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{
"id": "mp-605665",
"created_at": "2022-09-04T14:43:57.615254Z",
"structure_string": "H96 Ru4 C32 S16 Cl8\n1.0\n8.568968 0.000000 0.000000\n0.000000 14.328644 0.000000\n0.000000 0.000000 15.019503\nH Ru C S Cl\n96 4 32 16 8\ndirect\n0.963275 0.708763 0.100200 H\n0.333865 0.407841 0.374016 H\n0.720826 0.710442 0.652643 H\n0.582712 0.696012 0.860477 H\n0.665762 0.386613 0.193636 H\n0.115872 0.950785 0.581594 H\n0.899390 0.997763 0.309495 H\n0.508170 0.136738 0.296707 H\n0.803501 0.616048 0.247266 H\n0.633162 0.073931 0.906286 H\n0.615872 0.950785 0.918406 H\n0.600610 0.497763 0.309495 H\n0.220826 0.789558 0.347357 H\n0.680386 0.330997 0.856571 H\n0.303501 0.616048 0.252734 H\n0.819614 0.830997 0.856571 H\n0.463275 0.708763 0.399800 H\n0.991830 0.863262 0.796707 H\n0.384128 0.049215 0.081594 H\n0.536725 0.291237 0.600200 H\n0.866838 0.573931 0.906286 H\n0.779174 0.289558 0.152643 H\n0.833865 0.407841 0.125984 H\n0.082712 0.803988 0.139523 H\n0.884128 0.450785 0.918406 H\n0.633162 0.426069 0.406286 H\n0.866838 0.926069 0.406286 H\n0.220826 0.710442 0.847357 H\n0.917288 0.303988 0.360477 H\n0.166135 0.907841 0.374016 H\n0.133162 0.426069 0.093714 H\n0.389488 0.241013 0.528937 H\n0.803501 0.883952 0.747266 H\n0.917288 0.196012 0.860477 H\n0.384128 0.450785 0.581594 H\n0.100610 0.497763 0.190505 H\n0.666135 0.592159 0.625984 H\n0.720826 0.789558 0.152643 H\n0.463275 0.791237 0.899800 H\n0.417288 0.196012 0.639523 H\n0.366838 0.573931 0.593714 H\n0.991830 0.636738 0.296707 H\n0.303501 0.883952 0.752734 H\n0.319614 0.830997 0.643429 H\n0.491830 0.636738 0.203293 H\n0.899390 0.502237 0.809495 H\n0.417288 0.303988 0.139523 H\n0.279174 0.289558 0.347357 H\n0.334238 0.613387 0.806364 H\n0.008170 0.363262 0.703293 H\n0.389488 0.258987 0.028937 H\n0.333865 0.092159 0.874016 H\n0.600610 0.002237 0.809495 H\n0.399390 0.997763 0.190505 H\n0.884128 0.049215 0.418406 H\n0.779174 0.210442 0.652643 H\n0.166135 0.592159 0.874016 H\n0.491830 0.863262 0.703293 H\n0.399390 0.502237 0.690505 H\n0.665762 0.113387 0.693636 H\n0.196499 0.116048 0.252734 H\n0.610512 0.741013 0.971063 H\n0.680386 0.169003 0.356571 H\n0.819614 0.669003 0.356571 H\n0.082712 0.696012 0.639523 H\n0.666135 0.907841 0.125984 H\n0.334238 0.886613 0.306364 H\n0.889488 0.241013 0.971063 H\n0.963275 0.791237 0.600200 H\n0.036725 0.291237 0.899800 H\n0.366838 0.926069 0.093714 H\n0.110512 0.741013 0.528937 H\n0.008170 0.136738 0.203293 H\n0.165762 0.386613 0.306364 H\n0.536725 0.208763 0.100200 H\n0.834238 0.886613 0.193636 H\n0.165762 0.113387 0.806364 H\n0.196499 0.383952 0.752734 H\n0.279174 0.210442 0.847357 H\n0.615872 0.549215 0.418406 H\n0.110512 0.758987 0.028937 H\n0.508170 0.363262 0.796707 H\n0.610512 0.758987 0.471063 H\n0.696499 0.116048 0.247266 H\n0.582712 0.803988 0.360477 H\n0.834238 0.613387 0.693636 H\n0.036725 0.208763 0.399800 H\n0.180386 0.169003 0.143429 H\n0.833865 0.092159 0.625984 H\n0.115872 0.549215 0.081594 H\n0.180386 0.330997 0.643429 H\n0.889488 0.258987 0.471063 H\n0.696499 0.383952 0.747266 H\n0.100610 0.002237 0.690505 H\n0.319614 0.669003 0.143429 H\n0.133162 0.073931 0.593714 H\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.763413 0.639800 0.638209 C\n0.736587 0.360200 0.138209 C\n0.024522 0.772892 0.081629 C\n0.629854 0.381565 0.809928 C\n0.657971 0.493405 0.374847 C\n0.975478 0.227108 0.918371 C\n0.870146 0.881565 0.809928 C\n0.736587 