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{
"id": "mp-1100795",
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"structure_string": "Zr2 Cl6\n1.0\n6.278204 0.000000 0.000000\n-2.981325 -5.539837 0.000000\n-3.097078 1.656487 -6.708279\nZr Cl\n2 6\ndirect\n0.857003 0.142149 0.000032 Zr\n0.142997 0.857851 0.999968 Zr\n0.354536 0.074645 0.785138 Cl\n0.676705 0.760584 0.749641 Cl\n0.005605 0.427221 0.787598 Cl\n0.994395 0.572779 0.212402 Cl\n0.323295 0.239416 0.250359 Cl\n0.645464 0.925355 0.214862 Cl\n",
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{
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"formula_full": "Zr6 Cl18",
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"updated_at": "2021-11-28T01:37:49.132000Z",
"spacegroup": 12
},
{
"id": "mp-685155",
"created_at": "2022-09-04T14:46:54.392353Z",
"structure_string": "Zr2 Cl6\n1.0\n6.782675 -3.131558 0.000000\n6.782675 3.131558 0.000000\n5.336836 0.000000 5.227765\nZr Cl\n2 6\ndirect\n0.333343 0.333343 0.333343 Zr\n0.666657 0.666657 0.666657 Zr\n0.077343 0.416763 0.738459 Cl\n0.261541 0.922657 0.583237 Cl\n0.416763 0.738459 0.077343 Cl\n0.583237 0.261541 0.922657 Cl\n0.738459 0.077343 0.416763 Cl\n0.922657 0.583237 0.261541 Cl\n",
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"formula_full": "Zr2 Cl6",
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"spacegroup": 148
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{
"id": "mp-22871",
"created_at": "2022-09-04T14:43:52.594122Z",
"structure_string": "Zr2 Cl6\n1.0\n3.481843 -6.030728 0.000000\n3.481843 6.030728 0.000000\n0.000000 0.000000 6.098213\nZr Cl\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.703659 0.000000 0.750000 Cl\n0.703659 0.703659 0.250000 Cl\n0.296341 0.000000 0.250000 Cl\n0.296341 0.296341 0.750000 Cl\n0.000000 0.703659 0.750000 Cl\n0.000000 0.296341 0.250000 Cl\n",
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"updated_at": "2021-11-28T01:36:21.015000Z",
"spacegroup": 193
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{
"id": "mp-571537",
"created_at": "2022-09-04T14:44:19.830579Z",
"structure_string": "Zr6 Cl12\n1.0\n4.853264 -6.606945 0.000000\n4.853264 6.606945 0.000000\n-4.141039 0.000000 7.075146\nZr Cl\n6 12\ndirect\n0.700904 0.968054 0.897620 Zr\n0.102380 0.299096 0.031946 Zr\n0.897620 0.700904 0.968054 Zr\n0.968054 0.897620 0.700904 Zr\n0.031946 0.102380 0.299096 Zr\n0.299096 0.031946 0.102380 Zr\n0.852103 0.550210 0.629086 Cl\n0.921554 0.777670 0.312612 Cl\n0.078446 0.222330 0.687388 Cl\n0.687388 0.078446 0.222330 Cl\n0.312612 0.921554 0.777670 Cl\n0.222330 0.687388 0.078446 Cl\n0.629086 0.852103 0.550210 Cl\n0.147897 0.449790 0.370914 Cl\n0.449790 0.370914 0.147897 Cl\n0.550210 0.629086 0.852103 Cl\n0.370914 0.147897 0.449790 Cl\n0.777670 0.312612 0.921554 Cl\n",
"nsites": 18,
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"density": 3.5601124934423796,
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"volume": 453.73262675900105,
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"formula_full": "Zr6 Cl12",
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"updated_at": "2021-11-28T01:36:25.298000Z",
"spacegroup": 148
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{
"id": "mp-23162",
"created_at": "2022-09-04T14:41:09.275947Z",
"structure_string": "Zr1 Cl2\n1.0\n6.975855 -1.708393 0.000000\n6.975855 1.708393 0.000000\n6.557468 0.000000 2.929295\nZr Cl\n1 2\ndirect\n0.999923 0.999923 0.999923 Zr\n0.583544 0.583544 0.583544 Cl\n0.749633 0.749633 0.749633 Cl\n",
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{
"id": "mp-27440",
"created_at": "2022-09-04T14:42:06.139409Z",
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{
"id": "mp-1067974",
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"structure_string": "Zr2 Cl2\n1.0\n1.680834 -2.911289 0.000000\n1.680834 2.911289 0.000000\n0.000000 0.000000 9.615563\nZr Cl\n2 2\ndirect\n0.666667 0.333333 0.631112 Zr\n0.333333 0.666667 0.368888 Zr\n0.666667 0.333333 0.180734 Cl\n0.333333 0.666667 0.819266 Cl\n",
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{
"id": "mp-977537",
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"structure_string": "Zr1 Cd1 Rh2\n1.0\n0.000000 3.254290 3.254290\n3.254290 0.000000 3.254290\n3.254290 3.254290 0.000000\nZr Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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{
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{
"id": "mp-1016845",
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}
]
}