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{
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{
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{
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"formula_full": "U2 P2 H6 C4 O20",
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{
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"created_at": "2022-09-04T14:43:56.037353Z",
"structure_string": "Nd1 Si2 Rh2\n1.0\n-2.056355 2.056355 5.095495\n2.056355 -2.056355 5.095495\n2.056355 2.056355 -5.095495\nNd Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.624418 0.624418 0.000000 Si\n0.375582 0.375582 0.000000 Si\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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{
"id": "mp-698360",
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"structure_string": "Hg4 H8 C24 N8 Cl16\n1.0\n10.978375 0.000000 0.000000\n0.000000 6.609039 0.000000\n0.000000 3.933122 20.596496\nHg H C N Cl\n4 8 24 8 16\ndirect\n0.265541 0.122882 0.168642 Hg\n0.765541 0.877118 0.331358 Hg\n0.734459 0.877118 0.831358 Hg\n0.234459 0.122882 0.668642 Hg\n0.734653 0.440599 0.949788 H\n0.234653 0.559401 0.550212 H\n0.265347 0.559401 0.050212 H\n0.765347 0.440599 0.449788 H\n0.349297 0.611442 0.665910 H\n0.849297 0.388558 0.834090 H\n0.650703 0.388558 0.334090 H\n0.150703 0.611442 0.165910 H\n0.751832 0.208252 0.042665 C\n0.251832 0.791748 0.457335 C\n0.248168 0.791748 0.957335 C\n0.748168 0.208252 0.542665 C\n0.740829 0.005812 0.050905 C\n0.240829 0.994188 0.449095 C\n0.259171 0.994188 0.949095 C\n0.759171 0.005812 0.550905 C\n0.763469 0.435342 0.056257 C\n0.263469 0.564658 0.443743 C\n0.236531 0.564658 0.943743 C\n0.736531 0.435342 0.556257 C\n0.475873 0.445453 0.767417 C\n0.975873 0.554547 0.732583 C\n0.524127 0.554547 0.232583 C\n0.024127 0.445453 0.267417 C\n0.448193 0.418733 0.827680 C\n0.948193 0.581267 0.672320 C\n0.551807 0.581267 0.172320 C\n0.051807 0.418733 0.327680 C\n0.554525 0.538794 0.653763 C\n0.054525 0.461206 0.846237 C\n0.445475 0.461206 0.346237 C\n0.945475 0.538794 0.153763 C\n0.748434 0.394382 0.999021 N\n0.248434 0.605618 0.500979 N\n0.251566 0.605618 0.000979 N\n0.751566 0.394382 0.499021 N\n0.521350 0.499806 0.709866 N\n0.021350 0.500194 0.790134 N\n0.478650 0.500194 0.290134 N\n0.978650 0.499806 0.209866 N\n0.267693 0.632988 0.158306 Cl\n0.767693 0.367012 0.341694 Cl\n0.732307 0.367012 0.841694 Cl\n0.232307 0.632988 0.658306 Cl\n0.402625 0.193200 0.079565 Cl\n0.902625 0.806800 0.420435 Cl\n0.597375 0.806800 0.920435 Cl\n0.097375 0.193200 0.579565 Cl\n0.076495 0.209274 0.088085 Cl\n0.576495 0.790726 0.411915 Cl\n0.923505 0.790726 0.911915 Cl\n0.423505 0.209274 0.588085 Cl\n0.202557 0.053009 0.278586 Cl\n0.702557 0.946991 0.221414 Cl\n0.797443 0.946991 0.721414 Cl\n0.297443 0.053009 0.778586 Cl\n",
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"spacegroup": 14
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{
"id": "mp-743953",
"created_at": "2022-09-04T14:43:40.026588Z",
"structure_string": "Ca2 La8 Ti5 Cr5 O30\n1.0\n4.798355 -0.023773 2.732778\n1.576910 4.531951 2.734278\n-0.178840 -0.117319 27.618784\nCa La Ti Cr O\n2 8 5 5 30\ndirect\n0.251889 0.253289 0.047629 Ca\n0.748111 0.746711 0.352371 Ca\n0.246949 0.245595 0.252224 La\n0.753051 0.754405 0.147776 La\n0.252072 0.250805 0.450762 La\n0.249016 0.251271 0.649969 La\n0.748592 0.750614 0.550741 La\n0.251408 0.249386 0.849259 La\n0.750984 0.748729 0.750031 La\n0.747928 0.749195 0.949238 La\n0.998057 0.997211 0.000593 Ti\n0.000000 0.000000 0.200000 Ti\n0.504559 0.500078 0.099351 Ti\n0.001943 0.002789 0.399407 Ti\n0.495441 0.499922 0.300649 Ti\n0.999613 0.000728 0.599827 Cr\n0.501788 0.501916 0.499206 Cr\n0.000387 0.999272 0.800173 Cr\n0.500000 0.500000 0.700000 Cr\n0.498212 0.498084 0.900794 Cr\n0.190280 0.749990 0.061815 O\n0.312071 0.189025 0.151408 O\n0.753498 0.307669 0.037700 O\n0.252740 0.683434 0.163082 O\n0.684463 0.817992 0.050163 O\n0.183338 0.749198 0.263281 O\n0.816662 0.250802 0.136719 O\n0.315537 0.182008 0.349837 O\n0.747260 0.316566 0.236918 O\n0.246502 0.692331 0.362300 O\n0.687929 0.810975 0.248592 O\n0.181791 0.753056 0.463177 O\n0.809720 0.250010 0.338185 O\n0.322636 0.179500 0.548840 O\n0.752291 0.316960 0.435900 O\n0.250102 0.679130 0.563779 O\n0.686347 0.817488 0.450369 O\n0.178255 0.750151 0.664042 O\n0.822933 0.251253 0.535069 O\n0.322514 0.176516 0.750645 O\n0.750386 0.321448 0.635550 O\n0.249614 0.678552 0.764450 O\n0.677486 0.823484 0.649355 O\n0.177067 0.748747 0.864931 O\n0.821745 0.249849 0.735958 O\n0.313653 0.182512 0.949631 O\n0.749898 0.320870 0.836221 O\n0.247709 0.683040 0.964100 O\n0.677364 0.820500 0.851160 O\n0.818209 0.246944 0.936823 O\n",
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{
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}