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{
"id": "jvasp-49788",
"created_at": "2022-09-04T14:35:53.603284Z",
"updated_at": "2022-09-04T14:35:53.603311Z",
"structure_string": "K8 Ti2 O8\n1.0\n4.873719 4.952779 0.000000\n-4.873719 4.952779 0.000000\n0.000000 -0.000000 7.061634\nK Ti O\n8 2 8\ndirect\n0.164668 0.835332 0.500000 K\n0.164668 0.835332 0.000000 K\n0.540901 0.853862 0.250000 K\n0.146139 0.459100 0.750000 K\n0.459100 0.146139 0.750000 K\n0.853862 0.540901 0.250000 K\n0.835332 0.164668 0.000000 K\n0.835332 0.164668 0.500000 K\n0.681157 0.681157 0.750000 Ti\n0.318843 0.318843 0.250000 Ti\n0.257390 0.578465 0.250000 O\n0.421535 0.742610 0.750000 O\n0.208415 0.208415 0.036570 O\n0.208415 0.208415 0.463430 O\n0.791585 0.791585 0.963429 O\n0.791585 0.791585 0.536570 O\n0.742610 0.421535 0.750000 O\n0.578465 0.257390 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:35:53.644130Z",
"structure_string": "Lu2 Ga4 Pd2\n1.0\n4.370700 0.000000 -0.000000\n-2.185350 4.993382 0.000000\n0.000000 -0.000000 6.551938\nLu Ga Pd\n2 4 2\ndirect\n0.411705 0.823411 0.250000 Lu\n0.588295 0.176588 0.750000 Lu\n0.126286 0.252570 0.448792 Ga\n0.873714 0.747429 0.551209 Ga\n0.126286 0.252570 0.051209 Ga\n0.873714 0.747429 0.948792 Ga\n0.699923 0.399847 0.250000 Pd\n0.300077 0.600153 0.750000 Pd\n",
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"formula_full": "Lu2 Ga4 Pd2",
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{
"id": "jvasp-86130",
"created_at": "2022-09-04T14:35:53.720913Z",
"updated_at": "2022-09-04T14:35:53.720928Z",
"structure_string": "K2 Hg2 C4 I2 N4\n1.0\n4.376511 0.000000 0.000000\n-2.188256 8.057339 0.000000\n0.000000 -0.000000 9.700226\nK Hg C I N\n2 2 4 2 4\ndirect\n0.764126 0.528254 0.750000 K\n0.235873 0.471746 0.250000 K\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.877261 0.754526 0.057038 C\n0.122738 0.245474 0.942963 C\n0.122738 0.245474 0.557038 C\n0.877261 0.754526 0.442963 C\n0.553926 0.107852 0.250000 I\n0.446073 0.892149 0.750000 I\n0.807230 0.614463 0.087364 N\n0.192768 0.385537 0.587364 N\n0.807230 0.614463 0.412636 N\n0.192768 0.385537 0.912636 N\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "C-Hg-I-K-N",
"density": 4.064483889258924,
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"volume": 342.05938725842606,
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"formula_full": "K2 Hg2 C4 I2 N4",
"formula_reduced": "KHgC2IN2",
"formula_anonymous": "ABCD2E2",
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{
"id": "jvasp-86842",
"created_at": "2022-09-04T14:35:53.866324Z",
"updated_at": "2022-09-04T14:35:53.866351Z",
"structure_string": "U4 Re8\n1.0\n5.379830 0.157200 -0.000000\n-2.321988 4.855477 0.000000\n-0.000000 0.000000 8.275772\nU Re\n4 8\ndirect\n0.337473 0.662528 0.585490 U\n0.662527 0.337473 0.085490 U\n0.662527 0.337473 0.414510 U\n0.337473 0.662528 0.914510 U\n0.175438 0.824563 0.250000 Re\n0.167098 0.341328 0.250000 Re\n0.832902 0.658672 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.658672 0.832902 0.250000 Re\n0.341328 0.167098 0.750000 Re\n0.824562 0.175438 0.750000 Re\n0.000000 0.000000 0.500000 Re\n",
"nsites": 12,
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"elements": [
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"density": 18.49773155103818,
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"formula_full": "U4 Re8",
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{
"id": "jvasp-18658",
"created_at": "2022-09-04T14:35:53.916644Z",
"updated_at": "2022-09-04T14:35:53.916663Z",
"structure_string": "Tm2 Cd6\n1.0\n4.820707 0.000000 -0.000000\n0.000000 5.931772 -2.488562\n0.000000 -0.036634 6.432535\nTm Cd\n2 6\ndirect\n0.750000 0.366635 0.633366 Tm\n0.250000 0.633365 0.366635 Tm\n0.750000 0.822610 0.177390 Cd\n0.250000 0.177390 0.822611 Cd\n0.750000 0.313454 0.122946 Cd\n0.250000 0.686546 0.877056 Cd\n0.250000 0.122946 0.313455 Cd\n0.750000 0.877055 0.686546 Cd\n",
"nsites": 8,
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"spacegroup": 63
