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"results": [
{
"id": "mp-849796",
"created_at": "2022-09-04T14:48:19.547980Z",
"structure_string": "Na2 Zn8 H36 S2 Cl2 O32\n1.0\n4.235618 -7.336305 0.000000\n4.235618 7.336305 0.000000\n0.000000 0.000000 13.189807\nNa Zn H S Cl O\n2 8 36 2 2 32\ndirect\n0.333333 0.666667 0.091890 Na\n0.666667 0.333333 0.908110 Na\n0.127524 0.713627 0.492586 Zn\n0.000000 0.000000 0.637539 Zn\n0.000000 0.000000 0.362461 Zn\n0.286373 0.413897 0.492586 Zn\n0.586103 0.872476 0.492586 Zn\n0.413897 0.127524 0.507414 Zn\n0.713627 0.586103 0.507414 Zn\n0.872476 0.286373 0.507414 Zn\n0.008831 0.459660 0.215896 H\n0.234025 0.909031 0.654805 H\n0.241363 0.923984 0.204778 H\n0.272511 0.951722 0.998240 H\n0.241966 0.822423 0.907535 H\n0.119388 0.478520 0.354780 H\n0.048278 0.320789 0.998240 H\n0.359132 0.880612 0.354780 H\n0.076016 0.317378 0.204778 H\n0.090969 0.324993 0.654805 H\n0.177577 0.419543 0.907535 H\n0.450828 0.991169 0.215896 H\n0.317378 0.241363 0.795222 H\n0.324993 0.234025 0.345195 H\n0.320789 0.272511 0.001760 H\n0.521480 0.640868 0.354780 H\n0.580457 0.758034 0.907535 H\n0.459660 0.450828 0.784104 H\n0.540340 0.549172 0.215896 H\n0.419543 0.241966 0.092465 H\n0.478520 0.359132 0.645220 H\n0.679211 0.727489 0.998240 H\n0.675007 0.765975 0.654805 H\n0.682622 0.758637 0.204778 H\n0.549172 0.008831 0.784104 H\n0.822423 0.580457 0.092465 H\n0.909031 0.675007 0.345195 H\n0.923984 0.682622 0.795222 H\n0.640868 0.119388 0.645220 H\n0.951722 0.679211 0.001760 H\n0.880612 0.521480 0.645220 H\n0.758034 0.177577 0.092465 H\n0.727489 0.048278 0.001760 H\n0.758637 0.076016 0.795222 H\n0.765975 0.090969 0.345195 H\n0.991169 0.540340 0.784104 H\n0.333333 0.666667 0.723200 S\n0.666667 0.333333 0.276800 S\n0.000000 0.000000 0.811073 Cl\n0.000000 0.000000 0.188927 Cl\n0.186377 0.936943 0.592956 O\n0.221399 0.821544 0.980781 O\n0.105547 0.478983 0.429269 O\n0.328306 0.880795 0.215455 O\n0.119205 0.447510 0.215455 O\n0.320418 0.826513 0.761272 O\n0.373436 0.894453 0.429269 O\n0.173487 0.493905 0.761272 O\n0.063057 0.249435 0.592956 O\n0.178456 0.399855 0.980781 O\n0.333333 0.666667 0.609766 O\n0.249435 0.186377 0.407044 O\n0.506095 0.679582 0.761272 O\n0.521017 0.626564 0.429269 O\n0.600145 0.778601 0.980781 O\n0.552490 0.671694 0.215455 O\n0.447510 0.328306 0.784545 O\n0.399855 0.221399 0.019219 O\n0.478983 0.373436 0.570731 O\n0.493905 0.320418 0.238728 O\n0.750565 0.813623 0.592956 O\n0.666667 0.333333 0.390234 O\n0.821544 0.600145 0.019219 O\n0.936943 0.750565 0.407044 O\n0.826513 0.506095 0.238728 O\n0.626564 0.105547 0.570731 O\n0.679582 0.173487 0.238728 O\n0.880795 0.552490 0.784545 O\n0.671694 0.119205 0.784545 O\n0.894453 0.521017 0.570731 O\n0.778601 0.178456 0.019219 O\n0.813623 0.063057 0.407044 O\n",
"nsites": 82,
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"elements": [
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"S",
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"O"
],
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"density": 2.5373654235390615,
"density_atomic": 0.10003483318880996,
"volume": 819.7144673118987,
"volume_molar": 6.020043786781309,
"formula_full": "Na2 Zn8 H36 S2 Cl2 O32",
