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{
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"spacegroup": 14
},
{
"id": "mp-1032871",
"created_at": "2022-09-04T14:45:03.684100Z",
"structure_string": "Hf1 Mg6 Al1 O8\n1.0\n8.965787 0.000000 0.000000\n0.000000 4.348382 0.000000\n0.000000 0.000000 4.348382\nHf Mg Al O\n1 6 1 8\ndirect\n-0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.263017 -0.000000 0.500000 Mg\n0.736983 0.000000 0.500000 Mg\n0.263017 0.500000 0.000000 Mg\n0.736983 0.500000 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Al\n0.271073 -0.000000 0.000000 O\n0.728927 0.000000 -0.000000 O\n0.256472 0.500000 0.500000 O\n0.743528 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"formula_full": "Hf1 Mg6 Al1 O8",
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{
"id": "mp-4529",
"created_at": "2022-09-04T14:45:07.368069Z",
"structure_string": "K8 S4 O16\n1.0\n5.867597 0.000000 0.000000\n0.000000 7.596256 0.000000\n0.000000 0.000000 10.258606\nK S O\n8 4 16\ndirect\n0.750000 0.007519 0.702552 K\n0.250000 0.992481 0.297448 K\n0.750000 0.507519 0.797448 K\n0.250000 0.492481 0.202552 K\n0.250000 0.673607 0.586295 K\n0.750000 0.326393 0.413705 K\n0.250000 0.173607 0.913705 K\n0.750000 0.826393 0.086295 K\n0.250000 0.230918 0.580746 S\n0.750000 0.769082 0.419254 S\n0.250000 0.730918 0.919254 S\n0.750000 0.269082 0.080746 S\n0.541569 0.702345 0.350852 O\n0.041569 0.297655 0.649148 O\n0.958431 0.202345 0.149148 O\n0.458431 0.797655 0.850852 O\n0.458431 0.297655 0.649148 O\n0.958431 0.702345 0.350852 O\n0.041569 0.797655 0.850852 O\n0.541569 0.202345 0.149148 O\n0.250000 0.300071 0.443546 O\n0.750000 0.699929 0.556454 O\n0.250000 0.800071 0.056454 O\n0.750000 0.199929 0.943546 O\n0.750000 0.464803 0.080642 O\n0.250000 0.535197 0.919358 O\n0.750000 0.964803 0.419358 O\n0.250000 0.035197 0.580642 O\n",
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{
"id": "mp-559385",
"created_at": "2022-09-04T14:45:06.945574Z",
"structure_string": "Sr4 Ho8 O16\n1.0\n3.413781 0.000000 0.000000\n0.000000 10.115330 0.000000\n0.000000 0.000000 11.953256\nSr Ho O\n4 8 16\ndirect\n0.250000 0.247368 0.350803 Sr\n0.250000 0.747368 0.149197 Sr\n0.750000 0.252632 0.850803 Sr\n0.750000 0.752632 0.649197 Sr\n0.750000 0.923252 0.389386 Ho\n0.250000 0.576972 0.387913 Ho\n0.750000 0.923028 0.887913 Ho\n0.250000 0.576748 0.889386 Ho\n0.750000 0.423252 0.110614 Ho\n0.750000 0.423028 0.612087 Ho\n0.250000 0.076748 0.610614 Ho\n0.250000 0.076972 0.112087 Ho\n0.250000 0.073982 0.922787 O\n0.750000 0.624932 0.019520 O\n0.250000 0.985568 0.283789 O\n0.750000 0.014432 0.716211 O\n0.750000 0.514432 0.783789 O\n0.750000 0.124932 0.480480 O\n0.250000 0.788327 0.825943 O\n0.750000 0.426018 0.422787 O\n0.750000 0.711673 0.325943 O\n0.250000 0.375068 0.980480 O\n0.750000 0.211673 0.174057 O\n0.250000 0.288327 0.674057 O\n0.250000 0.485568 0.216211 O\n0.750000 0.926018 0.077213 O\n0.250000 0.573982 0.577213 O\n0.250000 0.875068 0.519520 O\n",
