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{
"id": "mp-867828",
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{
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{
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"structure_string": "Cu2 Ge6\n1.0\n2.172719 -3.763260 0.000000\n2.172719 3.763260 0.000000\n0.000000 0.000000 8.934916\nCu Ge\n2 6\ndirect\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.575610 Ge\n0.666667 0.333333 0.424390 Ge\n0.666667 0.333333 0.075610 Ge\n0.333333 0.666667 0.924390 Ge\n0.000000 0.000000 0.250000 Ge\n0.000000 0.000000 0.750000 Ge\n",
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"formula_full": "Cu2 Ge6",
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{
"id": "mp-1113536",
"created_at": "2022-09-04T14:45:30.516571Z",
"structure_string": "Cs2 Tl1 Au1 Cl6\n1.0\n0.000000 5.400225 5.400225\n5.400225 0.000000 5.400225\n5.400225 5.400225 0.000000\nCs Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.740554 0.259446 0.259446 Cl\n0.259446 0.259446 0.740554 Cl\n0.259446 0.740554 0.740554 Cl\n0.259446 0.740554 0.259446 Cl\n0.740554 0.259446 0.740554 Cl\n0.740554 0.740554 0.259446 Cl\n",
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"formula_full": "Cs2 Tl1 Au1 Cl6",
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{
"id": "mp-1406711",
"created_at": "2022-09-04T14:40:09.204668Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n6.078134 0.000000 0.000000\n-2.866237 5.361902 0.000000\n-0.328813 -3.444257 5.020033\nCa Ni O\n2 4 8\ndirect\n0.249711 0.877498 0.877454 Ca\n0.750289 0.122502 0.122546 Ca\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500149 0.688656 0.237822 O\n0.072111 0.306159 0.688783 O\n0.427230 0.233706 0.258584 O\n0.004645 0.738280 0.689382 O\n0.572770 0.766294 0.741416 O\n0.927889 0.693841 0.311217 O\n0.995355 0.261720 0.310618 O\n0.499851 0.311344 0.762178 O\n",
"nsites": 14,
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"density": 4.495555676297741,
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"volume": 163.60467691319943,
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{
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"created_at": "2022-09-04T14:44:17.598372Z",
"structure_string": "Sr4 Pb6\n1.0\n8.418496 0.000000 0.000000\n0.000000 8.418496 0.000000\n0.000000 0.000000 4.999754\nSr Pb\n4 6\ndirect\n0.673076 0.173076 0.000000 Sr\n0.173076 0.326924 0.000000 Sr\n0.826924 0.673076 0.000000 Sr\n0.326924 0.826924 0.000000 Sr\n0.128900 0.628900 0.500000 Pb\n0.871100 0.371100 0.500000 Pb\n0.628900 0.871100 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.371100 0.128900 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
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"density": 7.4684858696581955,
"density_atomic": 0.028221646244349873,
"volume": 354.33794022565405,
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"formula_full": "Sr4 Pb6",
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{
"id": "mp-20899",
"created_at": "2022-09-04T14:47:06.259340Z",
"structure_string": "U1 Ga3 Pd2\n1.0\n2.667764 -4.620702 0.000000\n2.667764 4.620702 0.000000\n0.000000 0.000000 4.307727\nU Ga Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 6,
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"density": 10.320112735627264,
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"volume": 106.20220564144816,
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{
"id": "mp-1112892",
"created_at": "2022-09-04T14:40:00.125437Z",
"structure_string": "Cs2 In1 Bi1 Br6\n1.0\n0.000000 5.975294 5.975294\n5.975294 0.000000 5.975294\n5.975294 5.975294 0.000000\nCs In Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.758464 0.241536 0.241536 Br\n0.241536 0.241536 0.758464 Br\n0.241536 0.758464 0.758464 Br\n0.241536 0.758464 0.241536 Br\n0.758464 0.241536 0.758464 Br\n0.758464 0.758464 0.241536 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.160375222103025,
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"volume": 426.6854477512814,
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{
"id": "mp-552537",
"created_at": "2022-09-04T14:45:07.318973Z",
"structure_string": "Sr2 Cu1 Br1 O2\n1.0\n9.621541 -2.037541 0.000000\n9.621541 2.037541 0.000000\n9.190054 0.000000 3.502647\nSr Cu Br O\n2 1 1 2\ndirect\n0.252999 0.252999 0.252999 Sr\n0.747001 0.747001 0.747001 Sr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n0.436388 0.436388 0.436388 O\n0.563612 0.563612 0.563612 O\n",
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{
"id": "mp-1110743",
"created_at": "2022-09-04T14:44:25.215130Z",
"structure_string": "Rb2 Na1 Bi1 Br6\n1.0\n0.000000 5.778543 5.778543\n5.778543 0.000000 5.778543\n5.778543 5.778543 0.000000\nRb Na Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.752171 0.247829 0.247829 Br\n0.247829 0.247829 0.752171 Br\n0.247829 0.752171 0.752171 Br\n0.247829 0.752171 0.247829 Br\n0.752171 0.247829 0.752171 Br\n0.752171 0.752171 0.247829 Br\n",
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{
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"density": 4.428162639132526,
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"volume": 185.24644730523534,
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{
"id": "mp-1111879",
"created_at": "2022-09-04T14:42:27.473661Z",
"structure_string": "Cs2 Cu1 Sb1 Br6\n1.0\n0.000000 5.538944 5.538944\n5.538944 0.000000 5.538944\n5.538944 5.538944 0.000000\nCs Cu Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.742702 0.257298 0.257298 Br\n0.257298 0.257298 0.742702 Br\n0.257298 0.742702 0.742702 Br\n0.257298 0.742702 0.257298 Br\n0.742702 0.257298 0.742702 Br\n0.742702 0.742702 0.257298 Br\n",
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]
}