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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=7",
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"results": [
{
"id": "mp-1220771",
"created_at": "2022-09-04T14:41:50.660409Z",
"structure_string": "Rb4 Nb6 C6 S6 N6 Cl12 O4\n1.0\n8.998877 -0.020218 -1.422334\n-3.220180 10.501483 -5.136319\n-0.050880 -0.091304 12.138089\nRb Nb C S N Cl O\n4 6 6 6 6 12 4\ndirect\n0.993325 0.376377 0.147695 Rb\n0.006675 0.623623 0.852305 Rb\n0.481213 0.231929 0.263468 Rb\n0.518787 0.768072 0.736532 Rb\n0.794145 0.847637 0.454353 Nb\n0.205855 0.152363 0.545647 Nb\n0.910252 0.135352 0.632457 Nb\n0.089748 0.864648 0.367543 Nb\n0.887584 0.032429 0.350751 Nb\n0.112416 0.967571 0.649249 Nb\n0.740225 0.080246 0.111331 C\n0.259775 0.919754 0.888669 C\n0.483335 0.610878 0.394600 C\n0.516665 0.389122 0.605400 C\n0.779672 0.346530 0.844572 C\n0.220328 0.653470 0.155428 C\n0.683433 0.103706 0.993121 S\n0.316567 0.896294 0.006879 S\n0.270859 0.548024 0.046394 S\n0.729141 0.451976 0.953606 S\n0.339410 0.498665 0.377307 S\n0.660590 0.501335 0.622693 S\n0.779158 0.065908 0.201870 N\n0.220842 0.934092 0.798130 N\n0.819515 0.269306 0.764014 N\n0.180485 0.730694 0.235986 N\n0.590530 0.696980 0.412609 N\n0.409470 0.303020 0.587391 N\n0.663973 0.981057 0.598803 Cl\n0.336027 0.018943 0.401197 Cl\n0.771456 0.191318 0.481755 Cl\n0.228544 0.808682 0.518245 Cl\n0.869094 0.674396 0.298580 Cl\n0.130906 0.325604 0.701420 Cl\n0.104359 0.211034 0.384750 Cl\n0.895641 0.788966 0.615250 Cl\n0.639559 0.864385 0.279462 Cl\n0.360441 0.135615 0.720538 Cl\n0.976769 0.885134 0.182400 Cl\n0.023231 0.114866 0.817600 Cl\n0.836635 0.411461 0.349689 O\n0.163365 0.588539 0.650311 O\n0.155254 0.179606 0.114587 O\n0.844746 0.820394 0.885413 O\n",
"nsites": 44,
"nelements": 7,
"elements": [
"Rb",
"Nb",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-N-Nb-O-Rb-S",
"density": 2.5285436464729205,
"density_atomic": 0.0385669098926841,
"volume": 1140.8743952376265,
"volume_molar": 15.614786812729228,
"formula_full": "Rb4 Nb6 C6 S6 N6 Cl12 O4",
"formula_reduced": "Rb2Nb3C3S3N3(Cl3O)2",
"formula_anonymous": "A2B2C3D3E3F3G6",
"energy": -273.58261287,
"energy_per_atom": -6.217786656136363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.28261287,
"band_gap": 0.09,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.731000Z",
"spacegroup": 2
},
{
"id": "mp-1196770",
"created_at": "2022-09-04T14:46:12.336837Z",
"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",
"nsites": 94,
"nelements": 7,
"elements": [
"Rb",
"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,
"energy_per_atom": -6.487871701170213,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -587.00193991,
"band_gap": 0.6684,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0612983,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.379000Z",
"spacegroup": 64
},
{
"id": "mp-556621",
"created_at": "2022-09-04T14:40:33.508983Z",
