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{
"id": "mp-772852",
"created_at": "2022-09-04T14:44:20.158708Z",
"structure_string": "Na12 Zn16 P16 H16 N4 O64\n1.0\n8.323088 0.000000 0.000000\n0.000000 10.490973 0.000000\n0.000000 0.000000 17.586826\nNa Zn P H N O\n12 16 16 16 4 64\ndirect\n0.000000 0.027648 0.250000 Na\n0.000000 0.972352 0.750000 Na\n0.012359 0.683857 0.496171 Na\n0.012359 0.316143 0.996171 Na\n0.487641 0.183857 0.496171 Na\n0.487641 0.816143 0.996171 Na\n0.500000 0.527648 0.250000 Na\n0.500000 0.472352 0.750000 Na\n0.512359 0.183857 0.003829 Na\n0.512359 0.816143 0.503829 Na\n0.987641 0.316143 0.503829 Na\n0.987641 0.683857 0.003829 Na\n0.173406 0.050641 0.425660 Zn\n0.173406 0.949359 0.925660 Zn\n0.196294 0.320250 0.162394 Zn\n0.196294 0.679750 0.662394 Zn\n0.303706 0.820250 0.162394 Zn\n0.303706 0.179750 0.662394 Zn\n0.326594 0.550641 0.425660 Zn\n0.326594 0.449359 0.925660 Zn\n0.673406 0.550641 0.074340 Zn\n0.673406 0.449359 0.574340 Zn\n0.696294 0.179750 0.837606 Zn\n0.696294 0.820250 0.337606 Zn\n0.803706 0.320250 0.337606 Zn\n0.803706 0.679750 0.837606 Zn\n0.826594 0.050641 0.074340 Zn\n0.826594 0.949359 0.574340 Zn\n0.205055 0.313890 0.342777 P\n0.205055 0.686110 0.842777 P\n0.211174 0.068946 0.080040 P\n0.211174 0.931054 0.580040 P\n0.288826 0.568946 0.080040 P\n0.288826 0.431054 0.580040 P\n0.294945 0.186110 0.842777 P\n0.294945 0.813890 0.342777 P\n0.705055 0.186110 0.657223 P\n0.705055 0.813890 0.157223 P\n0.711174 0.431054 0.919960 P\n0.711174 0.568946 0.419960 P\n0.788826 0.068946 0.419960 P\n0.788826 0.931054 0.919960 P\n0.794945 0.313890 0.157223 P\n0.794945 0.686110 0.657223 P\n0.024338 0.525586 0.296365 H\n0.024338 0.474414 0.796365 H\n0.100503 0.639588 0.239581 H\n0.100503 0.360412 0.739581 H\n0.399497 0.139588 0.239581 H\n0.399497 0.860412 0.739581 H\n0.475662 0.025586 0.296365 H\n0.475662 0.974414 0.796365 H\n0.524338 0.025586 0.203635 H\n0.524338 0.974414 0.703635 H\n0.600503 0.139588 0.260419 H\n0.600503 0.860412 0.760419 H\n0.899497 0.639588 0.260419 H\n0.899497 0.360412 0.760419 H\n0.975662 0.474414 0.703635 H\n0.975662 0.525586 0.203635 H\n0.000000 0.583094 0.250000 N\n0.000000 0.416906 0.750000 N\n0.500000 0.083094 0.250000 N\n0.500000 0.916906 0.750000 N\n0.031347 0.360802 0.361805 O\n0.031347 0.639198 0.861805 O\n0.043679 0.109740 0.050502 O\n0.043679 0.890260 0.550502 O\n0.186529 0.065192 0.838340 O\n0.186529 0.934808 0.338340 O\n0.191766 0.692359 0.098644 O\n0.191766 0.307641 0.598644 O\n0.194820 0.014208 0.652889 O\n0.194820 0.985792 0.152889 O\n0.196461 0.495712 0.016369 O\n0.196461 0.504288 0.516369 O\n0.208636 0.242964 0.264666 O\n0.208636 0.757036 0.764666 O\n0.231225 0.722441 0.405021 O\n0.231225 0.277559 0.905021 O\n0.268775 0.222441 0.405021 O\n0.268775 0.777559 0.905021 O\n0.291364 0.257036 0.764666 O\n0.291364 0.742964 0.264666 O\n0.303539 0.004288 