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{
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"structure_string": "Ba1 Cr2 Mo1\n1.0\n3.355277 -0.000000 0.000000\n0.000000 3.355277 0.000000\n0.000000 -0.000000 7.526537\nBa Cr Mo\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.864627 Cr\n0.000000 0.000000 0.135373 Cr\n0.500000 0.500000 0.000000 Mo\n",
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{
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"structure_string": "Ba4 Mn1 Cr1\n1.0\n-0.000000 4.862634 4.862634\n4.862634 -0.000000 4.862634\n4.862634 4.862634 -0.000000\nBa Mn Cr\n4 1 1\ndirect\n0.124814 0.625062 0.625062 Ba\n0.625062 0.625062 0.625062 Ba\n0.625062 0.124814 0.625062 Ba\n0.625062 0.625062 0.124814 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
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"formula_full": "Ba4 Mn1 Cr1",
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},
{
"id": "jvasp-69373",
"created_at": "2022-09-04T14:36:02.138167Z",
"updated_at": "2022-09-04T14:36:02.138195Z",
"structure_string": "Ba1 Mn1 Cr2\n1.0\n4.374142 0.000000 0.000000\n0.000000 4.374142 -0.000000\n0.000000 -0.000000 4.325434\nBa Mn Cr\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.944326181472165,
"density_atomic": 0.04833308836116335,
"volume": 82.75904014472378,
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"formula_full": "Ba1 Mn1 Cr2",
"formula_reduced": "BaMnCr2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-9360",
"created_at": "2022-09-04T14:37:16.791204Z",
"updated_at": "2022-09-04T14:37:16.791230Z",
"structure_string": "Ba1 Mg1 Cr4 O8\n1.0\n2.671049 -4.626393 -0.000000\n2.671049 4.626393 -0.000000\n0.000000 0.000000 7.183314\nBa Mg Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.740083 Cr\n0.666667 0.333333 0.740083 Cr\n0.333333 0.666667 0.259917 Cr\n0.666667 0.333333 0.259917 Cr\n0.684278 0.000000 0.676965 O\n0.000000 0.684278 0.676965 O\n0.315721 0.315721 0.676965 O\n0.315721 0.000000 0.323034 O\n0.684279 0.684279 0.323034 O\n0.000000 0.315721 0.323034 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
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"elements": [
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"density": 4.654364263108992,
"density_atomic": 0.07885855444410712,
"volume": 177.5330539430929,
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"formula_anonymous": "ABC4D8",
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},
{
"id": "jvasp-92869",
"created_at": "2022-09-04T14:36:19.676102Z",
"updated_at": "2022-09-04T14:36:19.676138Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.679479 -0.765627 0.000000\n-4.502792 6.267810 0.000000\n0.000000 0.000000 4.948589\nBa Mg Cr\n1 6 1\ndirect\n0.212371 0.287629 0.250000 Ba\n0.172508 0.812057 0.250000 Mg\n0.687943 0.327492 0.250000 Mg\n0.618860 0.881140 0.250000 Mg\n0.303360 0.685130 0.750000 Mg\n0.814870 0.196640 0.750000 Mg\n0.804703 0.695297 0.750000 Mg\n0.385386 0.114613 0.750000 Cr\n",
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"volume": 221.13292586979557,
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"formula_full": "Ba1 Mg6 Cr1",
"formula_reduced": "BaMg6Cr",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-64412",
"created_at": "2022-09-04T14:36:15.255315Z",
"updated_at": "2022-09-04T14:36:15.255334Z",
"structure_string": "Ba4 Mg1 Cr1\n1.0\n0.000000 5.135816 5.135816\n5.135816 0.000000 5.135816\n5.135816 5.135816 -0.000000\nBa Mg Cr\n4 1 1\ndirect\n0.125220 0.624927 0.624927 Ba\n0.624927 0.624927 0.624927 Ba\n0.624927 0.125220 0.624927 Ba\n0.624927 0.624927 0.125220 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cr\n",
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"elements": [
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],
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"formula_full": "Ba4 Mg1 Cr1",
"formula_reduced": "Ba4MgCr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-92847",
"created_at": "2022-09-04T14:36:15.823154Z",
"updated_at": "2022-09-04T14:36:15.823178Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n",
"nsites": 8,
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"density": 2.521857242883576,
"density_atomic": 0.03625084607248138,
"volume": 220.6845044114138,
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"formula_full": "Ba1 Mg6 Cr1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-65747",
"created_at": "2022-09-04T14:35:49.889905Z",
"updated_at": "2022-09-04T14:35:49.889932Z",
"structure_string": "Ba1 Li4 Cr1\n1.0\n-0.000000 4.017172 4.017172\n4.017172 0.000000 4.017172\n4.017172 4.017172 -0.000000\nBa Li Cr\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.109658 0.630114 0.630114 Li\n0.630114 0.630114 0.630114 Li\n0.630114 0.109658 0.630114 Li\n0.630114 0.630114 0.109658 Li\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 6,
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],
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"volume": 129.6555991892918,
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"formula_full": "Ba1 Li4 Cr1",
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"spacegroup": 216
},
{
"id": "jvasp-69220",
"created_at": "2022-09-04T14:36:06.613013Z",
"updated_at": "2022-09-04T14:36:06.613040Z",
"structure_string": "Ba2 Li1 Cr1\n1.0\n0.000000 4.201050 4.201050\n4.201050 0.000000 4.201050\n4.201050 4.201050 -0.000000\nBa Li Cr\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n",
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{
"id": "jvasp-66031",
"created_at": "2022-09-04T14:35:43.633532Z",
"updated_at": "2022-09-04T14:35:43.633562Z",
"structure_string": "Ba1 Li1 Cr1\n1.0\n0.000000 3.951787 3.951787\n3.951787 0.000000 3.951787\n3.951787 3.951787 -0.000000\nBa Li Cr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n",
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{
"id": "jvasp-64794",
"created_at": "2022-09-04T14:35:53.128624Z",
"updated_at": "2022-09-04T14:35:53.128639Z",
"structure_string": "Ba4 Li1 Cr1\n1.0\n0.000000 5.209802 5.209802\n5.209802 0.000000 5.209802\n5.209802 5.209802 -0.000000\nBa Li Cr\n4 1 1\ndirect\n0.126910 0.624363 0.624363 Ba\n0.624363 0.624363 0.624363 Ba\n0.624363 0.126910 0.624363 Ba\n0.624363 0.624363 0.126910 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Cr\n",
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