"structure_string": "Rb1 Bi1 As6 H24 C8 S12 N2\n1.0\n9.987413 -5.022015 0.000000\n9.987413 5.022015 0.000000\n7.462171 0.000000 8.323765\nRb Bi As H C S N\n1 1 6 24 8 12 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.578209 0.195047 0.307424 As\n0.421791 0.804953 0.692576 As\n0.195047 0.307424 0.578209 As\n0.804953 0.692576 0.421791 As\n0.692576 0.421791 0.804953 As\n0.307424 0.578209 0.195047 As\n0.868788 0.988497 0.579020 H\n0.715272 0.668665 0.053888 H\n0.743957 0.832148 0.016591 H\n0.011503 0.420980 0.131212 H\n0.946112 0.284728 0.331335 H\n0.284728 0.331335 0.946112 H\n0.832194 0.768739 0.630023 H\n0.832148 0.016591 0.743957 H\n0.988497 0.579020 0.868788 H\n0.167806 0.231261 0.369977 H\n0.983409 0.256043 0.167852 H\n0.579020 0.868788 0.988497 H\n0.331335 0.946112 0.284728 H\n0.231261 0.369977 0.167806 H\n0.053888 0.715272 0.668665 H\n0.768739 0.630023 0.832194 H\n0.668665 0.053888 0.715272 H\n0.420980 0.131212 0.011503 H\n0.369977 0.167806 0.231261 H\n0.131212 0.011503 0.420980 H\n0.167852 0.983409 0.256043 H\n0.630023 0.832194 0.768739 H\n0.016591 0.743957 0.832148 H\n0.256043 0.167852 0.983409 H\n0.296012 0.205651 0.020388 C\n0.020388 0.296012 0.205651 C\n0.979612 0.703988 0.794349 C\n0.755878 0.755878 0.755878 C\n0.205651 0.020388 0.296012 C\n0.244122 0.244122 0.244122 C\n0.703988 0.794349 0.979612 C\n0.794349 0.979612 0.703988 C\n0.456328 0.173164 0.575283 S\n0.173164 0.575283 0.456328 S\n0.826836 0.424717 0.543672 S\n0.705894 0.169900 0.948817 S\n0.830100 0.051183 0.294106 S\n0.169900 0.948817 0.705894 S\n0.948817 0.705894 0.169900 S\n0.051183 0.294106 0.830100 S\n0.575283 0.456328 0.173164 S\n0.294106 0.830100 0.051183 S\n0.543672 0.826836 0.424717 S\n0.424717 0.543672 0.826836 S\n0.191658 0.191658 0.191658 N\n0.808342 0.808342 0.808342 N\n",
"nsites": 54,
"nelements": 7,
"elements": [
"Rb",
"Bi",
"As",
"H",
"C",
"S",
"N"
],
"chemical_system": "As-Bi-C-H-N-Rb-S",
"density": 2.539658253233232,
"density_atomic": 0.06467150070157038,
"volume": 834.9891283516906,
"volume_molar": 9.311892711117755,
"formula_full": "Rb1 Bi1 As6 H24 C8 S12 N2",
"formula_reduced": "RbBiAs6H24C8(S6N)2",
"formula_anonymous": "ABC2D6E8F12G24",
"energy": -271.97819306,
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"energy_uncorrected": -265.22019306,
"band_gap": 1.9193,
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"updated_at": "2021-11-28T01:34:59.731000Z",
"spacegroup": 148
},
{
"id": "mp-1197717",
"created_at": "2022-09-04T14:41:11.946301Z",
"structure_string": "Pr2 H16 C4 S4 I6 N8 O18\n1.0\n0.000000 8.085241 0.000000\n-8.160095 4.042620 -5.806044\n-9.139150 4.042620 7.177652\nPr H C S I N O\n2 16 4 4 6 8 18\ndirect\n0.615247 0.250000 0.750000 Pr\n0.384753 0.750000 0.250000 Pr\n0.135820 0.735271 0.758195 H\n0.629286 0.764729 0.741805 H\n0.864180 0.264729 0.241805 H\n0.370714 0.235271 0.258195 H\n0.046501 0.905670 0.771641 H\n0.723812 0.594330 0.728359 H\n0.953499 0.094330 0.228359 H\n0.276188 0.405670 0.271641 H\n0.941736 0.574793 0.904877 H\n0.421407 0.925207 0.595123 H\n0.058264 0.425207 0.095123 H\n0.578593 0.074793 0.404877 H\n0.768473 0.641382 0.019986 H\n0.429840 0.858618 0.480014 H\n0.231527 0.358618 0.980014 H\n0.570160 0.141382 0.519986 H\n0.920450 0.771122 0.900012 C\n0.591583 0.728878 0.599988 C\n0.079550 0.228878 0.099988 C\n0.408417 0.271122 0.400012 C\n0.775455 0.906533 0.981372 S\n0.663359 0.593467 0.518628 S\n0.224545 0.093467 0.018628 S\n0.336641 0.406533 0.481372 S\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.612487 0.970584 0.238680 I\n0.821751 0.529416 0.261320 I\n0.387513 0.029416 0.761320 I\n0.178249 0.470584 0.738680 I\n0.053131 0.802349 0.807954 N\n0.663434 0.697651 0.692046 N\n0.946869 0.197651 0.192046 N\n0.336566 0.302349 0.307954 N\n0.876849 0.654265 0.944478 N\n0.475593 0.845735 0.555522 N\n0.123151 0.345735 0.055522 N\n0.524407 0.154265 0.444478 N\n0.281184 0.250000 