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{
"count": 146323,
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"results": [
{
"id": "mp-707176",
"created_at": "2022-09-04T14:48:26.686160Z",
"structure_string": "Na2 Ca4 Al4 P4 H10 O22 F8\n1.0\n10.788991 0.000000 0.000000\n0.000000 5.530614 0.000000\n0.000000 2.569571 9.233817\nNa Ca Al P H O F\n2 4 4 4 10 22 8\ndirect\n0.250000 0.793013 0.686479 Na\n0.750000 0.206987 0.313521 Na\n0.915924 0.761603 0.143429 Ca\n0.415924 0.238397 0.856571 Ca\n0.084076 0.238397 0.856571 Ca\n0.584076 0.761603 0.143429 Ca\n0.094607 0.228463 0.258064 Al\n0.594607 0.771537 0.741936 Al\n0.905393 0.771537 0.741936 Al\n0.405393 0.228463 0.258064 Al\n0.250000 0.627607 0.043950 P\n0.750000 0.372393 0.956050 P\n0.250000 0.358330 0.508632 P\n0.750000 0.641670 0.491368 P\n0.250000 0.018545 0.152003 H\n0.750000 0.981455 0.847997 H\n0.518803 0.827246 0.436920 H\n0.018803 0.172754 0.563080 H\n0.481197 0.172754 0.563080 H\n0.981197 0.827246 0.436920 H\n0.378365 0.773876 0.391410 H\n0.878365 0.226124 0.608590 H\n0.621635 0.226124 0.608590 H\n0.121635 0.773876 0.391410 H\n0.250000 0.912718 0.972088 O\n0.750000 0.087282 0.027912 O\n0.250000 0.101583 0.231362 O\n0.750000 0.898417 0.768638 O\n0.250000 0.237882 0.674962 O\n0.750000 0.762118 0.325038 O\n0.250000 0.645877 0.470369 O\n0.750000 0.354123 0.529631 O\n0.250000 0.476009 0.928992 O\n0.750000 0.523991 0.071008 O\n0.457831 0.869791 0.354333 O\n0.957831 0.130209 0.645667 O\n0.542169 0.130209 0.645667 O\n0.042169 0.869791 0.354333 O\n0.366701 0.261067 0.444042 O\n0.866701 0.738933 0.555958 O\n0.633299 0.738933 0.555958 O\n0.133299 0.261067 0.444042 O\n0.367688 0.557265 0.143659 O\n0.867688 0.442735 0.856341 O\n0.632312 0.442735 0.856341 O\n0.132312 0.557265 0.143659 O\n0.466610 0.142278 0.096159 F\n0.966610 0.857722 0.903841 F\n0.533390 0.857722 0.903841 F\n0.033390 0.142278 0.096159 F\n0.442061 0.655581 0.716808 F\n0.942061 0.344419 0.283192 F\n0.557939 0.344419 0.283192 F\n0.057939 0.655581 0.716808 F\n",
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"formula_full": "Na2 Ca4 Al4 P4 H10 O22 F8",
"formula_reduced": "NaCa2Al2P2H5O11F4",
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"updated_at": "2021-11-28T01:39:22.988000Z",
"spacegroup": 11
},
{
"id": "mp-1223113",
"created_at": "2022-09-04T14:39:16.659975Z",
"structure_string": "Na4 Nb4 C16 S8 N6 Cl2 O38\n1.0\n10.748706 0.000000 0.000000\n-5.292217 10.078963 0.000000\n-0.890695 -2.652333 13.033735\nNa Nb C S N Cl O\n4 4 16 8 6 2 38\ndirect\n0.174329 0.775241 0.334851 Na\n0.825671 0.224759 0.665149 Na\n0.165460 0.570790 0.716893 Na\n0.834540 0.429210 0.283107 Na\n0.463892 0.634156 0.014934 Nb\n0.536108 0.365844 0.985066 Nb\n0.323932 0.411317 0.505304 Nb\n0.676068 0.588683 0.494696 Nb\n0.556973 0.879070 0.923168 C\n0.443027 0.120930 0.076832 C\n0.435426 0.763246 0.841469 C\n0.564574 0.236754 0.158531 C\n0.408240 0.743378 