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{
"id": "jvasp-79991",
"created_at": "2022-09-04T14:37:18.514850Z",
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"structure_string": "Yb2 Ag1 Pb1\n1.0\n-0.000000 3.716121 3.716121\n3.716121 -0.000000 3.716121\n3.716121 3.716121 0.000000\nYb Ag Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Pb\n",
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{
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"structure_string": "Yb3 Ag3 Sn3\n1.0\n2.392585 -4.144078 0.000000\n2.392585 4.144078 -0.000000\n0.000000 -0.000000 10.747726\nYb Ag Sn\n3 3 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.332311 Yb\n0.000000 0.000000 0.667689 Yb\n0.666666 0.333332 0.194860 Ag\n0.666666 0.333332 0.805140 Ag\n0.333332 0.666666 0.500000 Ag\n0.333332 0.666666 0.147031 Sn\n0.666666 0.333332 0.500000 Sn\n0.333332 0.666666 0.852969 Sn\n",
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{
"id": "jvasp-109449",
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"structure_string": "K2 Ga1 Hg1 Cl6\n1.0\n6.337638 -0.000000 3.659037\n2.112546 5.975182 3.659037\n-0.000000 -0.000000 7.318073\nK Ga Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.500000 Hg\n0.766551 0.233449 0.233449 Cl\n0.233449 0.233449 0.766551 Cl\n0.233450 0.766551 0.766551 Cl\n0.233450 0.766551 0.233449 Cl\n0.766551 0.233449 0.766551 Cl\n0.766552 0.766551 0.233449 Cl\n",
"nsites": 10,
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"density": 3.362891174318516,
"density_atomic": 0.03608483264063705,
"volume": 277.12474378330546,
"volume_molar": 16.688842151420005,
"formula_full": "K2 Ga1 Hg1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-39812",
"created_at": "2022-09-04T14:37:51.899254Z",
"updated_at": "2022-09-04T14:37:51.899294Z",
"structure_string": "Tm1 Cd1 Au2\n1.0\n-0.000001 3.447773 3.447768\n3.447767 -0.000002 3.447769\n3.447768 3.447775 -0.000002\nTm Cd Au\n1 1 2\ndirect\n0.749998 0.750001 0.749999 Tm\n0.250001 0.250002 0.250001 Cd\n0.500000 0.500001 0.499999 Au\n-0.000000 0.000000 0.000001 Au\n",
"nsites": 4,
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{
"id": "jvasp-78376",
"created_at": "2022-09-04T14:37:51.945560Z",
"updated_at": "2022-09-04T14:37:51.945580Z",
"structure_string": "Sc2\n1.0\n-1.645389 -2.849785 0.000000\n-1.645389 2.849785 -0.000000\n0.000000 0.000000 -5.104463\nSc\n2\ndirect\n0.666688 0.333313 0.750000 Sc\n0.333313 0.666688 0.250000 Sc\n",
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{
"id": "jvasp-63923",
"created_at": "2022-09-04T14:37:51.928969Z",
"updated_at": "2022-09-04T14:37:51.928993Z",
"structure_string": "Ba4 Cd1 Pd1\n1.0\n0.000000 4.928214 4.928214\n4.928214 -0.000000 4.928214\n4.928214 4.928214 -0.000000\nBa Cd Pd\n4 1 1\ndirect\n0.123279 0.625574 0.625574 Ba\n0.625574 0.625574 0.625574 Ba\n0.625574 0.123279 0.625574 Ba\n0.625574 0.625574 0.123279 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
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{
"id": "jvasp-5449",
"created_at": "2022-09-04T14:38:01.751895Z",
"updated_at": "2022-09-04T14:38:01.751930Z",
"structure_string": "Pb4 Br8\n1.0\n4.759235 0.000000 0.000000\n0.000000 8.039449 0.000000\n0.000000 0.000000 9.669496\nPb Br\n4 8\ndirect\n0.250000 0.734148 0.588852 Pb\n0.750001 0.265852 0.411148 Pb\n0.250000 0.234148 0.911148 Pb\n0.750001 0.765852 0.088852 Pb\n0.250000 0.515438 0.338355 Br\n0.750001 0.484562 0.661646 Br\n0.250000 0.015438 0.161646 Br\n0.750001 0.984562 0.838355 Br\n0.750001 0.358237 0.081505 Br\n0.250000 0.641763 0.918495 Br\n0.750001 0.858237 0.418495 Br\n0.250000 0.141763 0.581506 Br\n",
"nsites": 12,