0.750000 O\n0.718816 0.750000 0.250000 O\n0.932485 0.131021 0.600997 O\n0.664503 0.368979 0.899003 O\n0.067515 0.868979 0.399003 O\n0.335497 0.631021 0.100997 O\n0.785531 0.035651 0.874540 O\n0.695722 0.464349 0.625460 O\n0.214469 0.964349 0.125460 O\n0.304278 0.535651 0.374540 O\n0.514132 0.365198 0.517195 O\n0.396525 0.134802 0.982805 O\n0.485868 0.634802 0.482805 O\n0.603475 0.865198 0.017195 O\n0.620403 0.063177 0.668427 O\n0.352007 0.436823 0.831573 O\n0.379597 0.936823 0.331573 O\n0.647993 0.563177 0.168427 O\n",
"nsites": 58,
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"elements": [
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"I",
"N",
"O"
],
"chemical_system": "C-H-I-N-O-Pr-S",
"density": 3.009348932432343,
"density_atomic": 0.06426046596613917,
"volume": 902.5767107036229,
"volume_molar": 9.371455169922442,
"formula_full": "Pr2 H16 C4 S4 I6 N8 O18",
"formula_reduced": "PrH8C2S2I3N4O9",
"formula_anonymous": "AB2C2D3E4F8G9",
"energy": -325.34608391,
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"band_gap": 0.4975,
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"total_magnetization": 3.9924438,
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"updated_at": "2021-11-28T01:35:17.223000Z",
"spacegroup": 15
},
{
"id": "mp-1202301",
"created_at": "2022-09-04T14:40:07.413009Z",
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"nsites": 144,
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"elements": [
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],
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"density": 1.983930225415507,
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"volume_molar": 7.867426398360569,
"formula_full": "P4 H72 Pt4 C24 S12 Cl4 F24",
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"updated_at": "2021-11-28T01:34:54.124000Z",
"spacegroup": 14
},
{
"id": "mp-1204443",
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"structure_string": "P4 H72 Pt4 C24 S12 Br4 F24\n1.0\n25.031113 0.000000 0.000000\n0.000000 8.721959 0.000000\n0.000000 2.224818 8.687962\nP H Pt C S Br F\n4 72 4 24 12 4 24\ndirect\n0.337055 0.993735 0.027913 P\n0.837055 0.506265 0.972087 P\n0.662945 0.006265 0.972087 P\n0.162945 0.493735 0.027913 P\n0.487087 0.044540 0.669745 H\n0.987087 0.455460 0.330255 H\n0.512913 0.955460 0.330255 H\n0.012913 0.544540 0.669745 H\n0.526307 0.062976 0.832114 H\n0.026307 0.437024 0.167886 H\n0.473693 0.937024 0.167886 H\n0.973693 0.562976 0.832114 H\n0.453906 0.060870 0.843796 H\n0.953906 0.439130 0.156204 H\n0.546094 0.939130 0.156204 H\n0.046094 0.560870 0.843796 H\n0.423555 0.784944 0.559925 H\n0.923555 0.715056 0.440075 H\n0.576445 0.215056 0.440075 H\n0.076445 0.284944 0.559925 H\n0.355027 0.755360 0.513805 H\n0.855027 0.744640 0.486195 H\n0.644973 0.244640 0.486195 H\n0.144973 0.255360 0.513805 H\n0.371087 0.821986 0.683746 H\n0.871087 0.678014 0.316254 H\n0.628913 0.178014 0.316254 H\n0.128913 0.321986 0.683746 H\n0.504552 0.490937 0.848316 H\n0.004552 0.009063 0.151684 H\n0.495448 0.509063 0.151684 H\n0.995448 0.990937 0.848316 H\n0.464574 0.324690 0.950256 H\n0.964574 0.175310 0.049744 H\n0.535426 0.675310 0.049744 H\n0.035426 0.824690 0.950256 H\n0.535492 0.302483 0.926771 H\n0.035492 0.197517 0.073229 H\n0.464508 0.697517 0.073229 H\n0.964508 0.802483 0.926771 H\n0.319883 0.398534 0.871905 H\n0.819883 0.101466 0.128095 H\n0.680117 0.601466 0.128095 H\n0.180117 