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{
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"nelements": 4,
"elements": [
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"formula_full": "Ag12 Ge6 S36 O126",
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"updated_at": "2021-11-28T01:36:37.300000Z",
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},
{
"id": "mp-1197599",
"created_at": "2022-09-04T14:45:09.599122Z",
"structure_string": "Ag12 Sn6 S36 O126\n1.0\n0.000007 -0.000001 -10.613422\n-8.495337 -14.714362 0.000004\n-8.495355 14.714373 0.000007\nAg Sn S O\n12 6 36 126\ndirect\n0.436190 0.997303 0.635967 Ag\n0.436190 0.364032 0.361335 Ag\n0.436191 0.638665 0.002698 Ag\n0.563810 0.002697 0.364033 Ag\n0.563810 0.635969 0.638665 Ag\n0.563809 0.361335 0.997302 Ag\n0.923343 0.010897 0.696906 Ag\n0.923344 0.303091 0.313989 Ag\n0.923343 0.686012 0.989104 Ag\n0.076657 0.989103 0.303094 Ag\n0.076656 0.696909 0.686011 Ag\n0.076657 0.313988 0.010896 Ag\n0.218041 0.666683 0.333342 Sn\n0.781959 0.333317 0.666658 Sn\n0.275284 0.333319 0.666660 Sn\n0.724716 0.666681 0.333340 Sn\n0.743531 -0.000000 0.000000 Sn\n0.256469 0.000000 -0.000000 Sn\n0.165051 0.517233 0.841898 S\n0.165052 0.158103 0.675338 S\n0.165050 0.324667 0.482768 S\n0.834949 0.482767 0.158102 S\n0.834948 0.841897 0.324662 S\n0.834950 0.675333 0.517232 S\n0.142486 0.647095 0.139683 S\n0.142485 0.860316 0.507414 S\n0.142483 0.492587 0.352901 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"formula_full": "Ag12 Sn6 S36 O126",
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{
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0.444986 0.396171 H\n0.085671 0.623285 0.047142 H\n0.414329 0.876715 0.547142 H\n0.914329 0.376715 0.952858 H\n0.585671 0.123285 0.452858 H\n0.043539 0.688047 0.000965 H\n0.456461 0.811953 0.500965 H\n0.956461 0.311953 0.999035 H\n0.543539 0.188047 0.499035 H\n0.411404 0.229812 0.195104 I\n0.088596 0.270188 0.695104 I\n0.588596 0.770188 0.804896 I\n0.911404 0.729812 0.304896 I\n0.010017 0.050331 0.297531 I\n0.489983 0.449669 0.797531 I\n0.989983 0.949669 0.702469 I\n0.510017 0.550331 0.202469 I\n0.024108 0.578985 0.182524 I\n0.475892 0.921015 0.682524 I\n0.975892 0.421015 0.817476 I\n0.524108 0.078985 0.317476 I\n0.766994 0.904396 0.194821 I\n0.733006 0.595604 0.694821 I\n0.233006 0.095604 0.805179 I\n0.266994 0.404396 0.305179 I\n0.883969 0.770194 0.085614 I\n0.616031 0.729806 0.585614 I\n0.116031 0.229806 0.914386 I\n0.383969 0.270194 0.414386 I\n0.194506 0.422680 0.083181 I\n0.305494 0.077320 0.583181 I\n0.805494 0.577320 0.916819 I\n0.694506 0.922680 0.416819 I\n0.904842 0.232137 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O\n0.696928 0.024245 0.044949 O\n0.803072 0.475755 0.544949 O\n0.303072 0.975754 0.955051 O\n0.196928 0.524246 0.455051 O\n0.278822 0.022252 0.225838 O\n0.221178 0.477748 0.725838 O\n0.721178 0.977748 0.774162 O\n0.778822 0.522252 0.274162 O\n0.457770 0.920639 0.163232 O\n0.042230 0.579361 0.663232 O\n0.542230 0.079361 0.836768 O\n0.957770 0.420639 0.336768 O\n0.158532 0.915198 0.130619 O\n0.341468 0.584802 0.630619 O\n0.841468 0.084802 0.869381 O\n0.658532 0.415198 0.369381 O\n0.074398 0.693074 0.038424 O\n0.425602 0.806926 0.538424 O\n0.925602 0.306926 0.961576 O\n0.574398 0.193074 0.461576 O\n",
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"nelements": 4,
"elements": [
"Rb",
"H",
"I",
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],
"chemical_system": "H-I-O-Rb",
"density": 4.227935837549862,
"density_atomic": 0.062385422317900015,
"volume": 2885.2894364129884,
"volume_molar": 9.65312173301116,
"formula_full": "Rb12 H24 I36 O108",
"formula_reduced": "RbH2(IO3)3",
"formula_anonymous": "AB2C3D9",
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"updated_at": "2021-11-28T01:38:32.395000Z",
"spacegroup": 14
},
{
"id": "mp-1182704",
"created_at": "2022-09-04T14:44:14.878232Z",
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Zn\n0.968782 0.084356 0.319963 Zn\n0.474214 0.248766 0.191933 Zn\n0.525786 0.751234 0.691933 Zn\n0.474214 0.251234 0.691933 Zn\n0.525786 0.748766 0.191933 Zn\n0.956982 0.745816 0.813534 Zn\n0.043018 0.254184 0.313534 Zn\n0.956982 0.754184 0.313534 Zn\n0.043018 0.245816 0.813534 Zn\n0.599505 0.525196 0.942427 P\n0.400495 0.474804 0.442427 P\n0.599505 0.974804 0.442427 P\n0.400495 0.025196 0.942427 P\n0.897559 0.520579 0.564488 P\n0.102441 0.479421 0.064488 P\n0.897559 0.979421 0.064488 P\n0.102441 0.020579 0.564488 P\n0.595543 0.644740 0.452434 P\n0.404457 0.355260 0.952434 P\n0.595543 0.855260 0.952434 P\n0.404457 0.144740 0.452434 P\n0.891902 0.643370 0.071912 P\n0.108098 0.356629 0.571912 P\n0.891902 0.856630 0.571912 P\n0.108098 0.143371 0.071912 P\n0.609151 0.312265 0.447311 P\n0.390849 0.687735 0.947311 P\n0.609151 0.187735 0.947311 P\n0.390849 0.812265 0.447311 P\n0.906704 0.308900 0.068267 P\n0.093296 0.691100 0.568267 P\n0.906704 0.191100 0.568267 P\n0.093296 0.808900 0.068267 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"elements": [
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],
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"density": 3.060713915187732,
"density_atomic": 0.0703804330173444,
"volume": 2557.529021676255,
"volume_molar": 8.556555425733055,
"formula_full": "Ca12 Zn24 P24 O120",
"formula_reduced": "CaZn2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -1147.26666052,
"energy_per_atom": -6.373703669555555,
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"total_magnetization": 24.0000083,
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"updated_at": "2021-11-28T01:36:36.487000Z",
"spacegroup": 29
},
{
"id": "mp-600109",
"created_at": "2022-09-04T14:42:43.061249Z",
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{
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{
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"updated_at": "2021-11-28T01:38:09.191000Z",
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},
{
"id": "mp-1229316",
"created_at": "2022-09-04T14:39:26.911628Z",
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}
]
}