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"structure_string": "Ti12 Zn12 C4\n1.0\n5.777390 5.777512 0.000023\n0.000045 5.777490 5.777506\n5.777377 0.000036 5.777515\nTi Zn C\n12 12 4\ndirect\n0.567109 0.932892 0.932891 Ti\n0.317150 0.682850 0.317149 Ti\n0.317112 0.317109 0.682888 Ti\n0.317118 0.682882 0.682882 Ti\n0.682891 0.682889 0.317108 Ti\n0.682880 0.317120 0.317119 Ti\n0.682852 0.317148 0.682850 Ti\n0.932876 0.932875 0.567122 Ti\n0.932891 0.567109 0.567110 Ti\n0.567147 0.932856 0.567141 Ti\n0.567129 0.567122 0.932874 Ti\n0.932859 0.567139 0.932857 Ti\n0.914452 0.914464 0.914451 Zn\n0.124995 0.124998 0.125003 Zn\n0.125004 0.624998 0.125002 Zn\n0.125000 0.125001 0.624997 Zn\n0.625001 0.125004 0.125001 Zn\n0.914451 0.256638 0.914446 Zn\n0.335535 0.335550 0.993366 Zn\n0.256639 0.914448 0.914463 Zn\n0.335554 0.335538 0.335552 Zn\n0.335548 0.993365 0.335552 Zn\n0.993359 0.335551 0.335537 Zn\n0.914464 0.914444 0.256642 Zn\n0.624995 0.125001 0.625002 C\n0.125000 0.624994 0.625003 C\n0.625002 0.625002 0.125003 C\n0.625006 0.625003 0.624995 C\n",
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"structure_string": "Rb4 Au4 C8 S8 N8\n1.0\n6.133351 -0.000000 1.132315\n2.992248 6.348219 0.969304\n-0.005404 0.124122 17.206524\nRb Au C S N\n4 4 8 8 8\ndirect\n0.190737 0.702650 0.938953 Rb\n0.832340 0.797350 0.561046 Rb\n0.167660 0.202650 0.438954 Rb\n0.809264 0.297350 0.061046 Rb\n0.665198 0.250000 0.750000 Au\n0.334802 0.750000 0.250000 Au\n0.163276 0.250000 0.750000 Au\n0.836725 0.750000 0.250000 Au\n0.712588 0.109381 0.356195 C\n0.287413 0.890619 0.643804 C\n0.408463 0.133283 0.913900 C\n0.455646 0.366716 0.586100 C\n0.178164 0.390619 0.143805 C\n0.821837 0.609381 0.856195 C\n0.591538 0.866717 0.086100 C\n0.544355 0.633284 0.413900 C\n0.991060 0.609875 0.769708 S\n0.659786 0.167304 0.887124 S\n0.629357 0.109875 0.269708 S\n0.370644 0.890125 0.730291 S\n0.340214 0.832696 0.112876 S\n0.008941 0.390125 0.230291 S\n0.714215 0.332695 0.612876 S\n0.285786 0.667305 0.387124 S\n0.709480 0.614720 0.919366 N\n0.770097 0.888355 0.064622 N\n0.290521 0.385280 0.080634 N\n0.723073 0.611645 0.435378 N\n0.756435 0.114720 0.419366 N\n0.243566 0.885280 0.580634 N\n0.276927 0.388354 0.564622 N\n0.229904 0.111645 0.935378 N\n",
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"elements": [
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],
"chemical_system": "Au-C-N-Rb-S",
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"density_atomic": 0.047784572439924,
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"volume_molar": 12.602688383517906,
"formula_full": "Rb4 Au4 C8 S8 N8",
"formula_reduced": "RbAuC2(SN)2",
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},
{
"id": "jvasp-98409",
"created_at": "2022-09-04T14:35:46.195832Z",
