624963 0.624963 Ba\n0.624963 0.125111 0.624963 Ba\n0.624963 0.624963 0.125111 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Cd-Cu",
"density": 4.423425736997913,
"density_atomic": 0.022037593794390076,
"volume": 272.2620289664913,
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"formula_full": "Ba4 Cd1 Cu1",
"formula_reduced": "Ba4CdCu",
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"spacegroup": 216
},
{
"id": "jvasp-64759",
"created_at": "2022-09-04T14:36:07.536239Z",
"updated_at": "2022-09-04T14:36:07.536266Z",
"structure_string": "Ba4 Cd1 Co1\n1.0\n0.000000 4.919715 4.919715\n4.919715 0.000000 4.919715\n4.919715 4.919715 -0.000000\nBa Cd Co\n4 1 1\ndirect\n0.123210 0.625597 0.625597 Ba\n0.625597 0.625597 0.625597 Ba\n0.625597 0.123210 0.625597 Ba\n0.625597 0.625597 0.123210 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Co\n",
"nsites": 6,
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"volume": 238.1495854537157,
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-69298",
"created_at": "2022-09-04T14:36:18.645185Z",
"updated_at": "2022-09-04T14:36:18.645203Z",
"structure_string": "Ba1 Cd2 Cl1\n1.0\n4.227896 0.000000 0.000000\n0.000000 4.228075 0.000000\n0.000000 0.000000 7.176801\nBa Cd Cl\n1 2 1\ndirect\n0.500000 0.499999 0.689277 Ba\n0.000000 0.000000 0.063963 Cd\n0.500000 0.499999 0.179102 Cd\n0.000000 0.000000 0.567658 Cl\n",
"nsites": 4,
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"density_atomic": 0.031178994752753337,
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"formula_full": "Ba1 Cd2 Cl1",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-65778",
"created_at": "2022-09-04T14:36:12.572044Z",
"updated_at": "2022-09-04T14:36:12.572054Z",
"structure_string": "Ba1 Cd2 Cl1\n1.0\n4.227671 0.000000 -0.000000\n0.000000 4.227671 0.000000\n-0.000000 0.000000 7.177690\nBa Cd Cl\n1 2 1\ndirect\n0.500000 0.500000 0.689299 Ba\n0.000000 0.000000 0.063924 Cd\n0.500000 0.500000 0.179135 Cd\n0.000000 0.000000 0.567642 Cl\n",
"nsites": 4,
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"spacegroup": 99
},
{
"id": "jvasp-120852",
"created_at": "2022-09-04T14:38:50.702378Z",
"updated_at": "2022-09-04T14:38:50.702411Z",
"structure_string": "Ba1 Cd1 Cl1\n1.0\n5.766298 0.000000 0.000000\n-2.883149 4.993761 -0.000000\n0.000000 0.000000 3.960394\nBa Cd Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Cd\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"spacegroup": 187
},
{
"id": "jvasp-120853",
"created_at": "2022-09-04T14:38:50.726004Z",
"updated_at": "2022-09-04T14:38:50.726030Z",
"structure_string": "Ba1 Cd1 Cl1\n1.0\n4.076069 0.000000 0.000000\n-0.000000 4.076069 -0.000000\n0.000000 -0.000000 9.076814\nBa Cd Cl\n1 1 1\ndirect\n0.000000 0.000000 0.281350 Ba\n0.000000 0.000000 0.672236 Cd\n0.000000 0.000000 -0.029107 Cl\n",
"nsites": 3,
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},
{
"id": "jvasp-65704",
"created_at": "2022-09-04T14:36:12.904799Z",
"updated_at": "2022-09-04T14:36:12.904824Z",
"structure_string": "Ba1 Cd2 Cl1\n1.0\n4.227962 0.000000 0.000000\n0.000000 4.227962 0.000000\n-0.000000 0.000000 7.177342\nBa Cd Cl\n1 2 1\ndirect\n0.500000 0.500000 0.689265 Ba\n0.000000 0.000000 0.063950 Cd\n0.500000 0.500000 0.179043 Cd\n0.000000 0.000000 0.567742 Cl\n",
"nsites": 4,
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-119944",
"created_at": "2022-09-04T14:38:52.225754Z",
"updated_at": "2022-09-04T14:38:52.225782Z",
"structure_string": "Ba1 Cd1 Cl1\n1.0\n0.000000 3.883762 3.883762\n3.883762 -0.000000 3.883762\n3.883762 3.883762 0.000000\nBa Cd Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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{
"id": "jvasp-69363",
"created_at": "2022-09-04T14:36:17.401143Z",
"updated_at": "2022-09-04T14:36:17.401164Z",
"structure_string": "Ba2 Cd1 Cl1\n1.0\n-0.000000 4.161943 4.161943\n4.161943 0.000000 4.161943\n4.161943 4.161943 -0.000000\nBa Cd Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cl\n",
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