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{
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{
"id": "mp-774941",
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"structure_string": "Li8 Ni16 O32\n1.0\n8.112747 0.000000 0.000000\n0.000000 8.112747 0.000000\n0.000000 0.000000 8.112747\nLi Ni O\n8 16 32\ndirect\n0.006301 0.006301 0.006301 Li\n0.243699 0.243699 0.243699 Li\n0.256301 0.756301 0.743699 Li\n0.493699 0.993699 0.506301 Li\n0.506301 0.493699 0.993699 Li\n0.743699 0.256301 0.756301 Li\n0.756301 0.743699 0.256301 Li\n0.993699 0.506301 0.493699 Li\n0.115596 0.134404 0.625000 Ni\n0.125000 0.384404 0.865596 Ni\n0.125000 0.875000 0.375000 Ni\n0.134404 0.625000 0.115596 Ni\n0.365596 0.375000 0.615596 Ni\n0.375000 0.125000 0.875000 Ni\n0.375000 0.615596 0.365596 Ni\n0.384404 0.865596 0.125000 Ni\n0.615596 0.365596 0.375000 Ni\n0.625000 0.115596 0.134404 Ni\n0.625000 0.625000 0.625000 Ni\n0.634404 0.875000 0.884404 Ni\n0.865596 0.125000 0.384404 Ni\n0.875000 0.375000 0.125000 Ni\n0.875000 0.884404 0.634404 Ni\n0.884404 0.634404 0.875000 Ni\n0.095384 0.126957 0.394601 O\n0.105399 0.904616 0.626957 O\n0.116976 0.616976 0.883024 O\n0.123043 0.154616 0.855399 O\n0.126957 0.394601 0.095384 O\n0.133024 0.366976 0.633024 O\n0.144601 0.623043 0.345384 O\n0.154616 0.855399 0.123043 O\n0.345384 0.144601 0.623043 O\n0.355399 0.376957 0.845384 O\n0.366976 0.633024 0.133024 O\n0.373043 0.605399 0.595384 O\n0.376957 0.845384 0.355399 O\n0.383024 0.383024 0.383024 O\n0.394601 0.095384 0.126957 O\n0.404616 0.873043 0.894601 O\n0.595384 0.373043 0.605399 O\n0.605399 0.595384 0.373043 O\n0.616976 0.883024 0.116976 O\n0.623043 0.345384 0.144601 O\n0.626957 0.105399 0.904616 O\n0.633024 0.133024 0.366976 O\n0.644601 0.876957 0.654616 O\n0.654616 0.644601 0.876957 O\n0.845384 0.355399 0.376957 O\n0.855399 0.123043 0.154616 O\n0.866976 0.866976 0.866976 O\n0.873043 0.894601 0.404616 O\n0.876957 0.654616 0.644601 O\n0.883024 0.116976 0.616976 O\n0.894601 0.404616 0.873043 O\n0.904616 0.626957 0.105399 O\n",
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{
"id": "mp-1208470",
"created_at": "2022-09-04T14:47:58.604471Z",
"structure_string": "Tb10 In20 Pd10\n1.0\n-6.953937 6.953937 4.623840\n6.953937 -6.953937 4.623840\n6.953937 6.953937 -4.623840\nTb In Pd\n10 20 10\ndirect\n0.529049 0.529049 0.000000 Tb\n0.999907 0.999907 0.000000 Tb\n0.881668 0.601014 0.280655 Tb\n0.320359 0.601014 0.719345 Tb\n0.601014 0.320359 0.719345 Tb\n0.601014 0.881668 0.280655 Tb\n0.910947 0.316071 0.000000 Tb\n0.316071 0.910947 0.000000 Tb\n0.316071 0.316071 0.405124 Tb\n0.910947 0.910947 0.594876 Tb\n0.004920 0.511901 0.790612 In\n0.721289 0.214308 0.209388 In\n0.511901 0.721289 0.506981 In\n0.004920 0.214308 0.493019 In\n0.214308 0.004920 0.493019 In\n0.721289 0.511901 0.506981 In\n0.511901 0.004920 0.790612 In\n0.214308 0.721289 0.209388 In\n0.435618 0.271207 0.164411 In\n0.106795 0.271207 0.835589 In\n0.271207 0.106795 0.835589 In\n0.271207 0.435618 0.164411 In\n0.898366 0.634274 0.000000 