"updated_at": "2022-09-04T14:35:46.195849Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.172300 3.641201 -0.274649\n-4.168142 3.643803 0.237419\n0.023327 -0.025676 7.329792\nH Pt O\n16 2 12\ndirect\n0.028843 0.025707 0.525787 H\n0.275694 0.121931 0.256949 H\n0.895105 0.376167 0.152626 H\n0.174142 0.527799 0.160208 H\n0.608335 0.116676 0.664657 H\n0.493045 0.832138 0.673872 H\n0.121039 0.591474 0.830443 H\n0.777534 0.400148 0.897273 H\n0.583967 0.226429 0.389038 H\n0.459715 0.547352 0.007183 H\n0.535510 0.473469 0.502143 H\n0.839315 0.748081 0.001552 H\n0.870943 0.832013 0.297405 H\n0.063565 0.051380 -0.020661 H\n0.157811 0.156851 0.727630 H\n0.381125 0.782534 0.412931 H\n0.009652 0.499355 0.502454 Pt\n0.510769 0.007228 0.005847 Pt\n0.602584 -0.035931 0.743404 O\n0.960720 0.573990 0.760263 O\n0.684465 0.354984 0.011796 O\n0.359676 0.656013 0.514864 O\n0.334393 0.661352 0.011438 O\n0.207007 0.146900 0.919309 O\n0.833407 0.885733 0.080620 O\n0.886382 0.815392 0.434789 O\n0.137402 0.178073 0.581608 O\n0.055631 0.405005 0.235962 O\n0.651117 0.338295 0.497808 O\n0.427507 0.046218 0.266541 O\n",
"nsites": 30,
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"elements": [
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],
"chemical_system": "H-O-Pt",
"density": 4.4606849258495105,
"density_atomic": 0.13469873891516407,
"volume": 222.7192343567121,
"volume_molar": 4.4708219308518276,
"formula_full": "H16 Pt2 O12",
"formula_reduced": "H8PtO6",
"formula_anonymous": "AB6C8",
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"spacegroup": 1
},
{
"id": "jvasp-98408",
"created_at": "2022-09-04T14:35:44.852127Z",
"updated_at": "2022-09-04T14:35:44.852163Z",
"structure_string": "Ga12 Cl28\n1.0\n8.851187 0.000000 0.000000\n0.000000 10.364258 0.000000\n0.000000 0.000000 11.661515\nGa Cl\n12 28\ndirect\n0.850720 0.130606 0.393502 Ga\n0.121225 0.263095 0.888401 Ga\n0.649281 0.130606 0.893502 Ga\n0.149281 0.630607 0.606498 Ga\n0.575840 0.496971 0.825902 Ga\n0.878776 0.763096 0.111598 Ga\n0.350720 0.630607 0.106498 Ga\n0.924160 0.496971 0.325902 Ga\n0.621225 0.763096 0.611598 Ga\n0.424160 -0.003029 0.174098 Ga\n0.075840 -0.003029 0.674098 Ga\n0.378776 0.263095 0.388401 Ga\n0.323722 0.936653 0.012351 Cl\n0.697029 0.820844 -0.003303 Cl\n0.248237 0.134152 0.257201 Cl\n0.982205 0.913874 0.213400 Cl\n0.960665 0.130880 0.971156 Cl\n0.460665 0.630880 0.528843 Cl\n0.627965 0.116728 0.157413 Cl\n0.251764 0.134152 0.757200 Cl\n0.446799 0.835296 0.291916 Cl\n0.176278 0.936653 0.512351 Cl\n0.372036 0.616729 0.842587 Cl\n0.872036 0.116728 0.657412 Cl\n0.053201 0.835296 0.791916 Cl\n0.039335 0.630880 0.028843 Cl\n0.539335 0.130880 0.471156 Cl\n0.748237 0.634152 0.242799 Cl\n0.482205 0.413874 0.286600 Cl\n0.802971 0.820844 0.496697 Cl\n0.302971 0.320844 0.003303 Cl\n0.676279 0.436653 0.987648 Cl\n0.823722 0.436653 0.487648 Cl\n0.017795 0.413874 0.786600 Cl\n0.751764 0.634152 0.742799 Cl\n0.197029 0.320844 0.503303 Cl\n0.127965 0.616729 0.342587 Cl\n0.946799 0.335296 0.208084 Cl\n0.517795 0.913874 0.713400 Cl\n0.553201 0.335296 0.708084 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-Ga",
"density": 2.8395764735317868,
"density_atomic": 0.03739084538483916,
"volume": 1069.7805729800048,
"volume_molar": 16.105922981997608,
"formula_full": "Ga12 Cl28",
"formula_reduced": "Ga3Cl7",
"formula_anonymous": "A3B7",
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"spacegroup": 33
}
]
}