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{
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"structure_string": "Pt4 N8 Cl8 O8\n1.0\n5.914640 0.000000 0.000000\n0.000000 5.914640 0.000000\n0.000000 0.000000 14.994185\nPt N Cl O\n4 8 8 8\ndirect\n0.500000 0.500000 0.206806 Pt\n0.000000 0.000000 0.706806 Pt\n0.000000 0.000000 0.293194 Pt\n0.500000 0.500000 0.793194 Pt\n0.500000 0.183640 0.304083 N\n0.500000 0.816360 0.304083 N\n0.683640 0.000000 0.804083 N\n0.316360 0.000000 0.804083 N\n0.000000 0.316360 0.195917 N\n0.000000 0.683640 0.195917 N\n0.816360 0.500000 0.695917 N\n0.183640 0.500000 0.695917 N\n0.500000 0.240609 0.092664 Cl\n0.500000 0.759391 0.092664 Cl\n0.740609 0.000000 0.592664 Cl\n0.259391 0.000000 0.592664 Cl\n0.000000 0.259391 0.407336 Cl\n0.000000 0.740609 0.407336 Cl\n0.759391 0.500000 0.907336 Cl\n0.240609 0.500000 0.907336 Cl\n0.165105 0.500000 0.229239 O\n0.834895 0.500000 0.229239 O\n0.000000 0.665105 0.729239 O\n0.000000 0.334895 0.729239 O\n0.334895 0.000000 0.270761 O\n0.665105 0.000000 0.270761 O\n0.500000 0.834895 0.770761 O\n0.500000 0.165105 0.770761 O\n",
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{
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"structure_string": "Pt1 N4 Cl2 O2\n1.0\n2.448597 6.329986 0.000000\n-2.448597 6.329986 0.000000\n0.000000 0.650734 5.623870\nPt N Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.861656 0.303775 0.741107 N\n0.303775 0.861656 0.741107 N\n0.138344 0.696225 0.258893 N\n0.696225 0.138344 0.258893 N\n0.311488 0.311488 0.119454 Cl\n0.688512 0.688512 0.880546 Cl\n0.863308 0.863308 0.369083 O\n0.136692 0.136692 0.630917 O\n",
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"elements": [
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"formula_full": "Pt1 N4 Cl2 O2",
"formula_reduced": "PtN4(ClO)2",
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"updated_at": "2021-11-28T01:34:50.820000Z",
"spacegroup": 12
},
{
"id": "mp-1179833",
"created_at": "2022-09-04T14:47:26.408107Z",
"structure_string": "Pt1 Rh2 N10 Cl10\n1.0\n4.060988 5.410068 0.000000\n-4.060988 5.410068 0.000000\n0.000000 0.877324 10.869658\nPt Rh N Cl\n1 2 10 10\ndirect\n0.000000 0.000000 0.500000 Pt\n0.331776 0.331776 0.794268 Rh\n0.668224 0.668224 0.205732 Rh\n0.505378 0.505378 0.742856 N\n0.494622 0.494622 0.257144 N\n0.197809 0.561183 0.929245 N\n0.561183 0.197809 0.929245 N\n0.802191 0.438817 0.070755 N\n0.438817 0.802191 0.070755 N\n0.115296 0.438523 0.691779 N\n0.438523 0.115296 0.691779 N\n0.884704 0.561477 0.308221 N\n0.561477 0.884704 0.308221 N\n0.153564 0.153564 0.932148 Cl\n0.846436 0.846436 0.067852 Cl\n0.955090 0.955090 0.712776 Cl\n0.044910 0.044910 0.287224 Cl\n0.212482 0.212482 0.522534 Cl\n0.787518 0.787518 0.477466 Cl\n0.712957 0.287043 0.500000 Cl\n0.287043 0.712957 0.500000 Cl\n0.612780 0.612780 0.834645 Cl\n0.387220 0.387220 0.165355 Cl\n",
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"elements": [
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"formula_full": "Pt1 Rh2 N10 Cl10",
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},
{
"id": "mp-557029",
"created_at": "2022-09-04T14:39:47.013237Z",
"structure_string": "Pt4 S16 N12 Cl4\n1.0\n5.478008 0.000000 0.000000\n0.000000 11.423535 0.000000\n0.000000 0.000000 13.827156\nPt S N Cl\n4 16 12 4\ndirect\n0.481954 0.672179 0.250000 Pt\n0.518046 0.327821 0.750000 Pt\n0.018046 0.172179 0.250000 Pt\n0.981954 0.827821 0.750000 Pt\n0.467197 0.668501 0.413193 S\n0.902105 0.490785 0.643170 S\n0.597895 0.990785 0.856830 S\n0.532803 0.331499 0.913193 S\n0.032803 0.168501 0.086807 S\n0.967197 0.831499 0.913193 S\n0.402105 0.009215 0.356830 S\n0.097895 0.509215 0.356830 S\n0.967197 0.831499 0.586807 S\n0.032803 0.168501 0.413193 S\n0.467197 0.668501 0.086807 S\n0.532803 0.331499 0.586807 S\n0.597895 