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{
"id": "mp-1224429",
"created_at": "2022-09-04T14:45:08.049874Z",
"structure_string": "Hg30 As16 Cl24\n1.0\n12.534538 0.000000 0.000000\n0.000000 12.533664 0.000000\n0.000000 0.034389 12.535775\nHg As Cl\n30 16 24\ndirect\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.218921 0.290214 0.026481 Hg\n0.718921 0.709786 0.473519 Hg\n0.781331 0.210172 0.526577 Hg\n0.281331 0.789828 0.973423 Hg\n0.290348 0.026754 0.218580 Hg\n0.710226 0.473850 0.719013 Hg\n0.210226 0.526150 0.780987 Hg\n0.790348 0.973246 0.281420 Hg\n0.026617 0.218933 0.290080 Hg\n0.473540 0.718643 0.710034 Hg\n0.526617 0.781067 0.209920 Hg\n0.973540 0.281357 0.789966 Hg\n0.781079 0.709786 0.973519 Hg\n0.281079 0.290214 0.526481 Hg\n0.218669 0.789828 0.473423 Hg\n0.718669 0.210172 0.026577 Hg\n0.709652 0.973246 0.781420 Hg\n0.289774 0.526150 0.280987 Hg\n0.789774 0.473850 0.219013 Hg\n0.209652 0.026754 0.718580 Hg\n0.973383 0.781067 0.709920 Hg\n0.526460 0.281357 0.289966 Hg\n0.473383 0.218933 0.790080 Hg\n0.026460 0.718643 0.210034 Hg\n0.167378 0.332557 0.832547 As\n0.667378 0.667443 0.667453 As\n0.832192 0.167838 0.332261 As\n0.332192 0.832162 0.167739 As\n0.832622 0.667443 0.167453 As\n0.332622 0.332557 0.332547 As\n0.167808 0.832162 0.667739 As\n0.667808 0.167838 0.832261 As\n0.219113 0.219219 0.219078 As\n0.719113 0.780781 0.280922 As\n0.781255 0.281374 0.718806 As\n0.281255 0.718626 0.781194 As\n0.780887 0.780781 0.780922 As\n0.280887 0.219219 0.719078 As\n0.218745 0.718626 0.281194 As\n0.718745 0.281374 0.218806 As\n0.458192 0.288288 0.034616 Cl\n0.958192 0.711712 0.465384 Cl\n0.541530 0.213658 0.534531 Cl\n0.041530 0.786342 0.965469 Cl\n0.288092 0.034767 0.458202 Cl\n0.713476 0.465613 0.958449 Cl\n0.213476 0.534387 0.541551 Cl\n0.788092 0.965233 0.041798 Cl\n0.034293 0.458320 0.286539 Cl\n0.465133 0.958309 0.711914 Cl\n0.534293 0.541680 0.213461 Cl\n0.965133 0.041691 0.788086 Cl\n0.541808 0.711712 0.965384 Cl\n0.041808 0.288288 0.534616 Cl\n0.458470 0.786342 0.465469 Cl\n0.958470 0.213658 0.034531 Cl\n0.711908 0.965233 0.541798 Cl\n0.286524 0.534387 0.041551 Cl\n0.786524 0.465613 0.458449 Cl\n0.211908 0.034767 0.958202 Cl\n0.965707 0.541680 0.713461 Cl\n0.534867 0.041691 0.288086 Cl\n0.465707 0.458320 0.786539 Cl\n0.034867 0.958309 0.211914 Cl\n",
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"formula_full": "Hg30 As16 Cl24",
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"spacegroup": 14
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{
"id": "mp-1211061",