0.516369 O\n0.303539 0.995712 0.016369 O\n0.305180 0.485792 0.152889 O\n0.305180 0.514208 0.652889 O\n0.308234 0.192359 0.098644 O\n0.308234 0.807641 0.598644 O\n0.313471 0.434808 0.338340 O\n0.313471 0.565192 0.838340 O\n0.456321 0.609740 0.050502 O\n0.456321 0.390260 0.550502 O\n0.468653 0.139198 0.861805 O\n0.468653 0.860802 0.361805 O\n0.531347 0.139198 0.638195 O\n0.531347 0.860802 0.138195 O\n0.543679 0.390260 0.949498 O\n0.543679 0.609740 0.449498 O\n0.686529 0.434808 0.161660 O\n0.686529 0.565192 0.661660 O\n0.691766 0.192359 0.401356 O\n0.691766 0.807641 0.901356 O\n0.694820 0.485792 0.347111 O\n0.694820 0.514208 0.847111 O\n0.696461 0.004288 0.983631 O\n0.696461 0.995712 0.483631 O\n0.708636 0.257036 0.735334 O\n0.708636 0.742964 0.235334 O\n0.731225 0.222441 0.094979 O\n0.731225 0.777559 0.594979 O\n0.768775 0.277559 0.594979 O\n0.768775 0.722441 0.094979 O\n0.791364 0.242964 0.235334 O\n0.791364 0.757036 0.735334 O\n0.803539 0.495712 0.483631 O\n0.803539 0.504288 0.983631 O\n0.805180 0.014208 0.847111 O\n0.805180 0.985792 0.347111 O\n0.808234 0.692359 0.401356 O\n0.808234 0.307641 0.901356 O\n0.813471 0.065192 0.661660 O\n0.813471 0.934808 0.161660 O\n0.956321 0.109740 0.449498 O\n0.956321 0.890260 0.949498 O\n0.968653 0.639198 0.638195 O\n0.968653 0.360802 0.138195 O\n",
"nsites": 128,
"nelements": 6,
"elements": [
"Na",
"Zn",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-Na-O-P-Zn",
"density": 3.151144646458369,
"density_atomic": 0.08335319417830815,
"volume": 1535.634012131364,
"volume_molar": 7.224847013202048,
"formula_full": "Na12 Zn16 P16 H16 N4 O64",
"formula_reduced": "Na3Zn4P4H4NO16",
"formula_anonymous": "AB3C4D4E4F16",
"energy": -806.8544067700001,
"energy_per_atom": -6.303550052890626,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -761.44240677,
"band_gap": 3.8467,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001421,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.811000Z",
"spacegroup": 60
},
{
"id": "mp-1203956",
"created_at": "2022-09-04T14:42:17.974894Z",
"structure_string": "Mn4 Sn4 H64 C24 S12 O44\n1.0\n10.052437 0.000000 0.000000\n0.000000 10.836910 0.000000\n-1.789229 0.000000 16.087479\nMn Sn H C S O\n4 4 64 24 12 44\ndirect\n0.899311 0.727938 0.801637 Mn\n0.100689 0.227938 0.698363 Mn\n0.100689 0.272062 0.198363 Mn\n0.899311 0.772062 0.301637 Mn\n0.314248 0.748453 0.582334 Sn\n0.685752 0.248453 0.917666 Sn\n0.685752 0.251547 0.417666 Sn\n0.314248 0.751547 0.082334 Sn\n0.807626 0.974449 0.822641 H\n0.192374 0.474449 0.677359 H\n0.192374 0.025551 0.177359 H\n0.807626 0.525551 0.322641 H\n0.964518 0.963252 0.850606 H\n0.035482 0.463252 0.649394 H\n0.035482 0.036748 0.149394 H\n0.964518 0.536748 0.350606 H\n0.009734 0.772095 0.962369 H\n0.990266 0.272095 0.537631 H\n0.990266 0.227905 0.037631 H\n0.009734 0.727905 0.462369 H\n0.901773 0.666876 0.976961 