0.139800 0.638209 C\n0.524522 0.727108 0.918371 C\n0.524522 0.772892 0.418371 C\n0.236587 0.139800 0.861791 C\n0.475478 0.272892 0.081629 C\n0.842029 0.993405 0.374847 C\n0.370146 0.618435 0.190072 C\n0.370146 0.881565 0.690072 C\n0.129854 0.118435 0.190072 C\n0.236587 0.360200 0.361791 C\n0.157971 0.006595 0.625153 C\n0.263413 0.639800 0.861791 C\n0.475478 0.227108 0.581629 C\n0.629854 0.118435 0.309928 C\n0.024522 0.727108 0.581629 C\n0.263413 0.860200 0.361791 C\n0.342029 0.506595 0.625153 C\n0.975478 0.272892 0.418371 C\n0.657971 0.006595 0.874847 C\n0.763413 0.860200 0.138209 C\n0.842029 0.506595 0.874847 C\n0.157971 0.493405 0.125153 C\n0.129854 0.381565 0.690072 C\n0.870146 0.618435 0.309928 C\n0.342029 0.993405 0.125153 C\n0.867485 0.503267 0.360426 S\n0.132515 0.003267 0.139574 S\n0.367485 0.996733 0.639574 S\n0.132515 0.496733 0.639574 S\n0.117523 0.354769 0.461410 S\n0.367485 0.503267 0.139574 S\n0.382477 0.854769 0.461410 S\n0.117523 0.145231 0.961410 S\n0.382477 0.645231 0.961410 S\n0.632515 0.496733 0.860426 S\n0.617523 0.354769 0.038590 S\n0.882477 0.645231 0.538590 S\n0.867485 0.996733 0.860426 S\n0.632515 0.003267 0.360426 S\n0.617523 0.145231 0.538590 S\n0.882477 0.854769 0.038590 S\n0.288009 0.085503 0.427064 Cl\n0.288009 0.414497 0.927064 Cl\n0.211991 0.585503 0.427064 Cl\n0.211991 0.914497 0.927064 Cl\n0.788009 0.414497 0.572936 Cl\n0.711991 0.914497 0.572936 Cl\n0.788009 0.085503 0.072936 Cl\n0.711991 0.585503 0.072936 Cl\n",
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],
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"density": 1.5146018120257718,
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"volume_molar": 7.118942409540344,
"formula_full": "H96 Ru4 C32 S16 Cl8",
"formula_reduced": "H24RuC8(S2Cl)2",
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"updated_at": "2021-11-28T01:36:08.107000Z",
"spacegroup": 61
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{
"id": "mp-1222807",
"created_at": "2022-09-04T14:43:01.737474Z",
"structure_string": "La1 Ge2 Ru1 Rh1\n1.0\n-2.139670 2.139670 5.201535\n2.139670 -2.139670 5.201535\n2.139670 2.139670 -5.201535\nLa Ge Ru Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.630783 0.630783 0.000000 Ge\n0.369217 0.369217 0.000000 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Rh\n",
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},
{
"id": "mp-1112591",
"created_at": "2022-09-04T14:48:27.846589Z",
"structure_string": "Cs2 Sc1 Cu1 F6\n1.0\n0.000000 4.433695 4.433695\n4.433695 0.000000 4.433695\n4.433695 4.433695 0.000000\nCs Sc Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.768044 0.231956 0.231956 F\n0.231956 0.231956 0.768044 F\n0.231956 0.768044 0.768044 F\n0.231956 0.768044 0.231956 F\n0.768044 0.231956 0.768044 F\n0.768044 0.768044 0.231956 F\n",
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{
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"structure_string": "Zr8 N8 O4\n1.0\n5.529361 0.000000 0.000000\n2.731980 4.861368 0.000000\n2.686171 1.463523 9.865191\nZr N O\n8 8 4\ndirect\n0.692199 0.688110 0.962031 Zr\n0.830429 0.816593 0.537788 Zr\n0.412007 0.442246 0.712785 Zr\n0.920843 0.952772 0.212721 Zr\n0.086987 0.066255 0.787944 Zr\n0.565603 0.579693 0.286918 Zr\n0.200910 0.168623 0.463673 Zr\n0.319653 0.309085 0.037486 Zr\n0.084051 0.675339 0.873559 N\n0.417759 0.828803 0.621589 N\n0.383869 0.074157 0.874503 N\n0.112043 0.424652 0.628101 N\n0.169850 0.867332 0.376780 N\n0.620947 0.919671 0.124944 N\n0.577490 0.173199 0.369861 N\n0.921225 0.326697 0.121380 N\n0.679522 0.373169 0.875935 O\n0.812459 0.129140 0.625436 O\n0.872934 0.564259 0.378816 O\n0.319218 0.620204 0.127750 O\n",