0.990785 0.643170 S\n0.902105 0.490785 0.856830 S\n0.097895 0.509215 0.143170 S\n0.402105 0.009215 0.143170 S\n0.252384 0.075650 0.063840 N\n0.752384 0.424350 0.936160 N\n0.747616 0.924350 0.563840 N\n0.247616 0.575650 0.436160 N\n0.784683 0.445764 0.750000 N\n0.747616 0.924350 0.936160 N\n0.752384 0.424350 0.563840 N\n0.247616 0.575650 0.063840 N\n0.715317 0.945764 0.750000 N\n0.284683 0.054236 0.250000 N\n0.252384 0.075650 0.436160 N\n0.215317 0.554236 0.250000 N\n0.789629 0.813164 0.250000 Cl\n0.210371 0.186836 0.750000 Cl\n0.289629 0.686836 0.750000 Cl\n0.710371 0.313164 0.250000 Cl\n",
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"elements": [
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"chemical_system": "Cl-N-Pt-S",
"density": 3.0768001554885354,
"density_atomic": 0.041605089378248944,
"volume": 865.278756469172,
"volume_molar": 14.474529078041984,
"formula_full": "Pt4 S16 N12 Cl4",
"formula_reduced": "PtS4N3Cl",
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"energy": -194.0814805,
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"updated_at": "2021-11-28T01:34:26.563000Z",
"spacegroup": 62
},
{
"id": "mp-1104583",
"created_at": "2022-09-04T14:42:12.367443Z",
"structure_string": "Pt1 S2 N4 O8\n1.0\n3.877757 5.397517 0.000000\n-3.877757 5.397517 0.000000\n0.000000 2.162372 5.680831\nPt S N O\n1 2 4 8\ndirect\n0.000000 0.000000 0.000000 Pt\n0.703903 0.703903 0.363773 S\n0.296097 0.296097 0.636227 S\n0.738425 0.261575 0.000000 N\n0.261575 0.738425 0.000000 N\n0.867821 0.867821 0.825510 N\n0.132179 0.132179 0.174490 N\n0.521172 0.832690 0.250682 O\n0.478828 0.167310 0.749318 O\n0.167310 0.478828 0.749318 O\n0.832690 0.521172 0.250682 O\n0.857568 0.857568 0.323717 O\n0.142432 0.142432 0.676283 O\n0.640034 0.640034 0.619063 O\n0.359966 0.359966 0.380937 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "N-O-Pt-S",
"density": 3.095049860523359,
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"volume": 237.80253207263723,
"volume_molar": 9.547202141505574,
"formula_full": "Pt1 S2 N4 O8",
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"spacegroup": 12
},
{
"id": "mp-1194493",
"created_at": "2022-09-04T14:44:08.177551Z",
"structure_string": "Pt2 S4 N2 O18\n1.0\n7.662609 0.000000 0.000000\n-1.414065 7.600321 0.000000\n-2.708681 -2.232383 6.989456\nPt S N O\n2 4 2 18\ndirect\n0.632745 0.956197 0.125483 Pt\n0.367255 0.043803 0.874517 Pt\n0.718350 0.381318 0.175169 S\n0.281650 0.618682 0.824831 S\n0.699542 0.957769 0.750373 S\n0.300458 0.042231 0.249627 S\n0.724443 0.473193 0.724533 N\n0.275557 0.526807 0.275467 N\n0.548529 0.300098 0.968999 O\n0.451471 0.699902 0.031001 O\n0.805513 0.217140 0.210901 O\n0.194487 0.782860 0.789099 O\n0.637757 0.435899 0.313360 O\n0.362243 0.564101 0.686640 O\n0.864656 0.517943 0.162366 O\n0.135344 0.482057 0.837634 O\n0.709113 0.817634 0.602196 O\n0.290887 0.182366 0.397804 O\n0.822579 0.143831 0.806623 O\n0.177421 0.856169 0.193377 O\n0.742216 0.884628 0.929374 O\n0.257784 0.115372 0.070626 O\n0.481823 0.961894 0.685423 O\n0.518177 0.038106 0.314577 O\n0.837828 0.892275 0.317135 O\n0.162172 0.107725 0.682865 O\n",
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{
"id": "mp-1188087",
"created_at": "2022-09-04T14:48:16.475853Z",
"structure_string": "Pt2 S2 N8 O8\n1.0\n7.085349 0.000000 0.000000\n0.000000 7.085349 0.000000\n-3.542674 -3.542674 7.337857\nPt S N O\n2 2 8 8\ndirect\n0.250000 0.750000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.750000 0.250000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.435732 0.564268 0.500000 N\n0.064268 0.935732 0.500000 N\n0.185732 0.814268 0.000000 N\n0.814268 0.185732 0.000000 N\n0.064268 0.564268 0.500000 N\n0.435732 0.935732 0.500000 N\n0.814268 0.814268 0.000000 N\n0.185732 0.185732 0.000000 N\n0.857774 0.188989 0.377978 O\n0.520203 0.188989 0.377978 O\n0.729797 0.561011 0.122022 O\n0.392226 0.561011 0.122022 O\n0.811011 0.142226 0.622022 O\n0.811011 0.479797 0.622022 O\n0.438989 0.270203 0.877978 O\n0.438989 0.607774 0.877978 O\n",