H\n0.098227 0.166876 0.523039 H\n0.098227 0.333124 0.023039 H\n0.901773 0.833124 0.476961 H\n0.645422 0.668923 0.861064 H\n0.354578 0.168923 0.638936 H\n0.354578 0.331077 0.138936 H\n0.645422 0.831077 0.361064 H\n0.611950 0.729395 0.772601 H\n0.388050 0.229395 0.727399 H\n0.388050 0.270605 0.227399 H\n0.611950 0.770605 0.272601 H\n0.016863 0.494608 0.780903 H\n0.983137 0.994608 0.719097 H\n0.983137 0.505392 0.219097 H\n0.016863 0.005392 0.280903 H\n0.944649 0.487646 0.863788 H\n0.055351 0.987646 0.636212 H\n0.055351 0.512354 0.136212 H\n0.944649 0.012354 0.363788 H\n0.856183 0.656091 0.632919 H\n0.143817 0.156091 0.867081 H\n0.143817 0.343909 0.367081 H\n0.856183 0.843909 0.132919 H\n0.829984 0.800850 0.629803 H\n0.170016 0.300850 0.870197 H\n0.170016 0.199150 0.370197 H\n0.829984 0.699150 0.129803 H\n0.389938 0.005445 0.405912 H\n0.610062 0.505445 0.094088 H\n0.610062 0.994555 0.594088 H\n0.389938 0.494555 0.905912 H\n0.283503 0.948074 0.776814 H\n0.716497 0.448074 0.723186 H\n0.716497 0.051926 0.223186 H\n0.283503 0.551926 0.276814 H\n0.354191 0.817262 0.831081 H\n0.645809 0.317262 0.668919 H\n0.645809 0.182738 0.168919 H\n0.354191 0.682738 0.331081 H\n0.267637 0.376039 0.520473 H\n0.732363 0.876039 0.979527 H\n0.732363 0.623961 0.479527 H\n0.267637 0.123961 0.020473 H\n0.373324 0.470191 0.465647 H\n0.626676 0.970191 0.034353 H\n0.626676 0.529809 0.534353 H\n0.373324 0.029809 0.965647 H\n0.274435 0.889456 0.366309 H\n0.725565 0.389456 0.133691 H\n0.725565 0.110544 0.633691 H\n0.274435 0.610544 0.866309 H\n0.314855 0.851842 0.769311 C\n0.685145 0.351842 0.730689 C\n0.685145 0.148158 0.230689 C\n0.314855 0.648158 0.269311 C\n0.186975 0.781297 0.741025 C\n0.813025 0.281297 0.758975 C\n0.813025 0.218703 0.258975 C\n0.186975 0.718703 0.241025 C\n0.299366 0.471479 0.511125 C\n0.700634 0.971479 0.988875 C\n0.700634 0.528521 0.488875 C\n0.299366 0.028521 0.011125 C\n0.177015 0.541814 0.472001 C\n0.822985 0.041814 0.027999 C\n0.822985 0.458186 0.527999 C\n0.177015 0.958186 0.972001 C\n0.330822 0.926226 0.423128 C\n0.669178 0.426226 0.076872 C\n0.669178 0.073774 0.576872 C\n0.330822 0.573774 0.923128 C\n0.225870 0.974484 0.476021 C\n0.774130 0.474484 0.023979 C\n0.774130 0.025516 0.523979 C\n0.225870 0.525516 0.976021 C\n0.447995 0.848730 0.701917 S\n0.552005 0.348730 0.798083 S\n0.552005 0.151270 0.298083 S\n0.447995 0.651270 0.201917 S\n0.377987 0.529525 0.610164 S\n0.622013 0.029525 0.889836 S\n0.622013 0.470475 0.389836 S\n0.377987 0.970475 0.110164 S\n0.447551 0.809978 0.468437 S\n0.552449 0.309978 0.031563 S\n0.552449 0.190022 0.531563 S\n0.447551 0.690022 0.968437 S\n0.160572 0.742436 0.665822 O\n0.839428 0.242436 0.834178 O\n0.839428 0.257564 0.334178 O\n0.160572 0.757564 0.165822 O\n0.108187 0.765462 0.795387 O\n0.891813 0.265462 0.704613 O\n0.891813 0.234538 0.204613 O\n0.108187 0.734538 0.295387 O\n0.155872 