0.214721 C\n0.591760 0.256622 0.785279 C\n0.138840 0.255269 0.642860 C\n0.861160 0.744731 0.357140 C\n0.179180 0.154773 0.580981 C\n0.820820 0.845227 0.419019 C\n0.062999 0.356012 0.372723 C\n0.937001 0.643988 0.627277 C\n0.269824 0.688097 0.136635 C\n0.730176 0.311903 0.863365 C\n0.125564 0.506076 0.426806 C\n0.874436 0.493924 0.573194 C\n0.522335 0.628605 0.620620 S\n0.477665 0.371395 0.379380 S\n0.636861 0.585703 0.908230 S\n0.363139 0.414297 0.091770 S\n0.692815 0.621762 0.063267 S\n0.307185 0.378238 0.936733 S\n0.546203 0.462382 0.632978 S\n0.453797 0.537618 0.367022 S\n0.061175 0.813230 0.964019 N\n0.938825 0.186770 0.035981 N\n0.620315 0.956847 0.557881 N\n0.379685 0.043153 0.442119 N\n0.096268 0.045532 0.238122 N\n0.903732 0.954468 0.761878 N\n0.225993 0.972656 0.815751 Cl\n0.774007 0.027344 0.184249 Cl\n0.392143 0.781151 0.760799 O\n0.607857 0.218849 0.239201 O\n0.162446 0.686416 0.164840 O\n0.837554 0.313584 0.835160 O\n0.506718 0.725880 0.173928 O\n0.493282 0.274120 0.826072 O\n0.041764 0.531906 0.873919 O\n0.958236 0.468094 0.126081 O\n0.269849 0.214074 0.518158 O\n0.730151 0.785926 0.481842 O\n0.619647 0.995867 0.914353 O\n0.380353 0.004133 0.085647 O\n0.044000 0.223164 0.695429 O\n0.956000 0.776836 0.304571 O\n0.129279 0.037511 0.589405 O\n0.870721 0.962489 0.410595 O\n0.070935 0.574731 0.401186 O\n0.929065 0.425269 0.598814 O\n0.234481 0.547546 0.496559 O\n0.765519 0.452454 0.503441 O\n0.280077 0.639228 0.044001 O\n0.719923 0.360772 0.955999 O\n0.628016 0.953409 0.648422 O\n0.371984 0.046591 0.351578 O\n0.383963 0.644204 0.868163 O\n0.616037 0.355796 0.131837 O\n0.144132 0.303218 0.398099 O\n0.855868 0.696782 0.601901 O\n0.580220 0.830434 0.005125 O\n0.419780 0.169566 0.994875 O\n0.315013 0.955257 0.489331 O\n0.684987 0.044743 0.510669 O\n0.412038 0.788373 0.305462 O\n0.587962 0.211627 0.694538 O\n0.950243 0.297457 0.313988 O\n0.049757 0.702543 0.686012 O\n0.215549 0.382781 0.628861 O\n0.784451 0.617219 0.371139 O\n",
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"elements": [
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"C",
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"N",
"Cl",
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],
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"density": 1.9700381293153217,
"density_atomic": 0.05524000139567949,
"volume": 1412.0202394871887,
"volume_molar": 10.90177517712918,
"formula_full": "Na4 Nb4 C16 S8 N6 Cl2 O38",
"formula_reduced": "Na2Nb2C8S4N3ClO19",
"formula_anonymous": "AB2C2D3E4F8G19",
"energy": -550.22339343,
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"updated_at": "2021-11-28T01:34:39.596000Z",
"spacegroup": 2
},
{
"id": "mp-711343",
"created_at": "2022-09-04T14:39:23.468327Z",
