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"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
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{
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"structure_string": "Ba1 Te1\n1.0\n8.110718 0.000000 0.000000\n0.000000 8.110718 -0.000000\n0.000000 -0.000000 6.406293\nBa Te\n1 1\ndirect\n0.000000 0.000000 0.750002 Ba\n0.000000 0.000000 0.249998 Te\n",
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"structure_string": "K2 Rb1 Sb1 Br6\n1.0\n7.288174 -0.000000 4.207829\n2.429391 6.871356 4.207829\n-0.000000 -0.000000 8.415658\nK Rb Sb Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.764919 0.235081 0.235081 Br\n0.235081 0.235081 0.764919 Br\n0.235080 0.764920 0.764919 Br\n0.235080 0.764920 0.235081 Br\n0.764919 0.235081 0.764920 Br\n0.764919 0.764920 0.235081 Br\n",
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{
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"structure_string": "Nd1 Sb12 Os4\n1.0\n7.712983 -0.000000 -2.726951\n-3.856492 6.679640 -2.726951\n0.000000 0.000000 8.180855\nNd Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.505179 0.661488 0.843690 Sb\n0.843690 0.505179 0.661487 Sb\n0.661487 0.156309 0.817796 Sb\n0.843690 0.182203 0.338512 Sb\n0.156309 0.817797 0.661487 Sb\n0.661487 0.843691 0.505179 Sb\n0.494821 0.338512 0.156309 Sb\n0.156309 0.494821 0.338512 Sb\n0.338512 0.156309 0.494820 Sb\n0.182203 0.338512 0.843690 Sb\n0.817797 0.661488 0.156309 Sb\n0.338513 0.843691 0.182203 Sb\n0.500000 0.500000 0.500000 Os\n-0.000000 -0.000000 0.500000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
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"created_at": "2022-09-04T14:38:36.645636Z",
"updated_at": "2022-09-04T14:38:36.645656Z",
"structure_string": "Rb2 Sb1 Au1 I6\n1.0\n7.290098 -0.000000 4.208940\n2.430033 6.873170 4.208940\n-0.000000 -0.000000 8.417880\nRb Sb Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.746155 0.253845 0.253845 I\n0.253845 0.253845 0.746155 I\n0.253845 0.746155 0.746155 I\n0.253845 0.746155 0.253845 I\n0.746155 0.253845 0.746155 I\n0.746155 0.746155 0.253845 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"I"
],
"chemical_system": "Au-I-Rb-Sb",
"density": 4.925429605748747,
"density_atomic": 0.02370864955277828,
"volume": 421.78699287527144,
"volume_molar": 25.40060641832002,
"formula_full": "Rb2 Sb1 Au1 I6",
"formula_reduced": "Rb2SbAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}