0.898534 0.871905 H\n0.312933 0.608179 0.853545 H\n0.812933 0.891821 0.146455 H\n0.687067 0.391821 0.146455 H\n0.187067 0.108179 0.853545 H\n0.294416 0.525522 0.696548 H\n0.794416 0.974478 0.303452 H\n0.705584 0.474478 0.303452 H\n0.205584 0.025522 0.696548 H\n0.360289 0.605074 0.191548 H\n0.860289 0.894926 0.808452 H\n0.639711 0.394926 0.808452 H\n0.139711 0.105074 0.191548 H\n0.364645 0.396223 0.197737 H\n0.864645 0.103777 0.802263 H\n0.635355 0.603777 0.802263 H\n0.135355 0.896223 0.197737 H\n0.300547 0.494636 0.181028 H\n0.800547 0.005364 0.818972 H\n0.699453 0.505364 0.818972 H\n0.199453 0.994636 0.181028 H\n0.289212 0.217047 0.586607 H\n0.789212 0.282953 0.413393 H\n0.710788 0.782953 0.413393 H\n0.210788 0.717047 0.586607 H\n0.261390 0.282365 0.394269 H\n0.761390 0.217635 0.605731 H\n0.738610 0.717635 0.605731 H\n0.238610 0.782365 0.394269 H\n0.323200 0.173242 0.424964 H\n0.823200 0.326758 0.575036 H\n0.676800 0.826758 0.575036 H\n0.176800 0.673242 0.424964 H\n0.412096 0.386853 0.567909 Pt\n0.912096 0.113147 0.432091 Pt\n0.587904 0.613147 0.432091 Pt\n0.087904 0.886853 0.567909 Pt\n0.488870 0.095928 0.769265 C\n0.988870 0.404072 0.230735 C\n0.511130 0.904072 0.230735 C\n0.011130 0.595928 0.769265 C\n0.383917 0.748241 0.607399 C\n0.883917 0.751759 0.392601 C\n0.616083 0.251759 0.392601 C\n0.116083 0.248241 0.607399 C\n0.499063 0.362443 0.874700 C\n0.999063 0.137557 0.125300 C\n0.500937 0.637557 0.125300 C\n0.000937 0.862443 0.874700 C\n0.322093 0.516661 0.792936 C\n0.822093 0.983339 0.207064 C\n0.677907 0.483339 0.207064 C\n0.177907 0.016661 0.792936 C\n0.340946 0.489102 0.228972 C\n0.840946 0.010898 0.771028 C\n0.659054 0.510898 0.771028 C\n0.159054 0.989102 0.228972 C\n0.297966 0.259091 0.463125 C\n0.797966 0.240909 0.536875 C\n0.702034 0.740909 0.536875 C\n0.202034 0.759091 0.463125 C\n0.492336 0.308077 0.694383 S\n0.992336 0.191923 0.305617 S\n0.507664 0.691923 0.305617 S\n0.007664 0.808077 0.694383 S\n0.390153 0.548678 0.726326 S\n0.890153 0.951322 0.273674 S\n0.609847 0.451322 0.273674 S\n0.109847 0.048678 0.726326 S\n0.332348 0.446266 0.434794 S\n0.832348 0.053734 0.565206 S\n0.667652 0.553734 0.565206 S\n0.167652 0.946266 0.434794 S\n0.442838 0.225785 0.392666 Br\n0.942838 0.274215 0.607334 Br\n0.557162 0.774215 0.607334 Br\n0.057162 0.725785 0.392666 Br\n0.384673 0.126004 0.020433 F\n0.884673 0.373996 0.979567 F\n0.615327 0.873996 0.979567 F\n0.115327 0.626004 0.020433 F\n0.381541 0.874074 0.978830 F\n0.881541 0.625926 0.021170 F\n0.618459 0.125926 0.021170 F\n0.118459 0.374074 0.978830 F\n0.290548 0.861531 0.033697 F\n0.790548 0.638469 0.966303 F\n0.709452 0.138469 0.966303 F\n0.209452 0.361531 0.033697 F\n0.293845 0.113181 0.076500 F\n0.793845 0.386819 0.923500 F\n0.706155 0.886819 0.923500 F\n0.206155 0.613181 0.076500 F\n0.324138 0.070593 0.844328 F\n0.824138 0.429407 0.155672 F\n0.675862 0.929407 0.155672 F\n0.175862 0.570593 0.844328 F\n0.350959 0.916011 0.210274 F\n0.850959 0.583989 0.789726 F\n0.649041 0.083989 0.789726 F\n0.149041 0.416011 0.210274 F\n",
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"elements": [
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],
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"density": 2.1233590478228126,
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"formula_full": "P4 H72 Pt4 C24 S12 Br4 F24",
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"updated_at": "2021-11-28T01:36:23.179000Z",
