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{
"id": "mp-15779",
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{
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{
"id": "mp-1041506",
"created_at": "2022-09-04T14:48:09.991721Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n-3.183719 3.581055 4.421941\n3.183719 -3.581055 4.421941\n3.183719 3.581055 -4.421941\nZn Sn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.611206 0.861206 0.750000 Sn\n0.388794 0.138794 0.250000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.234938 0.252205 0.517267 O\n0.210081 0.265094 0.944987 O\n0.234938 0.717672 0.982733 O\n0.820107 0.265094 0.555013 O\n0.179893 0.734906 0.444987 O\n0.789919 0.734906 0.055013 O\n0.765062 0.282328 0.017267 O\n0.765062 0.747795 0.482733 O\n",
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"elements": [
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"density": 6.0411727972151965,
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"volume": 201.6594858034329,
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"formula_full": "Zn2 Sn4 O8",
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"spacegroup": 74
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{
"id": "mp-1187356",
"created_at": "2022-09-04T14:48:10.035031Z",
"structure_string": "Tb1 Nd1\n1.0\n1.817278 -3.147618 0.000000\n1.817278 3.147618 0.000000\n0.000000 0.000000 5.939403\nTb Nd\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 Nd\n",
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"volume": 67.94792189664062,
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{
"id": "mp-1191620",
"created_at": "2022-09-04T14:48:10.035529Z",
"structure_string": "Pu4 B16 Ru4\n1.0\n5.982312 0.000000 0.000000\n0.000000 11.587718 0.000000\n0.000000 0.000000 3.525947\nPu B Ru\n4 16 4\ndirect\n0.626558 0.350017 0.000000 Pu\n0.373442 0.649983 0.000000 Pu\n0.126558 0.149983 0.000000 Pu\n0.873442 0.850017 0.000000 Pu\n0.785396 0.186840 0.500000 B\n0.214604 0.813160 0.500000 B\n0.285396 0.313160 0.500000 B\n0.714604 0.686840 0.500000 B\n0.865223 0.032261 0.500000 B\n0.134777 0.967739 0.500000 B\n0.365223 0.467739 0.500000 B\n0.634777 0.532261 0.500000 B\n0.885400 0.453862 0.500000 B\n0.114600 0.546138 0.500000 B\n0.385400 0.046138 0.500000 B\n0.614600 0.953862 0.500000 B\n0.971660 0.308888 0.500000 B\n0.028340 0.691112 0.500000 B\n0.471660 0.191112 0.500000 B\n0.528340 0.808888 0.500000 B\n0.637259 0.091726 0.000000 Ru\n0.362741 0.908274 0.000000 Ru\n0.137259 0.408274 0.000000 Ru\n0.862741 0.591726 0.000000 Ru\n",
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"volume": 244.4233864783449,
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"formula_full": "Pu4 B16 Ru4",
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"updated_at": "2021-11-28T01:38:32.584000Z",
"spacegroup": 55
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{
"id": "mp-1386995",
"created_at": "2022-09-04T14:48:10.039391Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n2.944660 5.149050 0.000000\n-2.944660 5.149050 0.000000\n0.000000 3.369606 4.834137\nMg Ni O\n2 4 8\ndirect\n0.875765 0.875765 0.375123 Mg\n0.124235 0.124235 0.624877 Mg\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.712462 0.259579 0.755570 O\n0.259579 0.712462 0.755570 O\n0.254891 0.254891 0.777646 O\n0.731245 0.731245 0.785600 O\n0.745109 0.745109 0.222354 O\n0.740421 0.287538 0.244430 O\n0.268755 0.268755 0.214400 O\n0.287538 0.740421 0.244430 O\n",
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"volume": 146.592319250995,
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"formula_full": "Mg2 Ni4 O8",
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{
"id": "mp-1102065",
"created_at": "2022-09-04T14:48:10.044521Z",
"structure_string": "Ho3 Al9\n1.0\n7.282594 -3.079277 0.000000\n7.282594 3.079277 0.000000\n5.980592 0.000000 5.172102\nHo Al\n3 9\ndirect\n0.000000 0.000000 0.000000 Ho\n0.781822 0.781822 0.781822 Ho\n0.218178 0.218178 0.218178 Ho\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.703988 0.703988 0.261319 Al\n0.261319 0.703988 0.703988 Al\n0.703988 0.261319 0.703988 Al\n0.296012 0.296012 0.738681 Al\n0.738681 0.296012 0.296012 Al\n0.296012 0.738681 0.296012 Al\n",
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"density": 5.280228025274209,
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"formula_full": "Ho3 Al9",
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{
