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{
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{
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{
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"structure_string": "Ba2 Zn26\n1.0\n0.000000 6.201665 6.201665\n6.201665 0.000000 6.201665\n6.201665 6.201665 0.000000\nBa Zn\n2 26\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.440462 0.799225 0.559538 Zn\n0.059538 0.940462 0.700775 Zn\n0.559538 0.440462 0.799225 Zn\n0.799225 0.559538 0.440462 Zn\n0.200775 0.799225 0.440462 Zn\n0.700775 0.059538 0.940462 Zn\n0.440462 0.559538 0.200775 Zn\n0.700775 0.940462 0.299225 Zn\n0.440462 0.200775 0.799225 Zn\n0.940462 0.700775 0.059538 Zn\n0.059538 0.299225 0.940462 Zn\n0.940462 0.299225 0.700775 Zn\n0.700775 0.299225 0.059538 Zn\n0.200775 0.440462 0.559538 Zn\n0.799225 0.440462 0.200775 Zn\n0.299225 0.700775 0.940462 Zn\n0.059538 0.700775 0.299225 Zn\n0.559538 0.799225 0.200775 Zn\n0.299225 0.940462 0.059538 Zn\n0.200775 0.559538 0.799225 Zn\n0.299225 0.059538 0.700775 Zn\n0.799225 0.200775 0.559538 Zn\n0.940462 0.059538 0.299225 Zn\n0.559538 0.200775 0.440462 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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},
{
"id": "mp-548615",
"created_at": "2022-09-04T14:39:30.544463Z",
"structure_string": "Ba2 Zn1 W1 O6\n1.0\n0.000000 4.130252 4.130252\n4.130252 0.000000 4.130252\n4.130252 4.130252 0.000000\nBa Zn W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 W\n0.762340 0.237660 0.762340 O\n0.237660 0.762340 0.237660 O\n0.237660 0.762340 0.762340 O\n0.762340 0.762340 0.237660 O\n0.762340 0.237660 0.237660 O\n0.237660 0.237660 0.762340 O\n",
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{
"id": "mp-1078410",
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"structure_string": "Ba2 Zn1 Te1 O6\n1.0\n0.000000 4.131510 4.131510\n4.131510 0.000000 4.131510\n4.131510 4.131510 0.000000\nBa Zn Te O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Te\n0.738351 0.738351 0.261649 O\n0.261649 0.738351 0.261649 O\n0.738351 0.261649 0.261649 O\n0.261649 0.261649 0.738351 O\n0.738351 0.261649 0.738351 O\n0.261649 0.738351 0.738351 O\n",
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"elements": [
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"density": 6.636046659826348,
"density_atomic": 0.0708995664566448,
"volume": 141.04458602176385,
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"formula_full": "Ba2 Zn1 Te1 O6",
"formula_reduced": "Ba2ZnTeO6",
"formula_anonymous": "ABC2D6",
"energy": -61.60365751,
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"updated_at": "2021-11-28T01:36:50.213000Z",
"spacegroup": 225
},
{
"id": "mp-1093764",
"created_at": "2022-09-04T14:42:40.914573Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-6.725295 6.829242 9.634198\n6.725295 -6.829242 9.634198\n6.725295 6.829242 -9.634198\nBa Zn Sn\n2 1 1\ndirect\n0.000000 0.264156 0.264156 Ba\n0.000000 0.735844 0.735844 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
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"formula_full": "Ba2 Zn1 Sn1",
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{
"id": "mp-1214559",
"created_at": "2022-09-04T14:40:52.682655Z",
"structure_string": "Ba2 Zn1 Sb2 F1\n1.0\n3.713961 0.000000 0.000000\n0.000000 3.713961 0.000000\n0.000000 0.000000 16.885726\nBa Zn Sb F\n2 1 2 1\ndirect\n0.500000 0.500000 0.644985 Ba\n0.500000 0.500000 0.355015 Ba\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.150139 Sb\n0.500000 0.500000 0.849861 Sb\n0.500000 0.500000 0.500000 F\n",
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"volume": 232.91336812184275,
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"formula_full": "Ba2 Zn1 Sb2 F1",
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{
"id": "mp-549970",
"created_at": "2022-09-04T14:48:26.132321Z",
"structure_string": "Ba2 Zn1 Re1 O6\n1.0\n0.000000 4.106090 4.106090\n4.106090 0.000000 4.106090\n4.106090 4.106090 0.000000\nBa Zn Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Re\n0.262483 0.262483 0.737517 O\n0.737517 0.262483 0.262483 O\n0.262483 0.737517 0.262483 O\n0.262483 0.737517 0.737517 O\n0.737517 0.262483 0.737517 O\n0.737517 0.737517 0.262483 O\n",
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{
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{
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{
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"volume": 223.81416057924176,
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{
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]
}