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{
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"structure_string": "Tb1 Tl1\n1.0\n3.816278 0.000000 0.000000\n0.000000 3.816278 0.000000\n0.000000 0.000000 3.816278\nTb Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tl\n",
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{
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"structure_string": "Sc4 Cu4 Si4\n1.0\n3.975532 0.000000 0.000000\n0.000000 6.557102 0.000000\n0.000000 0.000000 7.237398\nSc Cu Si\n4 4 4\ndirect\n0.750000 0.990762 0.194680 Sc\n0.250000 0.509238 0.694680 Sc\n0.750000 0.490762 0.305320 Sc\n0.250000 0.009238 0.805320 Sc\n0.250000 0.657408 0.066331 Cu\n0.250000 0.157408 0.433669 Cu\n0.750000 0.842592 0.566331 Cu\n0.750000 0.342592 0.933669 Cu\n0.250000 0.271304 0.109216 Si\n0.250000 0.771304 0.390784 Si\n0.750000 0.728696 0.890784 Si\n0.750000 0.228696 0.609216 Si\n",
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"formula_full": "Sc4 Cu4 Si4",
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{
"id": "mp-571259",
"created_at": "2022-09-04T14:43:57.974624Z",
"structure_string": "Tl8 Zn4 N48\n1.0\n6.667313 0.000000 0.000000\n0.000000 7.139044 0.000000\n0.000000 0.000000 20.883561\nTl Zn N\n8 4 48\ndirect\n0.315268 0.855512 0.490372 Tl\n0.295485 0.626028 0.302529 Tl\n0.684732 0.855512 0.990372 Tl\n0.704515 0.126028 0.697471 Tl\n0.684732 0.355512 0.509628 Tl\n0.295485 0.126028 0.197471 Tl\n0.704515 0.626028 0.802529 Tl\n0.315268 0.355512 0.009628 Tl\n0.066182 0.604162 0.633175 Zn\n0.066182 0.104162 0.866825 Zn\n0.933818 0.604162 0.133175 Zn\n0.933818 0.104162 0.366825 Zn\n0.061128 0.704740 0.050619 N\n0.516611 0.595847 0.633818 N\n0.938872 0.204740 0.949381 N\n0.061128 0.204740 0.449381 N\n0.332462 0.558739 0.159869 N\n0.039489 0.772567 0.710382 N\n0.832288 0.724041 0.387297 N\n0.516611 0.095847 0.866182 N\n0.483389 0.595847 0.133818 N\n0.699569 0.121999 0.101106 N\n0.720623 0.467096 0.943934 N\n0.633677 0.131534 0.395087 N\n0.170712 0.838575 0.053802 N\n0.804450 0.335277 0.269163 N\n0.195550 0.835277 0.730837 N\n0.657459 0.397562 0.248100 N\n0.938872 0.704740 0.550619 N\n0.633677 0.631534 0.104913 N\n0.720623 0.967096 0.556066 N\n0.167712 0.224041 0.612703 N\n0.366323 0.631534 0.604913 N\n0.972082 0.824520 0.375117 N\n0.366323 0.131534 0.895087 N\n0.195550 0.335277 0.769163 N\n0.279377 0.467096 0.443934 N\n0.167712 0.724041 0.887297 N\n0.039489 0.272567 0.789618 N\n0.027918 0.824520 0.875117 N\n0.342541 0.397562 0.748100 N\n0.027918 0.324520 0.624883 N\n0.342541 0.897562 0.751900 N\n0.667538 0.058739 0.840131 N\n0.483389 0.095847 0.366182 N\n0.300431 0.621999 0.898894 N\n0.657459 0.897562 0.251900 N\n0.170712 0.338575 0.446198 N\n0.279377 0.967096 0.056066 N\n0.699569 0.621999 0.398894 N\n0.804450 0.835277 0.230837 N\n0.960511 0.272567 0.289618 N\n0.332462 0.058739 0.340131 N\n0.829288 0.338575 0.946198 N\n0.829288 0.838575 0.553802 N\n0.972082 0.324520 0.124883 N\n0.832288 0.224041 0.112703 N\n0.667538 0.558739 0.659869 N\n0.960511 0.772567 0.210382 N\n0.300431 0.121999 0.601106 N\n",
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{
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