"formula_reduced": "NaZn4H18SClO16",
"formula_anonymous": "ABCD4E16F18",
"energy": -426.4311310000001,
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"updated_at": "2021-11-28T01:39:08.768000Z",
"spacegroup": 147
},
{
"id": "mp-1181719",
"created_at": "2022-09-04T14:46:07.733858Z",
"structure_string": "Na2 Zn8 H12 S2 Cl2 O32\n1.0\n8.425544 0.000000 0.000000\n-4.141084 7.407980 0.000000\n-0.119726 -0.303171 12.380951\nNa Zn H S Cl O\n2 8 12 2 2 32\ndirect\n0.670154 0.313326 0.553374 Na\n0.329846 0.686674 0.446626 Na\n0.407990 0.125968 0.011112 Zn\n0.871522 0.285022 0.004107 Zn\n0.716686 0.587109 0.009358 Zn\n0.592010 0.874032 0.988888 Zn\n0.128478 0.714978 0.995893 Zn\n0.283314 0.412891 0.990642 Zn\n0.000423 0.005098 0.152599 Zn\n0.999577 0.994902 0.847401 Zn\n0.633940 0.092935 0.152655 H\n0.914776 0.527552 0.156696 H\n0.471581 0.385144 0.154047 H\n0.366060 0.907065 0.847345 H\n0.085224 0.472448 0.843304 H\n0.528419 0.614856 0.845953 H\n0.236498 0.914362 0.169632 H\n0.088550 0.322843 0.162612 H\n0.677009 0.767390 0.167135 H\n0.763502 0.085638 0.830368 H\n0.911450 0.677157 0.837388 H\n0.322991 0.232610 0.832865 H\n0.670587 0.339164 0.769249 S\n0.329413 0.660836 0.230751 S\n0.020246 0.046080 0.331841 Cl\n0.979754 0.953920 0.668159 Cl\n0.628900 0.102906 0.074679 O\n0.899293 0.522332 0.078458 O\n0.478387 0.375951 0.075886 O\n0.371100 0.897094 0.925321 O\n0.100707 0.477668 0.921542 O\n0.521613 0.624049 0.924114 O\n0.188801 0.940623 0.102788 O\n0.062379 0.249183 0.094912 O\n0.751573 0.813706 0.101814 O\n0.811199 0.059377 0.897212 O\n0.937621 0.750817 0.905088 O\n0.248427 0.186294 0.898186 O\n0.670905 0.335841 0.891570 O\n0.329095 0.664159 0.108430 O\n0.664911 0.171454 0.724278 O\n0.838877 0.498363 0.731152 O\n0.507446 0.347318 0.728945 O\n0.335089 0.828546 0.275722 O\n0.161123 0.501637 0.268848 O\n0.492554 0.652682 0.271055 O\n0.628554 0.194458 0.318431 O\n0.850291 0.609157 0.344140 O\n0.519857 0.250676 0.301973 O\n0.371446 0.805542 0.681569 O\n0.149709 0.390843 0.655860 O\n0.480143 0.749324 0.698027 O\n0.339424 0.138977 0.503110 O\n0.721879 0.023186 0.479728 O\n0.873151 0.609368 0.442842 O\n0.660576 0.861023 0.496890 O\n0.278121 0.976814 0.520272 O\n0.126849 0.390632 0.557158 O\n",
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"elements": [
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"O"
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"chemical_system": "Cl-H-Na-O-S-Zn",
"density": 2.6395159196250613,
"density_atomic": 0.07505441368912233,
"volume": 772.7726745056962,
"volume_molar": 8.02369969199132,
"formula_full": "Na2 Zn8 H12 S2 Cl2 O32",
"formula_reduced": "NaZn4H6SClO16",
"formula_anonymous": "ABCD4E6F16",
"energy": -303.63288909,
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"updated_at": "2021-11-28T01:37:23.354000Z",
"spacegroup": 2
},
{
"id": "mp-1202889",
"created_at": "2022-09-04T14:41:12.180122Z",