"structure_string": "H16 Ru8 C64 S24 N8 Cl24 O24\n1.0\n10.597685 0.000000 0.000000\n0.000000 14.790547 0.000000\n0.000000 0.000000 28.500391\nH Ru C S N Cl O\n16 8 64 24 8 24 24\ndirect\n0.883848 0.217470 0.883406 H\n0.383848 0.782530 0.116594 H\n0.383848 0.717470 0.616594 H\n0.883848 0.282530 0.383406 H\n0.774115 0.152927 0.852309 H\n0.274115 0.847073 0.147691 H\n0.274115 0.652927 0.647691 H\n0.774115 0.347073 0.352309 H\n0.266077 0.075614 0.677468 H\n0.766077 0.924386 0.322532 H\n0.766077 0.575614 0.822532 H\n0.266077 0.424386 0.177468 H\n0.184376 0.147240 0.591724 H\n0.684376 0.852760 0.408276 H\n0.684376 0.647240 0.908276 H\n0.184376 0.352760 0.091724 H\n0.481194 0.106742 0.755927 Ru\n0.981194 0.893258 0.244073 Ru\n0.981194 0.606742 0.744073 Ru\n0.481194 0.393258 0.255927 Ru\n0.991695 0.215977 0.529867 Ru\n0.491695 0.784023 0.470133 Ru\n0.491695 0.715977 0.970133 Ru\n0.991695 0.284023 0.029867 Ru\n0.946490 0.096703 0.858955 C\n0.446490 0.903297 0.141045 C\n0.446490 0.596703 0.641045 C\n0.946490 0.403297 0.358955 C\n0.369946 0.115675 0.868717 C\n0.869946 0.884325 0.131283 C\n0.869946 0.615675 0.631283 C\n0.369946 0.384325 0.368717 C\n0.307614 0.179494 0.888873 C\n0.807614 0.820506 0.111127 C\n0.807614 0.679494 0.611127 C\n0.307614 0.320506 0.388873 C\n0.031512 0.034478 0.850757 C\n0.531512 0.965522 0.149243 C\n0.531512 0.534478 0.649243 C\n0.031512 0.465522 0.350757 C\n0.653527 0.835184 0.751554 C\n0.153527 0.164816 0.248446 C\n0.153527 0.335184 0.748446 C\n0.653527 0.664816 0.251554 C\n0.662831 0.915756 0.735542 C\n0.162831 0.084244 0.264458 C\n0.162831 0.415756 0.764458 C\n0.662831 0.584244 0.235542 C\n0.629712 0.299679 0.717568 C\n0.129712 0.700321 0.282432 C\n0.129712 0.799679 0.782432 C\n0.629712 0.200321 0.217568 C\n0.703094 0.307995 0.681743 C\n0.203094 0.692005 0.318257 C\n0.203094 0.807995 0.818257 C\n0.703094 0.192005 0.181743 C\n0.052525 0.050588 0.682292 C\n0.552525 0.949412 0.317708 C\n0.552525 0.550588 0.817708 C\n0.052525 0.449412 0.182292 C\n0.092565 0.073537 0.444799 C\n0.592565 0.926463 0.555201 C\n0.592565 0.573537 0.055201 C\n0.092565 0.426463 0.944799 C\n0.203019 0.051915 0.429605 C\n0.703019 0.948085 0.570395 C\n0.703019 0.551915 0.070395 C\n0.203019 0.448085 0.929605 C\n0.113432 0.979644 0.650464 C\n0.613432 0.020356 0.349536 C\n0.613432 0.479644 0.849536 C\n0.113432 0.520356 0.150464 C\n0.266277 0.424006 0.547127 C\n0.766277 0.575994 0.452873 C\n0.766277 0.924006 0.952873 C\n0.266277 0.075994 0.047127 C\n0.155766 0.418542 0.528513 C\n0.655766 0.581458 0.471487 C\n0.655766 0.918542 0.971487 C\n0.155766 0.081458 0.028513 C\n0.580053 0.201312 0.531488 C\n0.080053 0.798688 0.468512 C\n0.080053 0.701312 0.968512 C\n0.580053 0.298688 0.031488 C\n0.677588 0.252383 0.535805 C\n0.177588 0.747617 0.464195 C\n0.177588 0.752383 0.964195 C\n0.677588 0.247617 0.035805 C\n0.486438 0.092983 0.834935 S\n0.986438 0.907017 0.165065 S\n0.986438 0.592983 0.665065 S\n0.486438 0.407017 0.334935 S\n0.661028 0.022320 0.747920 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0.076708 O\n0.893595 0.330362 0.923292 O\n0.104330 0.347631 0.446433 O\n0.604330 0.652369 0.553567 O\n0.604330 0.847631 0.053567 O\n0.104330 0.152369 0.946433 O\n0.809583 0.362967 0.484710 O\n0.309583 0.637033 0.515290 O\n0.309583 0.862967 0.015290 O\n0.809583 0.137033 0.984710 O\n",