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"structure_string": "K6 Tl2 P2 C2 O14\n1.0\n7.479715 0.000000 0.000000\n0.000000 5.760421 0.000000\n0.000000 0.218530 10.167201\nK Tl P C O\n6 2 2 2 14\ndirect\n0.250000 0.761701 0.918191 K\n0.000282 0.251315 0.741812 K\n0.499718 0.251315 0.741812 K\n0.500282 0.748685 0.258188 K\n0.999718 0.748685 0.258188 K\n0.750000 0.238299 0.081809 K\n0.750000 0.768873 0.629538 Tl\n0.250000 0.231127 0.370462 Tl\n0.250000 0.705570 0.588606 P\n0.750000 0.294430 0.411394 P\n0.750000 0.738786 0.934907 C\n0.250000 0.261214 0.065093 C\n0.250000 0.272966 0.937325 O\n0.750000 0.941226 0.874229 O\n0.750000 0.547922 0.867414 O\n0.084476 0.783591 0.671254 O\n0.415524 0.783591 0.671254 O\n0.250000 0.434192 0.581280 O\n0.750000 0.190774 0.553756 O\n0.250000 0.809226 0.446244 O\n0.750000 0.565808 0.418720 O\n0.584476 0.216409 0.328746 O\n0.915524 0.216409 0.328746 O\n0.250000 0.452078 0.132586 O\n0.250000 0.058774 0.125771 O\n0.750000 0.727034 0.062675 O\n",
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{
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{
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{
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"structure_string": "K4 La2 H8 N10 O34\n1.0\n0.000000 6.235737 10.911825\n5.725155 0.000000 10.911825\n5.725155 6.235737 0.000000\nK La H N O\n4 2 8 10 34\ndirect\n0.523959 0.680613 0.439600 K\n0.439600 0.355828 0.523959 K\n0.894172 0.810400 0.569387 K\n0.569387 0.726041 0.894172 K\n0.002348 0.997652 0.002348 La\n0.252348 0.247652 0.252348 La\n0.142632 0.150502 0.776536 H\n0.776536 0.930330 0.142632 H\n0.319670 0.473464 0.099498 H\n0.099498 0.107368 0.319670 H\n0.113227 0.168993 0.964274 H\n0.964274 0.753506 0.113227 H\n0.496494 0.285726 0.081007 H\n0.081007 0.136773 0.496494 H\n0.809200 0.209090 0.312832 N\n0.312832 0.668878 0.809200 N\n0.581122 0.937168 0.040910 N\n0.040910 0.440800 0.581122 N\n0.808199 0.341024 0.773311 N\n0.773311 0.077467 0.808199 N\n0.172533 0.476689 0.908976 N\n0.908976 0.441801 0.172533 N\n0.255308 0.744692 0.255308 N\n0.505308 0.994692 0.505308 N\n0.957019 0.140152 0.229453 O\n0.229453 0.673376 0.957019 O\n0.576624 0.020547 0.109848 O\n0.109848 0.292981 0.576624 O\n0.754710 0.168063 0.272386 O\n0.272386 0.804841 0.754710 O\n0.445159 0.977614 0.081937 O\n0.081937 0.495290 0.445159 O\n0.724928 0.308510 0.425009 O\n0.425009 0.541553 0.724928 O\n0.708447 0.824991 0.941490 O\n0.941490 0.525072 0.708447 O\n0.771532 0.343668 0.934298 O\n0.934298 0.950502 0.771532 O\n0.299498 0.315702 0.906332 O\n0.906332 0.478468 0.299498 O\n0.928809 0.195040 0.709349 O\n0.709349 0.166803 0.928809 O\n0.083197 0.540651 0.054960 O\n0.054960 0.321191 0.083197 O\n0.730576 0.475139 0.681508 O\n0.681508 0.112777 0.730576 O\n0.137223 0.568492 0.774861 O\n0.774861 0.519424 0.137223 O\n0.116646 0.792747 0.287194 O\n0.287194 0.803412 0.116646 O\n0.446588 0.962806 0.457253 O\n0.457253 0.133354 0.446588 O\n0.355461 0.644539 0.355461 O\n0.605461 0.894539 0.605461 O\n0.156112 0.089983 0.889156 O\n0.889156 0.864749 0.156112 O\n0.385251 0.360844 0.160017 O\n0.160017 0.093888 0.385251 O\n",
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{
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"structure_string": "Ca4 Ti4 As4 O20\n1.0\n7.982536 0.000000 0.000000\n0.000000 5.974289 0.000000\n0.000000 0.257788 9.251182\nCa Ti As O\n4 4 4 20\ndirect\n0.059135 0.486775 0.941987 Ca\n0.409296 0.000168 0.381682 Ca\n0.559135 0.513225 0.058013 Ca\n0.909296 0.999832 0.618318 Ca\n0.009594 0.791919 0.267888 Ti\n0.502904 0.729402 0.725945 Ti\n0.509594 0.208081 0.732112 Ti\n0.002904 0.270598 0.274055 Ti\n0.320925 0.959760 0.018759 As\n0.149764 0.522356 0.571566 As\n0.820925 0.040240 0.981241 As\n0.649764 0.477644 0.428434 As\n0.158016 0.040365 0.241684 O\n0.348352 0.475967 0.645043 O\n0.658016 0.959635 0.758316 O\n0.848352 0.524033 0.354957 O\n0.473520 0.873225 0.147725 O\n0.016758 0.614608 0.700985 O\n0.973520 0.126775 0.852275 O\n0.516758 0.385392 0.299015 O\n0.431632 0.205302 0.929631 O\n0.090641 0.274512 0.494098 O\n0.931632 0.794698 0.070369 O\n0.590641 0.725488 0.505902 O\n0.363642 0.718882 0.898057 O\n0.166252 0.739646 0.446614 O\n0.863642 0.281118 0.101943 O\n0.666252 0.260354 0.553386 O\n0.128391 0.502096 0.200592 O\n0.370333 0.009106 0.648865 O\n0.628391 0.497904 0.799408 O\n0.870333 0.990894 0.351135 O\n",
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"formula_full": "Ca4 Ti4 As4 O20",
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}
]
}