In\n0.634274 0.898366 0.000000 In\n0.634274 0.634274 0.735908 In\n0.898366 0.898366 0.264092 In\n0.505822 0.123359 0.382463 In\n0.740896 0.123359 0.617537 In\n0.123359 0.740896 0.617537 In\n0.123359 0.505822 0.382463 In\n0.176355 0.962391 0.213965 Pd\n0.748426 0.962391 0.786035 Pd\n0.962391 0.748426 0.786035 Pd\n0.962391 0.176355 0.213965 Pd\n0.295126 0.615953 0.000000 Pd\n0.615953 0.295126 0.000000 Pd\n0.615953 0.615953 0.320827 Pd\n0.295126 0.295126 0.679173 Pd\n0.872627 0.372627 0.500000 Pd\n0.372627 0.872627 0.500000 Pd\n",
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{
"id": "mp-1217952",
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"structure_string": "Ta12 Co3 Pt3 Se32\n1.0\n1.720428 7.146668 0.000000\n-1.720428 7.146668 0.000000\n0.000000 0.466528 47.819170\nTa Co Pt Se\n12 3 3 32\ndirect\n0.414530 0.414530 0.617161 Ta\n0.916782 0.916782 0.118011 Ta\n0.083512 0.083512 0.882378 Ta\n0.583277 0.583277 0.382034 Ta\n0.539810 0.539810 0.944011 Ta\n0.040067 0.040067 0.444033 Ta\n0.960114 0.960114 0.556088 Ta\n0.460457 0.460457 0.055638 Ta\n0.445962 0.445962 0.716904 Ta\n0.946791 0.946791 0.215538 Ta\n0.055677 0.055677 0.784897 Ta\n0.553415 0.553415 0.284389 Ta\n0.389253 0.389253 0.169944 Co\n0.611271 0.611271 0.830097 Co\n0.110676 0.110676 0.329860 Co\n0.999898 0.999898 0.000037 Pt\n0.500989 0.500989 0.499608 Pt\n0.885773 0.885773 0.669100 Pt\n0.045448 0.045448 0.604059 Se\n0.546703 0.546703 0.103716 Se\n0.453179 0.453179 0.896082 Se\n0.953626 0.953626 0.396188 Se\n0.689026 0.689026 0.785662 Se\n0.186746 0.186746 0.285259 Se\n0.811110 0.811110 0.718112 Se\n0.313350 0.313350 0.214587 Se\n0.518714 0.518714 0.666499 Se\n0.008261 0.008261 0.165645 Se\n0.991724 0.991724 0.834494 Se\n0.491601 0.491601 0.334203 Se\n0.422037 0.422037 0.772641 Se\n0.920397 0.920397 0.271602 Se\n0.079868 0.079868 0.728629 Se\n0.579670 0.579670 0.228309 Se\n0.214460 0.214460 0.846248 Se\n0.714320 0.714320 0.345744 Se\n0.274553 0.274553 0.651110 Se\n0.785461 0.785461 0.154057 Se\n0.813919 0.813919 0.588949 Se\n0.315042 0.315042 0.090268 Se\n0.685773 0.685773 0.909822 Se\n0.184856 0.184856 0.409543 Se\n0.356726 0.356726 0.528759 Se\n0.855172 0.855172 0.029226 Se\n0.144422 0.144422 0.970760 Se\n0.645402 0.645402 0.470506 Se\n0.592126 0.592126 0.543266 Se\n0.093007 0.093007 0.043405 Se\n0.907439 0.907439 0.956538 Se\n0.407607 0.407607 0.456384 Se\n",
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"formula_full": "Ta12 Co3 Pt3 Se32",
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{
"id": "mp-556951",
"created_at": "2022-09-04T14:47:58.617171Z",