0.653046 0.496662 O\n0.844128 0.153046 0.003338 O\n0.844128 0.346954 0.503338 O\n0.155872 0.846954 0.996662 O\n0.102217 0.488127 0.415771 O\n0.897783 0.988127 0.084229 O\n0.897783 0.511873 0.584229 O\n0.102217 0.011873 0.915771 O\n0.198789 0.914435 0.541117 O\n0.801211 0.414435 0.958883 O\n0.801211 0.085565 0.458883 O\n0.198789 0.585565 0.041117 O\n0.165367 0.072296 0.452391 O\n0.834633 0.572296 0.047609 O\n0.834633 0.927704 0.547609 O\n0.165367 0.427704 0.952391 O\n0.891471 0.937313 0.806539 O\n0.108529 0.437313 0.693461 O\n0.108529 0.062687 0.193461 O\n0.891471 0.562687 0.306539 O\n0.925064 0.732654 0.937951 O\n0.074936 0.232654 0.562049 O\n0.074936 0.267346 0.062049 O\n0.925064 0.767346 0.437951 O\n0.684752 0.691718 0.810772 O\n0.315248 0.191718 0.689228 O\n0.315248 0.308282 0.189228 O\n0.684752 0.808282 0.310772 O\n0.942901 0.527989 0.809597 O\n0.057099 0.027989 0.690403 O\n0.057099 0.472011 0.190403 O\n0.942901 0.972011 0.309597 O\n0.831529 0.727881 0.666315 O\n0.168471 0.227881 0.833685 O\n0.168471 0.272119 0.333685 O\n0.831529 0.772119 0.166315 O\n",
"nsites": 152,
"nelements": 6,
"elements": [
"Mn",
"Sn",
"H",
"C",
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"O"
],
"chemical_system": "C-H-Mn-O-S-Sn",
"density": 2.0239885040995644,
"density_atomic": 0.08673188161692781,
"volume": 1752.5274116771097,
"volume_molar": 6.943399183472383,
"formula_full": "Mn4 Sn4 H64 C24 S12 O44",
"formula_reduced": "MnSnH16C6S3O11",
"formula_anonymous": "ABC3D6E11F16",
"energy": -917.25923379,
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"updated_at": "2021-11-28T01:35:33.549000Z",
"spacegroup": 14
},
{
"id": "mp-24280",
"created_at": "2022-09-04T14:42:18.251583Z",
"structure_string": "Ga1 H36 C12 S6 I3 O6\n1.0\n8.695983 -5.543966 0.000000\n8.695983 5.543966 0.000000\n5.161529 0.000000 8.928287\nGa H C S I O\n1 36 12 6 3 6\ndirect\n0.000000 0.000000 0.000000 Ga\n0.773461 0.444477 0.243321 H\n0.444477 0.243321 0.773461 H\n0.243321 0.773461 0.444477 H\n0.226539 0.555523 0.756679 H\n0.555523 0.756679 0.226539 H\n0.756679 0.226539 0.555523 H\n0.968430 0.349733 0.168857 H\n0.349733 0.168857 0.968430 H\n0.168857 0.968430 0.349733 H\n0.031570 0.650267 0.831143 H\n0.650267 0.831143 0.031570 H\n0.831143 0.031570 0.650267 H\n0.858402 0.487336 0.041750 H\n0.487336 0.041750 0.858402 H\n0.041750 0.858402 0.487336 H\n0.707262 0.898811 0.414354 H\n0.141598 0.512664 0.958250 H\n0.958250 0.141598 0.512664 H\n0.585646 0.292738 0.101189 H\n0.292738 0.101189 0.585646 H\n0.101189 0.585646 0.292738 H\n0.414354 0.707262 0.898811 H\n0.998254 0.343769 0.544675 H\n0.544675 0.998254 0.343769 H\n0.343769 0.544675 0.998254 H\n0.001746 0.656231 0.455325 H\n0.455325 0.001746 0.656231 H\n0.656231 0.455325 0.001746 H\n0.799637 0.443578 0.585358 H\n0.585358 0.799637 0.443578 H\n0.443578 0.585358 0.799637 H\n0.200363 0.556422 0.414642 H\n0.414642 