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{
"id": "mp-1208420",
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{
"id": "mp-1388089",
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"structure_string": "Mg2 Sn2 F10\n1.0\n3.287266 4.544963 0.000000\n-3.287266 4.544963 0.000000\n0.000000 3.702012 7.258232\nMg Sn F\n2 2 10\ndirect\n0.512323 0.487677 0.750000 Mg\n0.487677 0.512323 0.250000 Mg\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.141908 0.858092 0.250000 F\n0.858092 0.141908 0.750000 F\n0.703309 0.775657 0.140044 F\n0.224343 0.296691 0.359956 F\n0.674173 0.293474 0.439986 F\n0.706526 0.325827 0.060014 F\n0.325827 0.706526 0.560014 F\n0.293474 0.674173 0.939986 F\n0.775657 0.703309 0.640044 F\n0.296691 0.224343 0.859956 F\n",
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},
{
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"structure_string": "Mg6 Si8\n1.0\n7.193743 0.221927 -6.360359\n2.477188 6.626099 -5.690230\n0.339029 -0.604603 5.712904\nMg Si\n6 8\ndirect\n0.378954 0.968925 0.926648 Mg\n0.617408 0.503060 0.367197 Mg\n0.732738 0.142875 0.718885 Mg\n0.968656 0.073767 0.407986 Mg\n0.062666 0.345287 0.430143 Mg\n0.130314 0.765037 0.741480 Mg\n0.097932 0.378993 0.016143 Si\n0.598622 0.095551 0.958185 Si\n0.838334 0.733851 0.881703 Si\n0.192447 0.640747 0.140193 Si\n0.423718 0.370945 0.344484 Si\n0.531809 0.605087 0.955198 Si\n0.812846 0.684469 0.217094 Si\n0.367324 0.945018 0.401881 Si\n",
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{
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"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
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},
{
"id": "mp-35906",
"created_at": "2022-09-04T14:39:09.712042Z",
"structure_string": "Y1 Ag3 Cl6\n1.0\n6.501938 -3.498293 0.000000\n6.501938 3.498293 0.000000\n4.619722 0.000000 5.759463\nY Ag Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.207496 0.207496 0.207496 Ag\n0.500000 0.500000 0.500000 Ag\n0.792504 0.792504 0.792504 Ag\n0.770161 0.382660 0.103011 Cl\n0.103011 0.770161 0.382660 Cl\n0.382660 0.103011 0.770161 Cl\n0.617340 0.896989 0.229839 Cl\n0.896989 0.229839 0.617340 Cl\n0.229839 0.617340 0.896989 Cl\n",
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{
"id": "mp-758176",
"created_at": "2022-09-04T14:39:08.930056Z",
"structure_string": "Li6 Cu6 P6 O24\n1.0\n6.373588 3.829812 0.000000\n-6.373588 3.829812 0.000000\n0.000000 0.489479 9.460306\nLi Cu P O\n6 6 6 24\ndirect\n0.250653 0.048777 0.250793 Li\n0.794162 0.742147 0.258303 Li\n0.218331 0.958602 0.749153 Li\n0.958602 0.218331 0.249153 Li\n0.048777 0.250653 0.750793 Li\n0.742147 0.794162 0.758303 Li\n0.449452 0.399056 0.465937 Cu\n0.592027 0.020579 0.458211 Cu\n0.943870 0.524826 0.480914 Cu\n0.020579 0.592027 0.958211 Cu\n0.524826 0.943870 0.980914 Cu\n0.399056 0.449452 0.965937 Cu\n0.658056 0.332690 0.172844 P\n0.998643 0.000153 0.003507 P\n0.000153 0.998643 0.503507 P\n0.678244 0.337310 0.772983 P\n0.332690 0.658056 0.672844 P\n0.337310 0.678244 0.272983 P\n0.221827 0.123655 0.441085 O\n0.446502 0.292054 0.120848 O\n0.510800 0.120034 0.821310 O\n0.628635 0.504824 0.827358 O\n0.827492 0.547516 0.122930 O\n0.643850 0.324940 0.341780 O\n0.995708 0.997464 0.165633 O\n0.997464 0.995708 0.665633 O\n0.694337 0.354588 0.607546 O\n0.905187 0.782059 0.445086 O\n0.712370 0.166197 0.128132 O\n0.111597 0.880570 0.947857 O\n0.886778 0.373438 0.827681 O\n0.880570 0.111597 0.447857 O\n0.166197 0.712370 0.628132 O\n0.373438 0.886778 0.327681 O\n0.120034 0.510800 0.321310 O\n0.292054 0.446502 0.620848 O\n0.324940 0.643850 0.841780 O\n0.354588 0.694337 0.107546 O\n0.123655 0.221827 0.941085 O\n0.547516 0.827492 0.622930 O\n0.504824 0.628635 0.327358 O\n0.782059 0.905187 0.945086 O\n",
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"formula_full": "Li6 Cu6 P6 O24",
"formula_reduced": "LiCuPO4",
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{
"id": "mp-1041374",
"created_at": "2022-09-04T14:39:08.933389Z",