"structure_string": "Cu8 H24 C16 N8 O32\n1.0\n8.664121 0.000000 0.000000\n0.000000 9.670386 0.000000\n0.000000 0.000000 11.256679\nCu H C N O\n8 24 16 8 32\ndirect\n0.886798 0.760330 0.073580 Cu\n0.113202 0.739670 0.573580 Cu\n0.386798 0.739670 0.073580 Cu\n0.613202 0.760330 0.573580 Cu\n0.386798 0.239670 0.426420 Cu\n0.886798 0.260330 0.426420 Cu\n0.613202 0.260330 0.926420 Cu\n0.113202 0.239670 0.926420 Cu\n0.750896 0.109157 0.272825 H\n0.224727 0.726975 0.259857 H\n0.249104 0.890843 0.727175 H\n0.109652 0.303661 0.705699 H\n0.890348 0.196339 0.205699 H\n0.609652 0.196339 0.705699 H\n0.390348 0.803661 0.294301 H\n0.390348 0.303661 0.205699 H\n0.775273 0.273025 0.740143 H\n0.275273 0.726975 0.759857 H\n0.250896 0.390843 0.272825 H\n0.224727 0.226975 0.240143 H\n0.890348 0.696339 0.294301 H\n0.109652 0.803661 0.794301 H\n0.724727 0.773025 0.259857 H\n0.275273 0.226975 0.740143 H\n0.775273 0.773025 0.759857 H\n0.249104 0.390843 0.772825 H\n0.250896 0.890843 0.227175 H\n0.724727 0.273025 0.240143 H\n0.609652 0.696339 0.794301 H\n0.750896 0.609157 0.227175 H\n0.749104 0.109157 0.772825 H\n0.749104 0.609157 0.727175 H\n0.511832 0.477686 0.064677 C\n0.988168 0.977686 0.935323 C\n0.511832 0.977686 0.435323 C\n0.988168 0.477686 0.564677 C\n0.084881 0.513308 0.019636 C\n0.084881 0.013308 0.480364 C\n0.011832 0.022314 0.064677 C\n0.915119 0.486692 0.980364 C\n0.584881 0.986692 0.019636 C\n0.488168 0.022314 0.564677 C\n0.415119 0.013308 0.980364 C\n0.915119 0.986692 0.519636 C\n0.415119 0.513308 0.519636 C\n0.488168 0.522314 0.935323 C\n0.011832 0.522314 0.435323 C\n0.584881 0.486692 0.480364 C\n0.305149 0.797156 0.231253 N\n0.194851 0.797156 0.731253 N\n0.805149 0.702844 0.231253 N\n0.805149 0.202844 0.268747 N\n0.194851 0.297156 0.768747 N\n0.694851 0.202844 0.768747 N\n0.305149 0.297156 0.268747 N\n0.694851 0.702844 0.731253 N\n0.521802 0.935981 0.645258 O\n0.978198 0.435981 0.354742 O\n0.021802 0.564019 0.645258 O\n0.062668 0.644076 0.417082 O\n0.817750 0.584645 0.995864 O\n0.021802 0.064019 0.854742 O\n0.521802 0.435981 0.854742 O\n0.562668 0.355924 0.082918 O\n0.437332 0.644076 0.917082 O\n0.116423 0.629149 0.064005 O\n0.883577 0.370851 0.935995 O\n0.937332 0.355924 0.582918 O\n0.116423 0.129149 0.435995 O\n0.383577 0.129149 0.935995 O\n0.062668 0.144076 0.082918 O\n0.817750 0.084645 0.504136 O\n0.616423 0.870851 0.064005 O\n0.478198 0.064019 0.354742 O\n0.182250 0.415355 0.004136 O\n0.182250 0.915355 0.495864 O\n0.317750 0.415355 0.504136 O\n0.883577 0.870851 0.564005 O\n0.682250 0.084645 0.004136 O\n0.383577 0.629149 0.564005 O\n0.478198 0.564019 0.145258 O\n0.616423 0.370851 0.435995 O\n0.682250 0.584645 0.495864 O\n0.937332 0.855924 0.917082 O\n0.562668 0.855924 0.417082 O\n0.978198 0.935981 0.145258 O\n0.317750 0.915355 0.995864 O\n0.437332 0.144076 0.582918 O\n",
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{
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{
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"structure_string": "La4 Si4\n1.0\n2.284154 -6.701692 0.000000\n2.284154 6.701692 0.000000\n0.000000 0.000000 6.666998\nLa Si\n4 4\ndirect\n0.274122 0.725878 0.250000 La\n0.725878 0.274122 0.750000 La\n0.551763 0.448237 0.250000 La\n0.448237 0.551763 0.750000 La\n0.091363 0.908637 0.937025 Si\n0.908637 0.091363 0.062975 Si\n0.908637 0.091363 0.437025 Si\n0.091363 0.908637 0.562975 Si\n",
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{
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