0.200363 0.556422 H\n0.556422 0.414642 0.200363 H\n0.898811 0.414354 0.707262 H\n0.512664 0.958250 0.141598 H\n0.632671 0.366638 0.107783 C\n0.366638 0.107783 0.632671 C\n0.107783 0.632671 0.366638 C\n0.367329 0.633362 0.892217 C\n0.849811 0.142384 0.599800 C\n0.599800 0.849811 0.142384 C\n0.142384 0.599800 0.849811 C\n0.150189 0.857616 0.400200 C\n0.892217 0.367329 0.633362 C\n0.857616 0.400200 0.150189 C\n0.633362 0.892217 0.367329 C\n0.400200 0.150189 0.857616 C\n0.803470 0.254724 0.154839 S\n0.254724 0.154839 0.803470 S\n0.154839 0.803470 0.254724 S\n0.196530 0.745276 0.845161 S\n0.745276 0.845161 0.196530 S\n0.845161 0.196530 0.745276 S\n0.500000 0.500000 0.500000 I\n0.751648 0.751648 0.751648 I\n0.248353 0.248353 0.248353 I\n0.916166 0.210875 0.010438 O\n0.210875 0.010438 0.916166 O\n0.989562 0.083834 0.789125 O\n0.083834 0.789125 0.989562 O\n0.789125 0.989562 0.083834 O\n0.010438 0.916166 0.210875 O\n",
"nsites": 64,
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"elements": [
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"C",
"S",
"I",
"O"
],
"chemical_system": "C-Ga-H-I-O-S",
"density": 1.7731245367714992,
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"volume": 860.8696125600155,
"volume_molar": 8.100434348192309,
"formula_full": "Ga1 H36 C12 S6 I3 O6",
"formula_reduced": "GaH36C12S6(IO2)3",
"formula_anonymous": "AB3C6D6E12F36",
"energy": -320.30710731,
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"energy_uncorrected": -315.04810731,
"band_gap": 3.0307,
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"updated_at": "2021-11-28T01:35:32.951000Z",
"spacegroup": 148
},
{
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"structure_string": "Sr4 Re8 H32 C6 N12 O42\n1.0\n9.844026 17.389125 0.023732\n-0.009823 17.399954 3.918063\n9.860987 -0.004209 3.912294\nSr Re H C N O\n4 8 32 6 12 42\ndirect\n0.255627 0.735875 0.541729 Sr\n0.466479 0.541733 0.734147 Sr\n0.707362 0.785339 0.995375 Sr\n0.512956 0.995193 0.785083 Sr\n0.674848 0.276717 0.959519 Re\n0.087591 0.958436 0.277602 Re\n0.288112 0.164143 0.575830 Re\n0.972054 0.574367 0.165749 Re\n0.067150 0.747590 0.455181 Re\n0.732512 0.453596 0.744597 Re\n0.796351 0.518943 0.183059 Re\n0.502827 0.183940 0.518151 Re\n0.921125 0.014345 0.096544 H\n0.966854 0.099925 0.014908 H\n0.153421 0.282411 0.332199 H\n0.233827 0.331196 0.284810 H\n0.703348 0.180745 0.318358 H\n0.797824 0.319504 0.183335 H\n0.930207 0.453132 0.545402 H\n0.069672 0.546897 0.456069 H\n0.033608 0.726740 0.120671 H\n0.121956 0.117845 0.719635 H\n0.128246 0.133670 0.212749 H\n0.523061 0.216745 0.133432 H\n0.135932 0.716508 0.086662 H\n0.059766 0.087227 0.715187 H\n0.164462 0.190861 0.113449 H\n0.533932 0.113123 0.188248 H\n0.958471 0.778313 0.971067 H\n0.296832 0.967597 0.770948 H\n0.279708 0.957237 0.291564 H\n0.476428 0.288839 0.954550 H\n0.024167 0.784809 