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{
"id": "mp-1198917",
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"structure_string": "Zr12 Mn12 Ge24\n1.0\n8.138502 0.000000 0.000000\n0.000000 9.334069 0.000000\n0.000000 0.000000 10.202303\nZr Mn Ge\n12 12 24\ndirect\n0.746155 0.828291 0.047003 Zr\n0.746155 0.171709 0.952997 Zr\n0.253845 0.671709 0.547003 Zr\n0.253845 0.328291 0.452997 Zr\n0.253845 0.171709 0.952997 Zr\n0.253845 0.828291 0.047003 Zr\n0.746155 0.328291 0.452997 Zr\n0.746155 0.671709 0.547003 Zr\n0.500000 0.835524 0.320824 Zr\n0.500000 0.164476 0.679176 Zr\n0.500000 0.664476 0.820824 Zr\n0.500000 0.335524 0.179176 Zr\n0.750415 0.587829 0.247714 Mn\n0.750415 0.412171 0.752286 Mn\n0.249585 0.912171 0.747714 Mn\n0.249585 0.087829 0.252286 Mn\n0.249585 0.412171 0.752286 Mn\n0.249585 0.587829 0.247714 Mn\n0.750415 0.087829 0.252286 Mn\n0.750415 0.912171 0.747714 Mn\n0.745950 0.000000 0.500000 Mn\n0.254050 0.500000 0.000000 Mn\n0.254050 0.000000 0.500000 Mn\n0.745950 0.500000 0.000000 Mn\n0.842706 0.838374 0.318204 Ge\n0.842706 0.161626 0.681796 Ge\n0.157294 0.661626 0.818204 Ge\n0.157294 0.338374 0.181796 Ge\n0.157294 0.161626 0.681796 Ge\n0.157294 0.838374 0.318204 Ge\n0.842706 0.338374 0.181796 Ge\n0.842706 0.661626 0.818204 Ge\n0.500000 0.541551 0.379375 Ge\n0.500000 0.458449 0.620625 Ge\n0.500000 0.958449 0.879375 Ge\n0.500000 0.041551 0.120625 Ge\n0.000000 0.551483 0.380407 Ge\n0.000000 0.448517 0.619593 Ge\n0.000000 0.948517 0.880407 Ge\n0.000000 0.051483 0.119593 Ge\n0.500000 0.630030 0.102870 Ge\n0.500000 0.369970 0.897130 Ge\n0.500000 0.869970 0.602870 Ge\n0.500000 0.130030 0.397130 Ge\n0.000000 0.623836 0.099064 Ge\n0.000000 0.376164 0.900936 Ge\n0.000000 0.876164 0.599064 Ge\n0.000000 0.123836 0.400936 Ge\n",
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{
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"structure_string": "Zr12 Ir4\n1.0\n-5.414172 5.414172 2.863838\n5.414172 -5.414172 2.863838\n5.414172 5.414172 -2.863838\nZr Ir\n12 4\ndirect\n0.546289 0.958261 0.000000 Zr\n0.453711 0.453711 0.411972 Zr\n0.041739 0.041739 0.588028 Zr\n0.958261 0.546289 0.000000 Zr\n0.500000 0.854264 0.354264 Zr\n0.854264 0.500000 0.354264 Zr\n0.145736 0.500000 0.645736 Zr\n0.500000 0.145736 0.645736 Zr\n0.166970 0.358334 0.000000 Zr\n0.833030 0.833030 0.191364 Zr\n0.641666 0.641666 0.808636 Zr\n0.358334 0.166970 0.000000 Zr\n0.000000 0.707916 0.707916 Ir\n0.707916 0.000000 0.707916 Ir\n0.292084 0.000000 0.292084 Ir\n0.000000 0.292084 0.292084 Ir\n",
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"density": 9.215502251206859,
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"formula_full": "Zr12 Ir4",
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{
"id": "mp-1215774",
"created_at": "2022-09-04T14:44:49.751480Z",
"structure_string": "Zr12 Ge4 As20\n1.0\n3.710874 0.000000 0.000000\n0.000000 6.806458 0.000000\n0.000000 0.004203 27.628343\nZr Ge As\n12 4 20\ndirect\n0.500000 0.728340 0.719560 Zr\n0.500000 0.726532 0.386591 Zr\n0.500000 0.726915 0.053320 Zr\n0.500000 0.228146 0.780654 Zr\n0.500000 0.228930 0.446207 Zr\n0.500000 0.228612 0.113254 Zr\n0.000000 0.271536 0.945619 Zr\n0.000000 0.270929 0.611026 Zr\n0.000000 0.271555 0.278842 Zr\n0.000000 0.771127 0.888453 Zr\n0.000000 0.771149 0.555332 Zr\n0.000000 0.771592 0.221541 Zr\n0.500000 0.627644 0.818469 Ge\n0.500000 0.626008 0.485234 Ge\n0.500000 0.626120 0.151849 Ge\n0.500000 0.127541 0.681426 Ge\n0.500000 