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{
"id": "mp-669540",
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"structure_string": "K4 Pt2 N8 Cl4 O16\n1.0\n9.761461 0.000000 0.000000\n0.000000 7.601451 0.000000\n0.000000 4.844393 8.354028\nK Pt N Cl O\n4 2 8 4 16\ndirect\n0.453251 0.674375 0.166564 K\n0.046749 0.674375 0.666564 K\n0.546749 0.325625 0.833436 K\n0.953251 0.325625 0.333436 K\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.526655 0.141194 0.246537 N\n0.696470 0.848401 0.537647 N\n0.196470 0.151599 0.962353 N\n0.803530 0.848401 0.037647 N\n0.026655 0.858806 0.253463 N\n0.473345 0.858806 0.753463 N\n0.973345 0.141194 0.746537 N\n0.303530 0.151599 0.462353 N\n0.391774 0.719916 0.503253 Cl\n0.891774 0.280084 0.996747 Cl\n0.108226 0.719916 0.003253 Cl\n0.608226 0.280084 0.496747 Cl\n0.984884 0.949241 0.321648 O\n0.580615 0.311849 0.171125 O\n0.798513 0.937132 0.549480 O\n0.515116 0.949241 0.821648 O\n0.701487 0.937132 0.049480 O\n0.295813 0.321842 0.448678 O\n0.795813 0.678158 0.051322 O\n0.298513 0.062868 0.950520 O\n0.080615 0.688151 0.328875 O\n0.201487 0.062868 0.450520 O\n0.204187 0.321842 0.948678 O\n0.919385 0.311849 0.671125 O\n0.484884 0.050759 0.178352 O\n0.015116 0.050759 0.678352 O\n0.704187 0.678158 0.551322 O\n0.419385 0.688151 0.828875 O\n",
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{
"id": "mp-738635",
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"structure_string": "Na8 Zn8 P16 H8 Cl8 O56\n1.0\n8.019800 0.000000 0.000000\n0.000000 8.019800 0.000000\n0.000000 0.000000 22.606429\nNa Zn P H Cl O\n8 8 16 8 8 56\ndirect\n0.145238 0.854762 0.750000 Na\n0.854762 0.145238 0.250000 Na\n0.354762 0.354762 0.500000 Na\n0.645238 0.645238 0.000000 Na\n0.849372 0.150628 0.750000 Na\n0.150628 0.849372 0.250000 Na\n0.650628 0.650628 0.500000 Na\n0.349372 0.349372 0.000000 Na\n0.001321 0.508697 0.629697 Zn\n0.998679 0.491303 0.129697 Zn\n0.008697 0.498679 0.379697 Zn\n0.991303 0.501321 0.879697 Zn\n0.491303 0.998679 0.870303 Zn\n0.508697 0.001321 0.370303 Zn\n0.498679 0.008697 0.620303 Zn\n0.501321 0.991303 0.120303 Zn\n0.374110 0.640193 0.642951 P\n0.625890 0.359807 0.142951 P\n0.140193 0.125890 0.392951 P\n0.859807 0.874110 0.892951 P\n0.359807 0.625890 0.857049 P\n0.640193 0.374110 0.357049 P\n0.125890 0.140193 0.607049 P\n0.874110 0.859807 0.107049 P\n0.863202 0.874492 0.608915 P\n0.136798 0.125508 0.108915 P\n0.374492 0.636798 0.358915 P\n0.625508 0.363202 0.858915 P\n0.125508 0.136798 0.891085 P\n0.874492 0.863202 0.391085 P\n0.636798 0.374492 0.641085 P\n0.363202 0.625508 0.141085 P\n0.285729 0.838502 0.469822 H\n0.714271 0.161498 0.969822 H\n0.338502 0.214271 0.219822 H\n0.661498 0.785729 0.719822 H\n0.161498 0.714271 0.030178 H\n0.838502 0.285729 0.530178 H\n0.214271 0.338502 0.780178 H\n0.785729 0.661498 0.280178 H\n0.184569 0.783078 0.510525 Cl\n0.815431 0.216922 0.010525 Cl\n0.283078 0.315431 0.260525 Cl\n0.716922 0.684569 0.760525 Cl\n0.216922 0.815431 0.989475 Cl\n0.783078 0.184569 0.489475 Cl\n0.315431 0.283078 0.739475 Cl\n0.684569 0.716922 0.239475 Cl\n0.871146 0.897557 0.675711 O\n0.128854 0.102443 0.175711 O\n0.397557 0.628854 0.425711 O\n0.602443 0.371146 0.925711 O\n0.102443 0.128854 0.824289 O\n0.897557 0.871146 0.324289 O\n0.628854 0.397557 0.574289 O\n0.371146 0.602443 0.074289 O\n0.390407 0.614741 0.574705 O\n0.609593 0.385259 0.074705 O\n0.114741 0.109593 0.324705 O\n0.885259 0.890407 0.824705 O\n0.385259 0.609593 0.925295 O\n0.614741 0.390407 0.425295 O\n0.109593 0.114741 0.675295 O\n0.890407 0.885259 0.175295 O\n0.991762 0.011930 0.579784 O\n0.008238 0.988070 0.079784 O\n0.511930 0.508238 0.329784 O\n0.488070 0.491762 0.829784 O\n0.988070 0.008238 0.920216 O\n0.011930 0.991762 0.420216 O\n0.508238 0.511930 0.670216 O\n0.491762 0.488070 0.170216 O\n0.425133 0.812744 0.666750 O\n0.574867 0.187256 0.166750 O\n0.312744 0.074867 0.416750 O\n0.687256 0.925133 0.916750 O\n0.187256 0.574867 0.833250 O\n0.812744 0.425133 0.333250 O\n0.074867 0.312744 0.583250 O\n0.925133 0.687256 0.083250 O\n0.807266 0.411807 0.669758 O\n0.192734 0.588193 0.169758 O\n0.911807 0.692734 0.419758 O\n0.088193 0.307266 0.919758 O\n0.588193 0.192734 0.830242 O\n0.411807 0.807266 0.330242 O\n0.692734 0.911807 0.580242 O\n0.307266 0.088193 0.080242 O\n0.200832 0.599824 0.668240 O\n0.799168 0.400176 0.168240 O\n0.099824 0.299168 0.418240 O\n0.900176 0.700832 0.918240 O\n0.400176 0.799168 0.831760 O\n0.599824 0.200832 0.331760 O\n0.299168 0.099824 0.581760 O\n0.700832 0.900176 0.081760 O\n0.919641 0.703343 0.585287 O\n0.080359 0.296657 0.085287 O\n0.203343 0.580359 0.335287 O\n0.796657 0.419641 0.835287 O\n0.296657 0.080359 0.914713 O\n0.703343 0.919641 0.414713 O\n0.580359 0.203343 0.664713 O\n0.419641 0.796657 0.164713 O\n",