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},
{
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H\n0.896495 0.307881 0.451377 H\n0.603505 0.307881 0.951377 H\n0.103505 0.692119 0.548623 H\n0.459149 0.834930 0.077621 H\n0.959149 0.165070 0.422379 H\n0.540851 0.165070 0.922379 H\n0.040851 0.834930 0.577621 H\n0.582907 0.730217 0.047276 H\n0.082907 0.269784 0.452724 H\n0.417093 0.269784 0.952724 H\n0.917093 0.730217 0.547276 H\n0.633060 0.474396 0.156447 H\n0.133060 0.525604 0.343553 H\n0.366940 0.525604 0.843553 H\n0.866940 0.474396 0.656447 H\n0.576757 0.461196 0.089407 H\n0.076757 0.538804 0.410593 H\n0.423243 0.538804 0.910593 H\n0.923243 0.461196 0.589407 H\n0.726367 0.557814 0.107348 H\n0.226367 0.442186 0.392652 H\n0.273633 0.442186 0.892652 H\n0.773633 0.557814 0.607348 H\n0.851524 0.146951 0.028083 H\n0.351524 0.853049 0.471917 H\n0.148476 0.853049 0.971917 H\n0.648476 0.146951 0.528083 H\n0.875760 0.017902 0.071951 H\n0.375760 0.982098 0.428049 H\n0.124240 0.982098 0.928049 H\n0.624240 0.017902 0.571951 H\n0.178524 0.766218 0.187090 Pt\n0.678524 0.233782 0.312910 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{
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{
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{
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"structure_string": "Na8 Zr4 Ti2 Mn2 Si8 O32 F4\n1.0\n7.192017 0.000000 0.000000\n0.000000 5.663980 0.000000\n0.000000 4.145941 18.265541\nNa Zr Ti Mn Si O F\n8 4 2 2 8 32 4\ndirect\n0.653396 0.000000 0.750000 Na\n0.346604 0.000000 0.250000 Na\n0.886366 0.703165 0.929057 Na\n0.113634 0.296835 0.070943 Na\n0.886366 0.296835 0.570943 Na\n0.113634 0.703165 0.429057 Na\n0.889497 0.500000 0.750000 Na\n0.110503 0.500000 0.250000 Na\n0.378419 0.697347 0.924728 Zr\n0.621581 0.302653 0.075272 Zr\n0.378419 0.302653 0.575272 Zr\n0.621581 0.697347 0.424728 Zr\n0.392473 0.500000 0.750000 Ti\n0.607527 0.500000 0.250000 Ti\n0.152877 0.000000 0.750000 Mn\n0.847123 0.000000 0.250000 Mn\n0.658469 0.778934 0.604396 Si\n0.341531 0.221066 0.395604 Si\n0.658469 0.221066 0.895604 Si\n0.341531 0.778934 0.104396 Si\n0.886224 0.778343 0.105327 Si\n0.113776 0.221657 0.894673 Si\n0.886224 0.221657 0.394673 Si\n0.113776 0.778343 0.605327 Si\n0.593155 0.597713 0.550986 O\n0.406845 0.402287 0.449014 O\n0.593155 0.402287 0.949014 O\n0.406845 0.597713 0.050986 O\n0.173939 0.943433 0.932717 O\n0.826061 0.056567 0.067283 O\n0.173939 0.056567 0.567283 O\n0.826061 0.943433 0.432717 O\n0.595437 0.940818 0.922734 O\n0.404563 0.059182 0.077266 O\n0.595437 0.059182 0.577266 O\n0.404563 0.940818 0.422734 O\n0.824080 0.580417 0.058823 O\n0.175920 0.419583 0.941177 O\n0.824080 0.419583 0.441177 O\n0.175920 0.580417 0.558823 O\n0.372317 0.731433 0.814135 O\n0.627683 0.268567 0.185865 O\n0.372317 0.268567 0.685865 O\n0.627683 0.731433 0.314135 O\n0.885420 0.764491 0.610390 O\n0.114580 0.235509 0.389610 O\n0.885420 0.235509 0.889610 O\n0.114580 0.764491 0.110390 O\n0.584575 0.676395 0.688474 O\n0.415425 0.323605 0.311526 O\n0.584575 0.323605 0.811526 O\n0.415425 0.676395 0.188474 O\n0.810308 0.712900 0.190390 O\n0.189692 0.287100 0.809610 O\n0.810308 0.287100 0.309610 O\n0.189692 0.712900 0.690390 O\n0.920971 0.804045 0.807100 F\n0.079029 0.195955 0.192900 F\n0.920971 0.195955 0.692900 F\n0.079029 0.804045 0.307100 F\n",
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}
]
}