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"structure_string": "Na8 Hf2 C16 O38\n1.0\n3.768125 -9.499910 0.000000\n3.768125 9.499910 0.000000\n0.000000 0.000000 12.262817\nNa Hf C O\n8 2 16 38\ndirect\n0.020988 0.557798 0.331851 Na\n0.979012 0.442202 0.831851 Na\n0.442202 0.979012 0.168149 Na\n0.557798 0.020988 0.668149 Na\n0.140031 0.140031 0.000000 Na\n0.859969 0.859969 0.500000 Na\n0.586476 0.413524 0.250000 Na\n0.413524 0.586476 0.750000 Na\n0.391433 0.608567 0.250000 Hf\n0.608567 0.391433 0.750000 Hf\n0.038227 0.228527 0.358630 C\n0.961773 0.771473 0.858630 C\n0.771473 0.961773 0.141370 C\n0.228527 0.038227 0.641370 C\n0.180505 0.215144 0.341155 C\n0.819495 0.784856 0.841155 C\n0.784856 0.819495 0.158845 C\n0.215144 0.180505 0.658845 C\n0.145166 0.551619 0.066937 C\n0.854834 0.448381 0.566937 C\n0.448381 0.854834 0.433063 C\n0.551619 0.145166 0.933063 C\n0.227172 0.482705 0.016879 C\n0.772828 0.517295 0.516879 C\n0.517295 0.772828 0.483121 C\n0.482705 0.227172 0.983121 C\n0.215748 0.628437 0.161858 O\n0.784252 0.371563 0.661858 O\n0.371563 0.784252 0.338142 O\n0.628437 0.215748 0.838142 O\n0.329452 0.357528 0.286346 O\n0.670548 0.642472 0.786346 O\n0.642472 0.670548 0.213654 O\n0.357528 0.329452 0.713654 O\n0.895832 0.578452 0.172843 O\n0.104168 0.421548 0.672843 O\n0.421548 0.104168 0.327157 O\n0.578452 0.895832 0.827157 O\n0.109244 0.389947 0.324011 O\n0.890756 0.610053 0.824011 O\n0.610053 0.890756 0.175989 O\n0.389947 0.109244 0.675989 O\n0.323843 0.485401 0.086786 O\n0.676157 0.514599 0.586786 O\n0.514599 0.676157 0.413214 O\n0.485401 0.323843 0.913214 O\n0.805961 0.573001 0.420905 O\n0.194039 0.426999 0.920905 O\n0.426999 0.194039 0.079095 O\n0.573001 0.805961 0.579095 O\n0.906489 0.120094 0.100873 O\n0.093511 0.879906 0.600873 O\n0.879906 0.093511 0.399127 O\n0.120094 0.906489 0.899127 O\n0.078614 0.144258 0.622388 O\n0.921386 0.855742 0.122388 O\n0.855742 0.921386 0.877612 O\n0.144258 0.078614 0.377612 O\n0.023708 0.528793 0.018000 O\n0.976292 0.471207 0.518000 O\n0.471207 0.976292 0.482000 O\n0.528793 0.023708 0.982000 O\n0.708696 0.291304 0.250000 O\n0.291304 0.708696 0.750000 O\n",
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{
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"structure_string": "Sr2 Ca10 N8\n1.0\n8.757178 0.000000 0.000000\n0.000000 7.698611 0.000000\n0.000000 0.000000 5.953905\nSr Ca N\n2 10 8\ndirect\n0.750000 0.250000 0.727550 Sr\n0.250000 0.750000 0.272450 Sr\n0.561956 0.500920 0.253427 Ca\n0.938044 0.500920 0.253427 Ca\n0.561956 0.999080 0.253427 Ca\n0.938044 0.999080 0.253427 Ca\n0.438044 0.499080 0.746573 Ca\n0.061956 0.499080 0.746573 Ca\n0.438044 0.000920 0.746573 Ca\n0.061956 0.000920 0.746573 Ca\n0.750000 0.750000 0.742420 Ca\n0.250000 0.250000 0.257580 Ca\n0.750000 0.994897 0.975034 N\n0.750000 0.505103 0.975034 N\n0.250000 0.005103 0.024966 N\n0.250000 0.494897 0.024966 N\n0.507235 0.750000 0.509322 N\n0.992765 0.750000 0.509322 N\n0.492765 0.250000 0.490678 N\n0.007235 0.250000 0.490678 N\n",
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