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"formula_full": "Na8 Zn8 P16 H8 Cl8 O56",
"formula_reduced": "NaZnP2HClO7",
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"spacegroup": 92
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{
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"structure_string": "Hf1 Rh3\n1.0\n3.952285 0.000000 0.000000\n0.000000 3.952285 0.000000\n0.000000 0.000000 3.952285\nHf Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
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{
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"structure_string": "Co2 O8\n1.0\n6.476655 0.000000 0.000000\n0.000000 5.500213 0.000000\n0.000000 0.056702 5.515809\nCo O\n2 8\ndirect\n0.250000 0.675389 0.667965 Co\n0.750000 0.324611 0.332035 Co\n0.455362 0.808292 0.762065 O\n0.955362 0.191708 0.237935 O\n0.544638 0.191708 0.237935 O\n0.044638 0.808292 0.762065 O\n0.250000 0.679000 0.372104 O\n0.750000 0.321000 0.627896 O\n0.250000 0.396579 0.756478 O\n0.750000 0.603421 0.243522 O\n",
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"volume": 196.48956487420548,
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"formula_full": "Co2 O8",
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{
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"structure_string": "Nd4 B16\n1.0\n7.238417 0.000000 0.000000\n0.000000 7.238417 0.000000\n0.000000 0.000000 4.119958\nNd B\n4 16\ndirect\n0.182853 0.682853 0.000000 Nd\n0.682853 0.817147 0.000000 Nd\n0.317147 0.182853 0.000000 Nd\n0.817147 0.317147 0.000000 Nd\n0.911989 0.588011 0.500000 B\n0.588011 0.088011 0.500000 B\n0.411989 0.911989 0.500000 B\n0.088011 0.411989 0.500000 B\n0.038870 0.174220 0.500000 B\n0.174220 0.961130 0.500000 B\n0.825780 0.038870 0.500000 B\n0.961130 0.825780 0.500000 B\n0.461130 0.674220 0.500000 B\n0.538870 0.325780 0.500000 B\n0.674220 0.538870 0.500000 B\n0.325780 0.461130 0.500000 B\n0.000000 0.000000 0.204796 B\n0.500000 0.500000 0.795204 B\n0.000000 0.000000 0.795204 B\n0.500000 0.500000 0.204796 B\n",
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{
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{
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{
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"structure_string": "Cr2 P4\n1.0\n1.503802 4.090771 0.000000\n-1.503802 4.090771 0.000000\n0.000000 3.489583 6.180266\nCr P\n2 4\ndirect\n0.157253 0.157253 0.295320 Cr\n0.842747 0.842747 0.704680 Cr\n0.855625 0.855625 0.028635 P\n0.144375 0.144375 0.971365 P\n0.601434 0.601434 0.599137 P\n0.398566 0.398566 0.400863 P\n",
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{
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"structure_string": "Th4 Au2 F22\n1.0\n-5.741788 5.741788 3.185433\n5.741788 -5.741788 3.185433\n5.741788 5.741788 -3.185433\nTh Au F\n4 2 22\ndirect\n0.356524 0.143476 0.500000 Th\n0.856524 0.356524 0.213049 Th\n0.143476 0.643476 0.786951 Th\n0.643476 0.856524 0.500000 Th\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.634728 0.396027 0.030755 F\n0.365272 0.603973 0.969245 F\n0.603973 0.634728 0.238701 F\n0.396027 0.365272 0.761299 F\n0.134728 0.103973 0.238701 F\n0.896027 0.134728 0.030755 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.250000 0.559656 0.309656 F\n0.940344 0.250000 0.690344 F\n0.559656 0.250000 0.309656 F\n0.250000 0.940344 0.690344 F\n0.750000 0.440344 0.690344 F\n0.059656 0.750000 0.309656 F\n0.440344 0.750000 0.690344 F\n0.750000 0.059656 0.309656 F\n0.865272 0.896027 0.761299 F\n0.103973 0.865272 0.969245 F\n",
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