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{
"id": "jvasp-98176",
"created_at": "2022-09-04T14:35:54.162420Z",
"updated_at": "2022-09-04T14:35:54.162442Z",
"structure_string": "La2 Au2\n1.0\n-3.988147 -0.000000 0.000000\n-0.000000 -0.000000 -4.841414\n1.994073 -5.755818 0.000000\nLa Au\n2 2\ndirect\n0.865017 0.749999 0.730031 La\n0.134985 0.250000 0.269969 La\n0.590073 0.749999 0.180145 Au\n0.409929 0.250000 0.819855 Au\n",
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{
"id": "jvasp-91621",
"created_at": "2022-09-04T14:35:54.278002Z",
"updated_at": "2022-09-04T14:35:54.278027Z",
"structure_string": "Sr2 Cd4 Pd2\n1.0\n4.469896 -0.000000 -0.000000\n-2.234948 5.331229 0.000000\n-0.000000 0.000000 8.140413\nSr Cd Pd\n2 4 2\ndirect\n0.065965 0.131930 0.250000 Sr\n0.934035 0.868070 0.750000 Sr\n0.355629 0.711257 0.445229 Cd\n0.644372 0.288743 0.554770 Cd\n0.355629 0.711257 0.054771 Cd\n0.644372 0.288743 0.945229 Cd\n0.779052 0.558104 0.250000 Pd\n0.220948 0.441896 0.750000 Pd\n",
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{
"id": "jvasp-90685",
"created_at": "2022-09-04T14:35:55.630263Z",
"updated_at": "2022-09-04T14:35:55.630289Z",
"structure_string": "Ce2 Cu2 Ge4\n1.0\n0.000000 -0.000000 -4.341489\n-4.272196 0.000000 0.000000\n2.136098 8.422028 0.000000\nCe Cu Ge\n2 2 4\ndirect\n0.750000 0.105274 0.210548 Ce\n0.250000 0.894726 0.789452 Ce\n0.750000 0.322510 0.645018 Cu\n0.250000 0.677491 0.354982 Cu\n0.750000 0.462650 0.925298 Ge\n0.250000 0.537351 0.074702 Ge\n0.750000 0.749545 0.499090 Ge\n0.250000 0.250455 0.500910 Ge\n",
"nsites": 8,
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{
"id": "jvasp-91649",
"created_at": "2022-09-04T14:35:54.633633Z",
"updated_at": "2022-09-04T14:35:54.633662Z",
"structure_string": "Zr6 Co2\n1.0\n0.000000 0.000000 -3.306401\n-3.044651 -8.242747 0.000000\n-3.044651 8.242747 -0.000000\nZr Co\n6 2\ndirect\n0.750000 0.158018 0.325596 Zr\n0.750000 0.227612 0.772388 Zr\n0.750000 0.674404 0.841982 Zr\n0.250000 0.841982 0.674404 Zr\n0.250000 0.772388 0.227612 Zr\n0.250000 0.325596 0.158018 Zr\n0.750000 0.653931 0.346069 Co\n0.250000 0.346069 0.653931 Co\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:35:54.634940Z",
"updated_at": "2022-09-04T14:35:54.634957Z",
"structure_string": "Li2 Ag2 F4\n1.0\n0.000000 3.065106 0.000524\n5.596410 0.000000 0.000000\n0.000000 -1.529127 -5.706264\nLi Ag F\n2 2 4\ndirect\n0.104923 0.750000 0.210249 Li\n0.895078 0.250000 0.789751 Li\n0.367815 0.750000 0.735580 Ag\n0.632185 0.250000 0.264420 Ag\n0.304235 0.250000 0.607809 F\n0.695765 0.750000 0.392191 F\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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{
"id": "jvasp-52548",
"created_at": "2022-09-04T14:35:54.640681Z",
"updated_at": "2022-09-04T14:35:54.640708Z",
"structure_string": "Ba2 Tm4 O8\n1.0\n3.393052 0.000000 0.000000\n-1.696526 5.579194 -0.000000\n0.000000 0.000000 11.365577\nBa Tm O\n2 4 8\ndirect\n0.113013 0.226026 0.250000 Ba\n0.886985 0.773973 0.750000 Ba\n0.365525 0.731054 0.429857 Tm\n0.365525 0.731054 0.070143 Tm\n0.634473 0.268946 0.570143 Tm\n0.634473 0.268946 0.929857 Tm\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.433171 0.866345 0.250000 O\n0.260088 0.520179 0.600776 O\n0.260088 0.520179 0.899225 O\n0.566827 0.133654 0.750000 O\n0.739910 0.479820 0.399224 O\n0.739910 0.479820 0.100776 O\n",
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{
"id": "jvasp-91836",
"created_at": "2022-09-04T14:35:54.894329Z",
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"structure_string": "Ca2 Sn4 Rh2\n1.0\n4.370874 0.000000 0.000000\n-2.185437 5.466193 0.000000\n0.000000 -0.000000 7.576317\nCa Sn Rh\n2 4 2\ndirect\n0.067491 0.134984 0.750000 Ca\n0.932507 0.865015 0.250000 Ca\n0.356283 0.712568 0.954046 Sn\n0.643715 0.287432 0.045954 Sn\n0.643715 0.287432 0.454046 Sn\n0.356283 0.712568 0.545954 Sn\n0.790589 0.581180 0.750000 Rh\n0.209409 0.418819 0.250000 Rh\n",
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}