"structure_string": "Na8 Zn8 P8 H16 C16 O48\n1.0\n9.804767 0.000000 0.000000\n0.000000 10.280921 0.000000\n0.000000 0.000000 11.006015\nNa Zn P H C O\n8 8 8 16 16 48\ndirect\n0.083268 0.123224 0.925543 Na\n0.416732 0.623224 0.074457 Na\n0.583268 0.876776 0.574457 Na\n0.916732 0.376776 0.425543 Na\n0.916732 0.876776 0.074457 Na\n0.583268 0.376776 0.925543 Na\n0.416732 0.123224 0.425543 Na\n0.083268 0.623224 0.574457 Na\n0.916567 0.322184 0.105448 Zn\n0.583433 0.822184 0.894552 Zn\n0.416567 0.677816 0.394552 Zn\n0.083433 0.177816 0.605448 Zn\n0.083433 0.677816 0.894552 Zn\n0.416567 0.177816 0.105448 Zn\n0.583433 0.322184 0.605448 Zn\n0.916567 0.822184 0.394552 Zn\n0.217732 0.403681 0.961107 P\n0.282268 0.903681 0.038893 P\n0.717732 0.596319 0.538893 P\n0.782268 0.096319 0.461107 P\n0.782268 0.596319 0.038893 P\n0.717732 0.096319 0.961107 P\n0.282268 0.403681 0.461107 P\n0.217732 0.903681 0.538893 P\n0.317493 0.216829 0.753906 H\n0.182507 0.716829 0.246094 H\n0.817493 0.783171 0.746094 H\n0.682507 0.283171 0.253906 H\n0.682507 0.783171 0.246094 H\n0.817493 0.283171 0.753906 H\n0.182507 0.216829 0.253906 H\n0.317493 0.716829 0.746094 H\n0.273255 0.432707 0.745784 H\n0.226745 0.932707 0.254216 H\n0.773255 0.567293 0.754216 H\n0.726745 0.067293 0.245784 H\n0.726745 0.567293 0.254216 H\n0.773255 0.067293 0.745784 H\n0.226745 0.432707 0.245784 H\n0.273255 0.932707 0.754216 H\n0.945789 0.591195 0.240985 C\n0.554211 0.091195 0.759015 C\n0.445788 0.408805 0.259015 C\n0.054211 0.908805 0.740985 C\n0.054211 0.408805 0.759015 C\n0.445788 0.908805 0.240985 C\n0.554211 0.591195 0.740985 C\n0.945789 0.091195 0.259015 C\n0.199001 0.371941 0.794707 C\n0.300999 0.871941 0.205293 C\n0.699001 0.628059 0.705293 C\n0.800999 0.128059 0.294707 C\n0.800999 0.628059 0.205293 C\n0.699001 0.128059 0.794707 C\n0.300999 0.371941 0.294707 C\n0.199001 0.871941 0.705293 C\n0.357588 0.351367 0.002980 O\n0.142412 0.851367 0.997020 O\n0.857588 0.648633 0.497020 O\n0.642412 0.148633 0.502980 O\n0.642412 0.648633 0.997020 O\n0.857588 0.148633 0.002980 O\n0.142412 0.351367 0.502980 O\n0.357588 0.851367 0.497020 O\n0.213574 0.552799 0.977181 O\n0.286426 0.052799 0.022819 O\n0.713574 0.447201 0.522819 O\n0.786426 0.947201 0.477181 O\n0.786426 0.447201 0.022819 O\n0.713574 0.947201 0.977181 O\n0.286426 0.552799 0.477181 O\n0.213574 0.052799 0.522819 O\n0.097994 0.329011 0.016683 O\n0.402006 0.829011 0.983317 O\n0.597994 0.670989 0.483317 O\n0.902006 0.170989 0.516683 O\n0.902006 0.670989 0.983317 O\n0.597994 0.170989 0.016683 O\n0.402006 0.329011 0.516683 O\n0.097994 0.829011 0.483317 O\n0.218173 0.236575 0.766819 O\n0.281827 0.736575 0.233181 O\n0.718173 0.763425 0.733181 O\n0.781827 0.263425 0.266819 O\n0.781827 0.763425 0.233181 O\n0.718173 0.263425 0.766819 O\n0.281827 0.236575 0.266819 O\n0.218173 0.736575 0.733181 O\n0.983343 0.473604 0.232572 O\n0.516657 0.973604 0.767428 O\n0.483343 0.526396 0.267428 O\n0.016657 0.026396 0.732572 O\n0.016657 0.526396 0.767428 O\n0.483343 0.026396 0.232572 O\n0.516657 0.473604 0.732572 O\n0.983343 0.973604 0.267428 O\n0.022818 0.183108 0.221684 O\n0.477182 0.683108 0.778316 O\n0.522818 0.816892 0.278316 O\n0.977182 0.316892 0.721684 O\n0.977182 0.816892 0.778316 O\n0.522818 0.316892 0.221684 O\n0.477182 0.183108 0.721684 O\n0.022818 0.683108 0.278316 O\n",
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"formula_full": "Na8 Zn8 P8 H16 C16 O48",
"formula_reduced": "NaZnPH2(CO3)2",
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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",