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"formula_full": "Pt2 S2 N8 O8",
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},
{
"id": "mp-1180048",
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"structure_string": "Pt12 S12 N4 O56\n1.0\n10.134886 -6.059089 0.000000\n10.134886 6.059089 0.000000\n6.512491 0.000000 9.849666\nPt S N O\n12 12 4 56\ndirect\n0.197750 0.746803 0.151256 Pt\n0.746803 0.151256 0.197750 Pt\n0.151256 0.197750 0.746803 Pt\n0.802250 0.253197 0.848744 Pt\n0.253197 0.848744 0.802250 Pt\n0.848744 0.802250 0.253197 Pt\n0.273268 0.960231 0.017368 Pt\n0.960231 0.017368 0.273268 Pt\n0.017368 0.273268 0.960231 Pt\n0.726732 0.039769 0.982633 Pt\n0.039769 0.982633 0.726732 Pt\n0.982633 0.726732 0.039769 Pt\n0.255826 0.837278 0.319845 S\n0.837278 0.319845 0.255826 S\n0.319845 0.255826 0.837278 S\n0.744174 0.162722 0.680155 S\n0.162722 0.680155 0.744174 S\n0.680155 0.744174 0.162722 S\n0.488820 0.700965 0.946484 S\n0.700965 0.946484 0.488820 S\n0.946484 0.488820 0.700965 S\n0.511180 0.299035 0.053516 S\n0.299035 0.053516 0.511180 S\n0.053516 0.511180 0.299035 S\n0.602586 0.602586 0.602586 N\n0.397414 0.397414 0.397414 N\n0.795106 0.795106 0.795106 N\n0.204894 0.204894 0.204894 N\n0.088631 0.088631 0.088631 O\n0.911369 0.911369 0.911369 O\n0.002009 0.848684 0.235478 O\n0.848684 0.235478 0.002009 O\n0.235478 0.002009 0.848684 O\n0.997991 0.151316 0.764522 O\n0.151316 0.764522 0.997991 O\n0.764522 0.997991 0.151316 O\n0.112957 0.923005 0.372277 O\n0.923005 0.372277 0.112957 O\n0.372277 0.112957 0.923005 O\n0.887043 0.076995 0.627723 O\n0.076995 0.627723 0.887043 O\n0.627723 0.887043 0.076995 O\n0.323836 0.922085 0.176421 O\n0.922085 0.176421 0.323836 O\n0.176421 0.323836 0.922085 O\n0.676164 0.077915 0.823579 O\n0.077915 0.823579 0.676164 O\n0.823579 0.676164 0.077915 O\n0.208011 0.593883 0.667973 O\n0.593883 0.667973 0.208011 O\n0.667973 0.208011 0.593883 O\n0.791989 0.406117 0.332027 O\n0.406117 0.332027 0.791989 O\n0.332027 0.791989 0.406117 O\n0.252662 0.716085 0.305586 O\n0.716085 0.305586 0.252662 O\n0.305586 0.252662 0.716085 O\n0.747338 0.283915 0.694414 O\n0.283915 0.694414 0.747338 O\n0.694414 0.747338 0.283915 O\n0.464423 0.840907 0.947457 O\n0.840907 0.947457 0.464423 O\n0.947457 0.464423 0.840907 O\n0.535577 0.159093 0.052543 O\n0.159093 0.052543 0.535577 O\n0.052543 0.535577 0.159093 O\n0.627481 0.620068 0.933646 O\n0.620068 0.933646 0.627481 O\n0.933646 0.627481 0.620068 O\n0.372519 0.379932 0.066354 O\n0.379932 0.066354 0.372519 O\n0.066354 0.372519 0.379932 O\n0.395117 0.634153 0.082450 O\n0.634153 0.082450 0.395117 O\n0.082450 0.395117 0.634153 O\n0.604883 0.365847 0.917550 O\n0.365847 0.917550 0.604883 O\n0.917550 0.604883 0.365847 O\n0.166615 0.550218 0.279032 O\n0.550218 0.279032 0.166615 O\n0.279032 0.166615 0.550218 O\n0.833385 0.449782 0.720968 O\n0.449782 0.720968 0.833385 O\n0.720968 0.833385 0.449782 O\n",
"nsites": 84,
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"elements": [
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],
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"density": 5.048441017052338,
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"volume": 1209.7000520316694,
"volume_molar": 8.672599988945283,
"formula_full": "Pt12 S12 N4 O56",
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"energy": -520.91835975,
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"spacegroup": 148
},
{
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{
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{
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]
}