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"elements": [
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"C",
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],
"chemical_system": "C-Cl-H-N-O-Ru-S",
"density": 1.3789819202968892,
"density_atomic": 0.03760652642172134,
"volume": 4467.309692898519,
"volume_molar": 16.013552255444793,
"formula_full": "H16 Ru8 C64 S24 N8 Cl24 O24",
"formula_reduced": "H2RuC8S3N(ClO)3",
"formula_anonymous": "ABC2D3E3F3G8",
"energy": -950.1031155,
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"energy_uncorrected": -913.1271155,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:35.006000Z",
"spacegroup": 33
},
{
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{
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"structure_string": "Rb8 Na4 Mn4 H24 C20 N22 O12\n1.0\n0.000000 0.000000 9.451316\n9.066426 8.742503 0.000000\n-9.066426 8.742503 0.000000\nRb Na Mn H C N O\n8 4 4 24 20 22 12\ndirect\n0.724420 0.304808 0.304808 Rb\n0.275580 0.695192 0.695192 Rb\n0.224420 0.195192 0.195192 Rb\n0.775580 0.804808 0.804808 Rb\n0.500000 0.271434 0.728566 Rb\n0.000000 0.771434 0.228566 Rb\n0.500000 0.728566 0.271434 Rb\n0.000000 0.228566 0.771434 Rb\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.672979 0.551651 0.551651 Mn\n0.327021 0.448349 0.448349 Mn\n0.172979 0.948349 0.948349 Mn\n0.827021 0.051651 0.051651 Mn\n0.740673 0.059522 0.643531 H\n0.259327 0.356469 0.940478 H\n0.240673 0.856469 0.440478 H\n0.759327 0.559522 0.143531 H\n0.259327 0.940478 0.356469 H\n0.740673 0.643531 0.059522 H\n0.759327 0.143531 0.559522 H\n0.240673 0.440478 0.856469 H\n0.696019 0.976319 0.320116 H\n0.303981 0.679884 0.023681 H\n0.196019 0.179884 0.523681 H\n0.803981 0.476319 0.820116 H\n0.303981 0.023681 0.679884 H\n0.696019 0.320116 0.976319 H\n0.803981 0.820116 0.476319 H\n0.196019 0.523681 0.179884 H\n0.550456 0.989454 0.266927 H\n0.449544 0.733073 0.010546 H\n0.050456 0.233073 0.510546 H\n0.949544 0.489454 0.766927 H\n0.449544 0.010546 0.733073 H\n0.550456 0.266927 0.989454 H\n0.949544 0.766927 0.489454 H\n0.050456 0.510546 0.233073 H\n0.871707 0.614276 0.614276 C\n0.128293 0.385724 0.385724 C\n0.371707 0.885724 0.885724 C\n0.628293 0.114276 0.114276 C\n0.749599 0.381137 0.565385 C\n0.250401 0.434615 0.618863 C\n0.249599 0.934615 0.118863 C\n0.750401 0.881137 0.065385 C\n0.250401 0.618863 0.434615 C\n0.749599 0.565385 0.381137 C\n0.750401 0.065385 0.881137 C\n0.249599 0.118863 0.934615 C\n0.596509 0.724146 0.545958 C\n0.403491 0.454042 0.275854 C\n0.096509 0.954042 0.775854 C\n0.903491 0.224146 0.045958 C\n0.403491 0.275854 0.454042 C\n0.596509 0.545958 0.724146 C\n0.903491 0.045958 0.224146 