0.583387 0.950930 As\n0.500000 0.583401 0.617486 As\n0.500000 0.583524 0.283969 As\n0.500000 0.083003 0.883002 As\n0.500000 0.083503 0.549047 As\n0.500000 0.083338 0.216210 As\n0.000000 0.404533 0.715533 As\n0.000000 0.413995 0.382668 As\n0.000000 0.414048 0.049531 As\n0.000000 0.905373 0.784453 As\n0.000000 0.906355 0.451294 As\n0.000000 0.906901 0.117836 As\n0.500000 0.122681 0.347632 As\n0.500000 0.122435 0.014353 As\n0.000000 0.386395 0.847168 As\n0.000000 0.385061 0.513271 As\n0.000000 0.385695 0.180292 As\n0.000000 0.879047 0.985766 As\n0.000000 0.885673 0.653092 As\n0.000000 0.878975 0.319092 As\n",
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"formula_full": "Zr12 Ge4 As20",
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},
{
"id": "mp-1207495",
"created_at": "2022-09-04T14:47:03.218330Z",
"structure_string": "Zr12 Ge2 I28\n1.0\n7.341029 -8.144437 0.000000\n7.341029 8.144437 0.000000\n0.000000 0.000000 13.257058\nZr Ge I\n12 2 28\ndirect\n0.953225 0.181996 0.116386 Zr\n0.046775 0.818004 0.883614 Zr\n0.546775 0.318004 0.616386 Zr\n0.681996 0.453225 0.383614 Zr\n0.453225 0.681996 0.383614 Zr\n0.318004 0.546775 0.616386 Zr\n0.818004 0.046775 0.883614 Zr\n0.181996 0.953225 0.116386 Zr\n0.354808 0.354808 0.393811 Zr\n0.645192 0.645192 0.606189 Zr\n0.145192 0.145192 0.893811 Zr\n0.854808 0.854808 0.106189 Zr\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.283617 0.535824 0.251991 I\n0.716383 0.464176 0.748009 I\n0.216383 0.964176 0.751991 I\n0.035824 0.783617 0.248009 I\n0.783617 0.035824 0.248009 I\n0.964176 0.216383 0.751991 I\n0.464176 0.716383 0.748009 I\n0.535824 0.283617 0.251991 I\n0.116675 0.365529 0.009300 I\n0.883325 0.634471 0.990700 I\n0.383325 0.134471 0.509300 I\n0.865529 0.616675 0.490700 I\n0.616675 0.865529 0.490700 I\n0.134471 0.383325 0.509300 I\n0.634471 0.883325 0.990700 I\n0.365529 0.116675 0.009300 I\n0.901929 0.401929 0.250000 I\n0.098071 0.598071 0.750000 I\n0.598071 0.098071 0.750000 I\n0.401929 0.901929 0.250000 I\n0.748734 0.251266 0.000000 I\n0.251266 0.748734 0.000000 I\n0.751266 0.248734 0.500000 I\n0.248734 0.751266 0.500000 I\n0.152918 0.152918 0.265410 I\n0.847082 0.847082 0.734590 I\n0.347082 0.347082 0.765410 I\n0.652918 0.652918 0.234590 I\n",
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},
{
"id": "mp-31084",
"created_at": "2022-09-04T14:42:05.813642Z",
"structure_string": "Zr12 Ge24 Rh12\n1.0\n8.089070 0.000000 0.000000\n0.000000 9.416769 0.000000\n0.000000 0.000000 10.585483\nZr Ge Rh\n12 24 12\ndirect\n0.758576 0.328523 0.048437 Zr\n0.758576 0.828523 0.451563 Zr\n0.758576 0.671477 0.951563 Zr\n0.000000 0.665593 0.679113 Zr\n0.241424 0.828523 0.451563 Zr\n0.241424 0.328523 0.048437 Zr\n0.000000 0.165593 0.820887 Zr\n0.241424 0.671477 0.951563 Zr\n0.241424 0.171477 0.548437 Zr\n0.758576 0.171477 0.548437 Zr\n0.000000 0.834407 0.179113 Zr\n0.000000 0.334407 0.320887 Zr\n0.348185 0.656905 0.682628 Ge\n0.500000 0.947669 0.609564 Ge\n0.000000 0.038144 0.384474 Ge\n0.348185 0.343095 0.317372 Ge\n0.000000 0.538144 0.115526 Ge\n0.000000 0.461856 0.884474 Ge\n0.500000 0.861015 0.900931 Ge\n0.651815 0.343095 0.317372 Ge\n0.651815 0.843095 0.182628 Ge\n0.000000 0.961856 0.615526 Ge\n0.000000 0.628571 0.397147 Ge\n0.500000 0.052331 0.390436 Ge\n0.500000 0.361015 0.599069 Ge\n0.500000 0.138985 0.099069 Ge\n0.500000 0.552331 0.109564 Ge\n0.651815 0.656905 0.682628 Ge\n0.651815 0.156905 0.817372 Ge\n0.348185 0.156905 0.817372 Ge\n0.000000 0.128571 0.102853 