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"elements": [
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"density": 6.588967228003749,
"density_atomic": 0.032435005332672344,
"volume": 369.97064982481106,
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"formula_full": "Pb4 Br8",
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"spacegroup": 62
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{
"id": "jvasp-32273",
"created_at": "2022-09-04T14:38:01.641195Z",
"updated_at": "2022-09-04T14:38:01.641210Z",
"structure_string": "Bi2 Cl2 F16\n1.0\n5.085801 -0.084131 -0.421873\n-0.316959 5.709180 -0.104930\n-0.123874 0.034153 10.508914\nBi Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 -0.000000 0.500000 Bi\n0.570834 0.603236 0.248426 Cl\n0.429166 0.396764 0.751574 Cl\n0.188225 0.325905 0.570256 F\n0.811775 0.674095 0.429743 F\n0.118130 0.218813 0.851085 F\n0.881870 0.781187 0.148915 F\n0.642191 0.951568 0.894986 F\n0.357809 0.048432 0.105014 F\n0.818687 0.170812 0.351535 F\n0.644648 0.531961 0.669013 F\n0.355353 0.468039 0.330987 F\n0.601019 0.448166 0.888579 F\n0.398981 0.551834 0.111420 F\n0.300563 0.947727 0.390457 F\n0.699437 0.052273 0.609542 F\n0.181313 0.829187 0.648464 F\n0.888281 0.288174 0.090872 F\n0.111719 0.711826 0.909128 F\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-36956",
"created_at": "2022-09-04T14:38:01.656536Z",
"updated_at": "2022-09-04T14:38:01.656557Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n-7.024037 -0.000039 3.949242\n-4.622267 6.600626 0.000024\n-6.440260 0.408792 -3.233481\nIn Sn Cl\n2 2 6\ndirect\n0.892817 0.892816 0.321552 In\n0.107184 0.107185 0.678449 In\n0.649961 0.649960 0.050120 Sn\n0.350039 0.350040 0.949881 Sn\n0.503587 0.734354 0.744184 Cl\n0.017874 0.503588 0.744184 Cl\n0.734354 0.017875 0.744183 Cl\n0.496413 0.265646 0.255818 Cl\n0.265645 0.982125 0.255817 Cl\n0.982124 0.496413 0.255819 Cl\n",
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"formula_full": "In2 Sn2 Cl6",
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{
"id": "jvasp-106873",
"created_at": "2022-09-04T14:37:51.917614Z",
"updated_at": "2022-09-04T14:37:51.917637Z",
"structure_string": "Zn1 Co1 F6\n1.0\n4.360627 0.109117 2.876143\n1.604344 4.056237 2.876143\n0.156261 0.109117 5.221385\nZn Co F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Zn\n0.000000 0.000000 0.000000 Co\n0.615018 0.919257 0.229085 F\n0.919256 0.229088 0.615017 F\n0.770913 0.384982 0.080743 F\n0.080743 0.770914 0.384980 F\n0.384981 0.080745 0.770912 F\n0.229086 0.615020 0.919254 F\n",
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"volume": 88.8014493037391,
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{
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"created_at": "2022-09-04T14:38:01.781630Z",
"updated_at": "2022-09-04T14:38:01.781654Z",
"structure_string": "Yb1 Cd2 Sb2\n1.0\n2.343431 -4.058942 -0.000000\n2.343431 4.058942 -0.000000\n0.000000 0.000000 7.542904\nYb Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.631873 Cd\n0.333333 0.666667 0.368126 Cd\n0.666667 0.333333 0.230793 Sb\n0.333333 0.666667 0.769207 Sb\n",
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{
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"structure_string": "Rb2 Tl1 In1 Cl6\n1.0\n-0.000000 5.497073 5.497073\n5.497073 -0.000000 5.497073\n5.497073 5.497073 0.000000\nRb Tl In Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.230254 0.769746 0.769746 Cl\n0.230254 0.769746 0.230254 Cl\n0.769746 0.230254 0.769746 Cl\n0.769746 0.769746 0.230254 Cl\n0.230254 0.230254 0.769746 Cl\n0.769746 0.230254 0.230254 Cl\n",
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