C\n0.096509 0.775854 0.954042 C\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.970284 0.655415 0.655415 N\n0.029716 0.344585 0.344585 N\n0.470284 0.844585 0.844585 N\n0.529716 0.155415 0.155415 N\n0.779328 0.291457 0.576393 N\n0.220672 0.423607 0.708543 N\n0.279328 0.923607 0.208543 N\n0.720672 0.791457 0.076393 N\n0.220672 0.708543 0.423607 N\n0.779328 0.576393 0.291457 N\n0.720672 0.076393 0.791457 N\n0.279328 0.208543 0.923607 N\n0.571739 0.815496 0.540635 N\n0.428261 0.459365 0.184504 N\n0.071739 0.959365 0.684504 N\n0.928261 0.315496 0.040635 N\n0.428261 0.184504 0.459365 N\n0.571739 0.540635 0.815496 N\n0.928261 0.040635 0.315496 N\n0.071739 0.684504 0.959365 N\n0.750000 0.065539 0.565539 O\n0.250000 0.434461 0.934461 O\n0.250000 0.934461 0.434461 O\n0.750000 0.565539 0.065539 O\n0.597159 0.953419 0.324823 O\n0.402841 0.675177 0.046581 O\n0.097159 0.175177 0.546581 O\n0.902841 0.453419 0.824823 O\n0.402841 0.046581 0.675177 O\n0.597159 0.324823 0.953419 O\n0.902841 0.824823 0.453419 O\n0.097159 0.546581 0.175177 O\n",
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"elements": [
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"Na",
"Mn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mn-N-Na-O-Rb",
"density": 1.9505953473964655,
"density_atomic": 0.0627384323722165,
"volume": 1498.2841688219735,
"volume_molar": 9.59880655651652,
"formula_full": "Rb8 Na4 Mn4 H24 C20 N22 O12",
"formula_reduced": "Rb4Na2Mn2H12C10N11O6",
"formula_anonymous": "A2B2C4D6E10F11G12",
"energy": -609.85993991,
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"formation_energy": null,
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"band_gap": 0.6684,
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"updated_at": "2021-11-28T01:37:21.379000Z",
"spacegroup": 64
},
{
"id": "mp-1200564",
"created_at": "2022-09-04T14:46:56.095422Z",
"structure_string": "Zn2 Si6 Ge2 H70 C26 Br2 O2\n1.0\n10.114176 0.000000 0.000000\n-1.386504 10.934594 0.000000\n-3.729695 -1.026150 13.277225\nZn Si Ge H C Br O\n2 6 2 70 26 2 2\ndirect\n0.904200 0.868519 0.910908 Zn\n0.095800 0.131481 0.089092 Zn\n0.089628 0.725535 0.733489 Si\n0.910372 0.274465 0.266511 Si\n0.730387 0.552708 0.738862 Si\n0.269613 0.447292 0.261138 Si\n0.746519 0.872888 0.619091 Si\n0.253481 0.127112 0.380909 Si\n0.863295 0.752590 0.748873 Ge\n0.136705 0.247410 0.251127 Ge\n0.226405 0.907231 0.848113 H\n0.773595 0.092769 0.151887 H\n0.317508 0.852820 0.764906 H\n0.682492 0.147180 0.235094 H\n0.184149 0.944395 0.720077 H\n0.815851 0.055605 0.279923 H\n0.734416 0.469835 0.567063 H\n0.265584 0.530165 0.432937 H\n0.870089 0.422626 0.662580 H\n0.129911 0.577374 0.337420 H\n0.696659 0.351609 0.643567 H\n0.303341 0.648391 0.356433 H\n0.602353 0.917611 0.955739 H\n0.397647 0.082389 0.044261 H\n0.560696 0.761589 0.905655 H\n0.439304 0.238411 0.094345 H\n0.174084 0.635275 0.898929 H\n0.825916 0.364725 0.101071 H\n0.106070 