"nsites": 104,
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"density": 2.730015078167605,
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"volume": 1453.982035331625,
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"formula_full": "Na8 Zn8 P16 H8 Cl8 O56",
"formula_reduced": "NaZnP2HClO7",
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{
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{
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{
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{
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{
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{
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"structure_string": "Nb4 Se8 S4 N8 Cl4 F24\n1.0\n8.543657 0.000000 0.000000\n0.000000 10.677697 0.000000\n0.000000 6.700667 11.968352\nNb Se S N Cl F\n4 8 4 8 4 24\ndirect\n0.191110 0.764961 0.322108 Nb\n0.808890 0.235039 0.677892 Nb\n0.691110 0.235039 0.177892 Nb\n0.308890 0.764961 0.822108 Nb\n0.176835 0.301621 0.977350 Se\n0.095809 0.319170 0.364023 Se\n0.595809 0.680830 0.135977 Se\n0.676835 0.698379 0.522650 Se\n0.323165 0.301621 0.477350 Se\n0.904191 0.680830 0.635977 Se\n0.404191 0.319170 0.864023 Se\n0.823165 0.698379 0.022650 Se\n0.229318 0.050994 0.950046 S\n0.729318 0.949006 0.549954 S\n0.270682 0.050994 0.450046 S\n0.770682 0.949006 0.049954 S\n0.118289 0.140096 0.389010 N\n0.624095 0.870638 0.503968 N\n0.881711 0.859904 0.610990 N\n0.381711 0.140096 0.889010 N\n0.875905 0.870638 0.003968 N\n0.618289 0.859904 0.110990 N\n0.375905 0.129362 0.496032 N\n0.124095 0.129362 0.996032 N\n0.812292 0.547474 0.813035 Cl\n0.687708 0.547474 0.313035 Cl\n0.312292 0.452526 0.686965 Cl\n0.187708 0.452526 0.186965 Cl\n0.653294 0.445295 0.102360 F\n0.763356 0.034021 0.748687 F\n0.489418 0.205464 0.248333 F\n0.010582 0.205464 0.748333 F\n0.285189 0.752928 0.198515 F\n0.594383 0.225196 0.052832 F\n0.714811 0.247072 0.801485 F\n0.094383 0.774804 0.447168 F\n0.390821 0.719288 0.399876 F\n0.153294 0.554705 0.397640 F\n0.609179 0.280712 0.600124 F\n0.736644 0.034021 0.248687 F\n0.346706 0.554705 0.897640 F\n0.989418 0.794536 0.251667 F\n0.109179 0.719288 0.899876 F\n0.785189 0.247072 0.301485 F\n0.236644 0.965979 0.251313 F\n0.846706 0.445295 0.602360 F\n0.510582 0.794536 0.751667 F\n0.905617 0.225196 0.552832 F\n0.890821 0.280712 0.100124 F\n0.263356 0.965979 0.751313 F\n0.405617 0.774804 0.947168 F\n0.214811 0.752928 0.698515 F\n",
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"volume_molar": 12.644548010067753,
"formula_full": "Nb4 Se8 S4 N8 Cl4 F24",
"formula_reduced": "NbSe2SN2ClF6",
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"energy_uncorrected": -280.29912654,
"band_gap": 1.9763,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.43e-05,
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"updated_at": "2021-11-28T01:37:53.051000Z",
"spacegroup": 14
},
{
"id": "mp-1204019",
"created_at": "2022-09-04T14:45:34.659968Z",