"structure_string": "Mg2 Cr8 O18\n1.0\n4.890262 0.000000 0.000000\n0.000000 8.327402 0.000000\n0.000000 0.000000 8.327402\nMg Cr O\n2 8 18\ndirect\n0.120149 0.250000 0.250000 Mg\n0.879852 0.750000 0.749999 Mg\n0.615839 0.534591 0.340913 Cr\n0.384161 0.840912 0.465410 Cr\n0.615839 0.340912 0.965410 Cr\n0.384161 0.034590 0.840912 Cr\n0.615839 0.965410 0.159087 Cr\n0.615839 0.159088 0.534591 Cr\n0.384161 0.465410 0.659087 Cr\n0.384161 0.659087 0.034590 Cr\n0.499999 0.750000 0.250000 O\n0.499999 0.250001 0.750000 O\n0.058586 0.684678 0.971220 O\n0.058586 0.528781 0.684677 O\n0.058586 0.971220 0.815323 O\n0.058586 0.815323 0.528780 O\n0.941415 0.315323 0.028780 O\n0.941415 0.471219 0.315323 O\n0.941415 0.028780 0.184677 O\n0.941415 0.184677 0.471219 O\n0.452490 0.042937 0.354841 O\n0.452490 0.145158 0.042938 O\n0.452490 0.354841 0.457063 O\n0.452490 0.457063 0.145159 O\n0.547509 0.542937 0.854841 O\n0.547509 0.854841 0.957063 O\n0.547509 0.645159 0.542937 O\n0.547509 0.957062 0.645159 O\n",
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{
"id": "mp-1097478",
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"structure_string": "Ba2 Cd1 Hg1\n1.0\n-6.908156 7.372628 9.830375\n6.908156 -7.372628 9.830375\n6.908156 7.372628 -9.830375\nBa Cd Hg\n2 1 1\ndirect\n0.748705 0.000000 0.748705 Ba\n0.251295 0.000000 0.251295 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
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{
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"structure_string": "Yb16 Sb8 S45\n1.0\n12.377764 5.609533 0.000000\n-12.377764 5.609533 0.000000\n0.000000 5.501718 13.099478\nYb Sb S\n16 8 45\ndirect\n0.503337 0.659308 0.839557 Yb\n0.005506 0.164114 0.830694 Yb\n0.835886 0.994494 0.169306 Yb\n0.340692 0.496663 0.160443 Yb\n0.908552 0.252404 0.339291 Yb\n0.407211 0.751323 0.339357 Yb\n0.248677 0.592789 0.660643 Yb\n0.747596 0.091448 0.660709 Yb\n0.994494 0.835886 0.169306 Yb\n0.496663 0.340692 0.160443 Yb\n0.659308 0.503337 0.839557 Yb\n0.164114 0.005506 0.830694 Yb\n0.592789 0.248677 0.660643 Yb\n0.091448 0.747596 0.660709 Yb\n0.252404 0.908552 0.339291 Yb\n0.751323 0.407211 0.339357 Yb\n0.811994 0.312160 0.814735 Sb\n0.312160 0.811994 0.814735 Sb\n0.188006 0.687840 0.185265 Sb\n0.687840 0.188006 0.185265 Sb\n0.125685 0.125685 0.315612 Sb\n0.623670 0.623670 0.315890 Sb\n0.376330 0.376330 0.684110 Sb\n0.874315 0.874315 0.684388 Sb\n0.951845 0.225096 0.001221 S\n0.440012 0.734243 0.003083 S\n0.265757 0.559988 0.996917 S\n0.774904 0.048155 0.998779 S\n0.807529 0.013065 0.502237 S\n0.307581 0.512759 0.502449 S\n0.487241 0.692419 0.497551 S\n0.986935 0.192471 0.497763 S\n0.559988 0.265757 0.996917 S\n0.048155 0.774904 0.998779 S\n0.225096 0.951845 0.001221 S\n0.734243 0.440012 0.003083 S\n0.692419 0.487241 0.497551 S\n0.192471 0.986935 0.497763 S\n0.013065 0.807529 0.502237 S\n0.512759 0.307581 0.502449 S\n0.818476 0.475479 0.704450 S\n0.320296 0.976080 0.702246 S\n0.023920 0.679704 0.297754 S\n0.524521 0.181524 0.295550 S\n0.226630 0.069926 0.205323 S\n0.725731 0.569254 0.205569 S\n0.430746 0.274269 0.794431 S\n0.930074 0.773370 0.794677 S\n0.679704 0.023920 0.297754 S\n0.181524 0.524521 0.295550 S\n0.475479 0.818476 0.704450 S\n0.976080 0.320296 0.702246 S\n0.274269 0.430746 0.794431 S\n0.773370 0.930074 0.794677 S\n0.069926 0.226630 0.205323 S\n0.569254 0.725731 0.205569 S\n0.594563 0.094177 0.815106 S\n0.094177 0.594563 0.815106 S\n0.405437 0.905823 0.184894 S\n0.905823 0.405437 0.184894 S\n0.841911 0.841911 0.316751 S\n0.343337 0.343337 0.314803 S\n0.656663 0.656663 0.685197 S\n0.158089 0.158089 0.683249 S\n0.909270 0.909270 0.002474 S\n0.090730 0.090730 0.997526 S\n0.500000 0.500000 0.000000 S\n0.749995 0.250005 0.500000 S\n0.250005 0.749995 0.500000 S\n",
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{
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"structure_string": "Tm1 Cd1 Au2\n1.0\n0.000000 3.468020 3.468020\n3.468020 0.000000 3.468020\n3.468020 3.468020 0.000000\nTm Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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},
{
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"density": 4.349871067229659,
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"volume": 1639.964649832974,
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"formula_full": "Ba4 Sr8 I24",
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"updated_at": "2021-11-28T01:34:42.124000Z",
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}