0.800510 H\n0.389787 0.801982 0.783085 H\n0.455072 0.854262 0.218652 H\n0.473190 0.220293 0.853396 H\n0.470759 0.659066 0.215721 H\n0.651288 0.217970 0.658085 H\n0.032596 0.599714 0.780775 H\n0.593278 0.776685 0.594774 H\n0.497363 0.660717 0.331251 H\n0.503481 0.337944 0.665315 H\n0.914270 0.745026 0.757786 H\n0.581534 0.758505 0.745602 H\n0.725067 0.275374 0.273822 C\n0.973745 0.526142 0.527510 C\n0.102101 0.739492 0.919860 C\n0.235806 0.922713 0.739936 C\n0.329066 0.012871 0.148582 C\n0.508968 0.150684 0.013039 C\n0.789262 0.145690 0.225310 N\n0.837713 0.228677 0.146018 N\n0.022875 0.411720 0.463138 N\n0.102985 0.462714 0.413505 N\n0.084714 0.732047 0.056724 N\n0.125786 0.057398 0.729906 N\n0.196377 0.121358 0.159635 N\n0.515433 0.167876 0.126467 N\n0.029284 0.761242 0.889828 N\n0.318058 0.891659 0.760470 N\n0.354776 0.937084 0.226879 N\n0.486601 0.224035 0.933053 N\n0.517450 0.448291 0.191404 O\n0.841613 0.189648 0.443919 O\n0.056417 0.409915 0.731985 O\n0.802116 0.731063 0.411318 O\n0.606509 0.377913 0.859525 O\n0.146024 0.867512 0.387132 O\n0.384262 0.101082 0.647692 O\n0.865752 0.648863 0.103237 O\n0.904488 0.097153 0.822603 O\n0.180946 0.814927 0.096579 O\n0.426816 0.075490 0.345336 O\n0.150990 0.344390 0.077001 O\n0.681518 0.172817 0.957499 O\n0.186779 0.956810 0.175827 O\n0.288256 0.066428 0.572918 O\n0.076267 0.567375 0.065428 O\n0.128332 0.728958 0.553687 O\n0.592561 0.550107 0.725067 O\n0.697800 0.659428 0.121293 O\n0.525872 0.118985 0.655911 O\n0.890647 0.963139 0.506495 O\n0.642724 0.503528 0.959133 O\n0.748831 0.607662 0.355270 O\n0.286850 0.358621 0.611760 O\n0.262162 0.568529 0.211457 O\n0.961827 0.209855 0.564743 O\n0.039958 0.291194 0.986442 O\n0.681174 0.990414 0.289330 O\n0.988893 0.726156 0.546089 O\n0.738821 0.546802 0.726489 O\n0.704869 0.510666 0.264725 O\n0.519370 0.267025 0.510553 O\n0.560498 0.439457 0.437820 O\n0.809427 0.690110 0.691607 O\n0.179537 0.731584 0.827428 O\n0.255675 0.832865 0.736165 O\n0.423249 0.988099 0.069922 O\n0.518057 0.072205 0.988336 O\n0.403453 0.725192 0.345773 O\n0.521540 0.349536 0.727035 O\n0.901165 0.728511 0.850207 O\n0.522383 0.848216 0.725516 O\n",
"nsites": 104,
"nelements": 6,
"elements": [
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"Re",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Re-Sr",
"density": 3.453876150415731,
"density_atomic": 0.07768591790429942,
"volume": 1338.723964465692,
"volume_molar": 7.751907839228496,
"formula_full": "Sr4 Re8 H32 C6 N12 O42",
"formula_reduced": "Sr2Re4H16C3(N2O7)3",
"formula_anonymous": "A2B3C4D6E16F21",
"energy": -738.68916887,
"energy_per_atom": -7.102780469903847,
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"formation_energy": null,
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"energy_uncorrected": -705.50316887,
"band_gap": 3.2845000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 1