0.516885 0.799833 H\n0.893930 0.483115 0.200167 H\n0.272134 0.602633 0.813956 H\n0.727866 0.397367 0.186044 H\n0.620395 0.625177 0.125280 H\n0.379605 0.374823 0.874720 H\n0.655482 0.754018 0.213093 H\n0.344518 0.245982 0.786907 H\n0.846995 0.687476 0.111082 H\n0.153005 0.312524 0.888918 H\n0.853206 0.838985 0.163482 H\n0.146794 0.161015 0.836518 H\n0.624163 0.704704 0.483650 H\n0.375837 0.295296 0.516350 H\n0.643262 0.850390 0.434013 H\n0.356738 0.149610 0.565987 H\n0.786838 0.767393 0.467254 H\n0.213162 0.232607 0.532746 H\n0.504541 0.596584 0.625749 H\n0.495459 0.403416 0.374251 H\n0.481698 0.466696 0.694773 H\n0.518302 0.533304 0.305227 H\n0.506450 0.617637 0.754212 H\n0.493550 0.382363 0.245788 H\n0.882848 0.471129 0.889734 H\n0.117152 0.528871 0.110266 H\n0.747663 0.537355 0.922386 H\n0.252337 0.462645 0.077614 H\n0.711753 0.390219 0.854371 H\n0.288247 0.609781 0.145629 H\n0.508006 0.835354 0.644701 H\n0.491994 0.164646 0.355299 H\n0.606195 0.971558 0.715902 H\n0.393805 0.028442 0.284098 H\n0.534074 0.971985 0.583836 H\n0.465926 0.028015 0.416164 H\n0.519262 0.872108 0.096071 H\n0.480738 0.127892 0.903929 H\n0.442168 0.729042 0.030724 H\n0.557832 0.270958 0.969276 H\n0.049237 0.738652 0.547182 H\n0.950763 0.261348 0.452818 H\n0.196464 0.666472 0.600563 H\n0.803536 0.333528 0.399437 H\n0.027270 0.582611 0.575867 H\n0.972730 0.417389 0.424133 H\n0.953774 0.004830 0.593724 H\n0.046226 0.995170 0.406276 H\n0.799107 0.072339 0.553028 H\n0.200893 0.927661 0.446972 H\n0.886554 0.078850 0.683687 H\n0.113446 0.921150 0.316313 H\n0.215449 0.872270 0.770405 C\n0.784551 0.127730 0.229595 C\n0.761659 0.439739 0.643763 C\n0.238341 0.560261 0.356237 C\n0.607845 0.822021 0.975199 C\n0.392155 0.177979 0.024801 C\n0.166653 0.608670 0.820071 C\n0.833347 0.391330 0.179929 C\n0.648668 0.725569 0.134618 C\n0.351332 0.274431 0.865382 C\n0.786488 0.764032 0.110933 C\n0.213512 0.235968 0.889067 C\n0.695637 0.790024 0.489133 C\n0.304363 0.209976 0.510867 C\n0.537787 0.560164 0.699881 C\n0.462213 0.439836 0.300119 C\n0.772598 0.482116 0.863559 C\n0.227402 0.517884 0.136441 C\n0.583156 0.916039 0.643954 C\n0.416844 0.083961 0.356046 C\n0.541438 0.789154 0.059774 C\n0.458562 0.210846 0.940226 C\n0.088989 0.673083 0.601650 C\n0.911011 0.326917 0.398350 C\n0.858424 0.020985 0.612523 C\n0.141576 0.979015 0.387477 C\n0.878732 0.097384 0.938568 Br\n0.121268 0.902616 0.061432 Br\n0.753057 0.805369 0.009547 O\n0.246943 0.194631 0.990453 O\n",
"nsites": 110,
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"elements": [
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"H",
"C",
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"O"
],
"chemical_system": "Br-C-Ge-H-O-Si-Zn",
"density": 1.1526304818312592,
"density_atomic": 0.07491213956235893,
"volume": 1468.3868414735769,
"volume_molar": 8.038938408623352,
"formula_full": "Zn2 Si6 Ge2 H70 C26 Br2 O2",
"formula_reduced": "ZnSi3GeH35C13BrO",