"structure_string": "Nd2 Ag2 H20 C40 N12 O16\n1.0\n8.715543 7.302578 0.000000\n-8.715543 7.302578 0.000000\n0.000000 3.961907 8.315566\nNd Ag H C N O\n2 2 20 40 12 16\ndirect\n0.406369 0.593631 0.250000 Nd\n0.593631 0.406369 0.750000 Nd\n0.859698 0.140302 0.750000 Ag\n0.140302 0.859698 0.250000 Ag\n0.070495 0.436014 0.624421 H\n0.563986 0.929505 0.875579 H\n0.929505 0.563986 0.375579 H\n0.436014 0.070495 0.124421 H\n0.842765 0.319965 0.123968 H\n0.680035 0.157235 0.376032 H\n0.157235 0.680035 0.876032 H\n0.319965 0.842765 0.623968 H\n0.246359 0.347809 0.984403 H\n0.652191 0.753641 0.515597 H\n0.753641 0.652191 0.015597 H\n0.347809 0.246359 0.484403 H\n0.881308 0.332999 0.374722 H\n0.667001 0.118692 0.125278 H\n0.118692 0.667001 0.625278 H\n0.332999 0.881308 0.874722 H\n0.173799 0.164742 0.217169 H\n0.835258 0.826201 0.282831 H\n0.826201 0.835258 0.782831 H\n0.164742 0.173799 0.717169 H\n0.063240 0.407644 0.750493 C\n0.592356 0.936760 0.749507 C\n0.936760 0.592356 0.249507 C\n0.407644 0.063240 0.250493 C\n0.945289 0.382364 0.870514 C\n0.617636 0.054711 0.629486 C\n0.054711 0.617636 0.129486 C\n0.382364 0.945289 0.370514 C\n0.935328 0.340514 0.032712 C\n0.659486 0.064672 0.467288 C\n0.064672 0.659486 0.967288 C\n0.340514 0.935328 0.532712 C\n0.042582 0.324536 0.072963 C\n0.675464 0.957418 0.427037 C\n0.957418 0.675464 0.927037 C\n0.324536 0.042582 0.572963 C\n0.161276 0.355629 0.954081 C\n0.644371 0.838724 0.545919 C\n0.838724 0.644371 0.045919 C\n0.355629 0.161276 0.454081 C\n0.171686 0.396137 0.792027 C\n0.603863 0.828314 0.707973 C\n0.828314 0.603863 0.207973 C\n0.396137 0.171686 0.292027 C\n0.949809 0.277586 0.372429 C\n0.722414 0.050191 0.127571 C\n0.050191 0.722414 0.627571 C\n0.277586 0.949809 0.872429 C\n0.100964 0.192216 0.294245 C\n0.807784 0.899036 0.205755 C\n0.899036 0.807784 0.705755 C\n0.192216 0.100964 0.794245 C\n0.826771 0.393790 0.828575 C\n0.606210 0.173229 0.671425 C\n0.173229 0.606210 0.171425 C\n0.393790 0.826771 0.328575 C\n0.299593 0.419651 0.664526 C\n0.580349 0.700407 0.835474 C\n0.700407 0.580349 0.335474 C\n0.419651 0.299593 0.164526 C\n0.031785 0.270315 0.237670 N\n0.729685 0.968215 0.262330 N\n0.968215 0.729685 0.762330 N\n0.270315 0.031785 0.737670 N\n0.968611 0.208329 0.500452 N\n0.791671 0.031389 0.999548 N\n0.031389 0.791671 0.499548 N\n0.208329 0.968611 0.000452 N\n0.064925 0.154186 0.451521 N\n0.845814 0.935075 0.048479 N\n0.935075 0.845814 0.548479 N\n0.154186 0.064925 0.951521 N\n0.831944 0.414723 0.682743 O\n0.585277 0.168056 0.817257 O\n0.168056 0.585277 0.317257 O\n0.414723 0.831944 0.182743 O\n0.724281 0.380492 0.939824 O\n0.619508 0.275719 0.560176 O\n0.275719 0.619508 0.060176 O\n0.380492 0.724281 0.439824 O\n0.302200 0.442049 0.520787 O\n0.557951 0.697800 0.979213 O\n0.697800 0.557951 0.479213 O\n0.442049 0.302200 0.020787 O\n0.393971 0.409991 0.710267 O\n0.590009 0.606029 0.789733 O\n0.606029 0.590009 0.289733 O\n0.409991 0.393971 0.210267 O\n",
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"elements": [
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],
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"density_atomic": 0.08691512567226378,
"volume": 1058.5039058323412,
"volume_molar": 6.928760343404504,
"formula_full": "Nd2 Ag2 H20 C40 N12 O16",
"formula_reduced": "NdAgH10C20(N3O4)2",
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"updated_at": "2021-11-28T01:37:09.589000Z",
"spacegroup": 15
}
]
}