Ge\n0.000000 0.871429 0.897147 Ge\n0.500000 0.447669 0.890436 Ge\n0.348185 0.843095 0.182628 Ge\n0.500000 0.638985 0.400931 Ge\n0.000000 0.371429 0.602853 Ge\n0.748414 0.405056 0.755838 Rh\n0.252751 0.000000 0.000000 Rh\n0.748414 0.594944 0.244162 Rh\n0.747249 0.000000 0.000000 Rh\n0.748414 0.905056 0.744162 Rh\n0.748414 0.094944 0.255838 Rh\n0.251586 0.405056 0.755838 Rh\n0.251586 0.594944 0.244162 Rh\n0.252751 0.500000 0.500000 Rh\n0.747249 0.500000 0.500000 Rh\n0.251586 0.905056 0.744162 Rh\n0.251586 0.094944 0.255838 Rh\n",
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},
{
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"structure_string": "Zr12 Ga4 Ni2 H20\n1.0\n4.015643 -6.955298 0.000000\n4.015643 6.955298 0.000000\n0.000000 0.000000 7.227288\nZr Ga Ni H\n12 4 2 20\ndirect\n0.735811 0.000000 0.000000 Zr\n0.000000 0.735811 0.000000 Zr\n0.735811 0.000000 0.500000 Zr\n0.264189 0.264189 0.000000 Zr\n0.000000 0.735811 0.500000 Zr\n0.264189 0.264189 0.500000 Zr\n0.419557 0.045588 0.250000 Zr\n0.954412 0.373970 0.250000 Zr\n0.045588 0.419557 0.750000 Zr\n0.626030 0.580443 0.250000 Zr\n0.373970 0.954412 0.750000 Zr\n0.580443 0.626030 0.750000 Zr\n0.333333 0.666667 0.047323 Ga\n0.333333 0.666667 0.452677 Ga\n0.666667 0.333333 0.952677 Ga\n0.666667 0.333333 0.547323 Ga\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.277537 0.000000 0.000000 H\n0.000000 0.277537 0.000000 H\n0.277537 0.000000 0.500000 H\n0.722463 0.722463 0.000000 H\n0.000000 0.277537 0.500000 H\n0.722463 0.722463 0.500000 H\n0.405631 0.294293 0.250000 H\n0.705707 0.111339 0.250000 H\n0.294293 0.405631 0.750000 H\n0.888661 0.594369 0.250000 H\n0.111339 0.705707 0.750000 H\n0.594369 0.888661 0.750000 H\n0.122349 0.242890 0.250000 H\n0.757110 0.879459 0.250000 H\n0.242890 0.122349 0.750000 H\n0.120541 0.877651 0.250000 H\n0.879459 0.757110 0.750000 H\n0.877651 0.120541 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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},
{
"id": "mp-1207506",
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"structure_string": "Zr12 Ga4 Fe2 H20\n1.0\n4.032162 -6.983910 0.000000\n4.032162 6.983910 0.000000\n0.000000 0.000000 7.165610\nZr Ga Fe H\n12 4 2 20\ndirect\n0.740413 0.000000 0.000000 Zr\n0.000000 0.740413 0.000000 Zr\n0.740413 0.000000 0.500000 Zr\n0.259587 0.259587 0.000000 Zr\n0.000000 0.740413 0.500000 Zr\n0.259587 0.259587 0.500000 Zr\n0.425864 0.047272 0.250000 Zr\n0.952728 0.378592 0.250000 Zr\n0.047272 0.425864 0.750000 Zr\n0.621408 0.574136 0.250000 Zr\n0.378592 0.952728 0.750000 Zr\n0.574136 0.621408 0.750000 Zr\n0.333333 0.666667 0.050489 Ga\n0.333333 0.666667 0.449511 Ga\n0.666667 0.333333 0.949511 Ga\n0.666667 0.333333 0.550489 Ga\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.281916 0.000000 0.000000 H\n0.000000 0.281916 0.000000 H\n0.281916 0.000000 0.500000 H\n0.718084 0.718084 0.000000 H\n0.000000 0.281916 0.500000 H\n0.718084 0.718084 0.500000 H\n0.408090 0.291092 0.250000 H\n0.708908 0.116998 0.250000 H\n0.291092 0.408090 0.750000 H\n0.883002 0.591910 0.250000 H\n0.116998 0.708908 0.750000 H\n0.591910 0.883002 0.750000 H\n0.118218 0.238738 0.250000 H\n0.761262 0.879480 0.250000 H\n0.238738 0.118218 0.750000 H\n0.120520 0.881782 0.250000 H\n0.879480 0.761262 0.750000 H\n0.881782 0.120520 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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},
{
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}