"formula_anonymous": "ABCDE3F13G35",
"energy": -560.74061595,
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"updated_at": "2021-11-28T01:37:48.912000Z",
"spacegroup": 2
},
{
"id": "mp-1221911",
"created_at": "2022-09-04T14:46:59.519957Z",
"structure_string": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2\n1.0\n10.461503 0.000000 0.000000\n0.000000 7.431617 0.000000\n0.000000 3.812119 10.401903\nNa Ca Zr Nb Si O F\n4 8 2 2 8 34 2\ndirect\n0.421779 0.957499 0.361835 Na\n0.921779 0.042501 0.638165 Na\n0.568638 0.300573 0.125964 Na\n0.068638 0.699427 0.874036 Na\n0.221383 0.299528 0.158547 Ca\n0.721383 0.700472 0.841453 Ca\n0.190487 0.802354 0.149899 Ca\n0.690487 0.197646 0.850101 Ca\n0.426968 0.433273 0.367312 Ca\n0.926968 0.566727 0.632688 Ca\n0.805775 0.955677 0.349365 Ca\n0.305775 0.044323 0.650635 Ca\n0.809173 0.458648 0.349604 Zr\n0.309173 0.541352 0.650396 Zr\n0.557638 0.794529 0.116813 Nb\n0.057638 0.205471 0.883187 Nb\n0.124848 0.372016 0.430577 Si\n0.624848 0.627984 0.569423 Si\n0.878415 0.804388 0.076627 Si\n0.378415 0.195612 0.923373 Si\n0.125030 0.935472 0.434271 Si\n0.625030 0.064528 0.565729 Si\n0.874013 0.382531 0.070534 Si\n0.374013 0.617469 0.929466 Si\n0.002865 0.937683 0.015902 O\n0.502865 0.062317 0.984098 O\n0.007896 0.312185 0.017928 O\n0.507896 0.687815 0.982072 O\n0.980732 0.859863 0.470542 O\n0.480732 0.140137 0.529458 O\n0.976828 0.408278 0.466151 O\n0.476828 0.591722 0.533849 O\n0.900991 0.614291 0.034742 O\n0.400991 0.385709 0.965258 O\n0.739916 0.891884 0.014716 O\n0.239916 0.108116 0.985284 O\n0.168752 0.975819 0.287362 O\n0.668752 0.024181 0.712638 O\n0.142760 0.136054 0.471554 O\n0.642760 0.863946 0.528446 O\n0.400830 0.267938 0.249865 O\n0.900830 0.732062 0.750135 O\n0.880065 0.738380 0.233670 O\n0.380065 0.261620 0.766330 O\n0.734869 0.589172 0.473284 O\n0.234869 0.410828 0.526716 O\n0.747943 0.355811 0.995851 O\n0.247943 0.644189 0.004149 O\n0.641262 0.567473 0.230047 O\n0.141262 0.432527 0.769953 O\n0.163468 0.487236 0.283702 O\n0.663468 0.512764 0.716298 O\n0.863322 0.291565 0.228947 O\n0.363322 0.708435 0.771053 O\n0.731057 0.198950 0.460240 O\n0.231057 0.801050 0.539760 O\n0.410086 0.762982 0.212160 O\n0.910086 0.237018 0.787840 O\n0.626211 0.962125 0.227295 F\n0.126211 0.037875 0.772705 F\n",
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"formula_full": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2",
"formula_reduced": "Na2Ca4ZrNbSi4O17F",
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"updated_at": "2021-11-28T01:37:45.909000Z",
"spacegroup": 4
},
{
"id": "mp-1221913",
"created_at": "2022-09-04T14:47:06.138677Z",
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"updated_at": "2021-11-28T01:37:54.645000Z",
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},
{
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{
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}
]
}