},
{
"id": "mp-1234694",
"created_at": "2022-09-04T14:44:28.027829Z",
"structure_string": "Mg1 Co6 Ag2 P6 H4 O24\n1.0\n6.244209 -0.149681 -1.837437\n-2.694858 8.678786 0.239294\n0.154999 0.457285 8.918811\nMg Co Ag P H O\n1 6 2 6 4 24\ndirect\n0.995922 0.035920 0.639736 Mg\n0.253545 0.748601 0.212073 Co\n0.620356 0.556203 0.875226 Co\n0.061690 0.768688 0.477972 Co\n0.401049 0.461976 0.145710 Co\n0.736343 0.082991 0.354743 Co\n0.766631 0.279662 0.779401 Co\n0.179449 0.450578 0.526034 Ag\n0.765312 0.502985 0.481068 Ag\n0.273625 0.209981 0.871546 P\n0.752868 0.816438 0.143364 P\n0.391676 0.184395 0.431676 P\n0.141739 0.634845 0.845173 P\n0.589499 0.788705 0.577118 P\n0.886982 0.390882 0.159910 P\n0.348487 0.141011 0.182023 H\n0.208574 0.880170 0.921468 H\n0.682911 0.863374 0.830374 H\n0.821177 0.145006 0.081391 H\n0.312467 0.546764 0.908623 O\n0.184682 0.770635 0.969392 O\n0.663611 0.911320 0.716993 O\n0.845629 0.255899 0.035968 O\n0.393088 0.348531 0.368698 O\n0.169173 0.723082 0.697128 O\n0.551951 0.623973 0.641904 O\n0.876105 0.312348 0.316167 O\n0.186001 0.101682 0.490541 O\n0.387866 0.085845 0.286113 O\n0.733281 0.781571 0.971076 O\n0.763281 0.986479 0.160552 O\n0.300160 0.243030 0.042840 O\n0.235819 0.036067 0.840752 O\n0.549823 0.706016 0.200016 O\n0.974010 0.786705 0.246407 O\n0.474359 0.312948 0.808664 O\n0.797584 0.849465 0.508501 O\n0.903160 0.520342 0.831059 O\n0.618204 0.191521 0.551657 O\n0.120635 0.508708 0.168378 O\n0.383370 0.801769 0.449700 O\n0.707635 0.472886 0.101025 O\n0.050265 0.234690 0.761216 O\n",
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"elements": [
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"Ag",
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],
"chemical_system": "Ag-Co-H-Mg-O-P",
"density": 4.00736566899371,
"density_atomic": 0.08888352205469933,
"volume": 483.77920908149434,
"volume_molar": 6.775317427558673,
"formula_full": "Mg1 Co6 Ag2 P6 H4 O24",
"formula_reduced": "MgCo6Ag2P6(HO6)4",
"formula_anonymous": "AB2C4D6E6F24",
"energy": -297.35789984,
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"updated_at": "2021-11-28T01:36:37.673000Z",
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},
{
"id": "mp-772311",
"created_at": "2022-09-04T14:44:28.799106Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.769279 0.000000 0.000000\n0.000000 8.965753 0.000000\n0.000000 0.013241 10.348246\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.497929 0.082259 0.880031 Na\n0.502071 0.082259 0.380031 Na\n0.251835 0.258646 0.623763 Na\n0.748082 0.258774 0.623825 Na\n0.251918 0.258774 0.123825 Na\n0.748165 0.258646 0.123763 Na\n0.751860 0.741679 0.876556 Na\n0.248140 0.741679 0.376556 Na\n0.000187 0.915885 0.619958 Na\n0.999813 0.915885 0.119958 Na\n0.243010 0.733006 0.878806 Li\n0.756990 0.733006 0.378806 Li\n0.999654 0.362597 0.889185 Mn\n0.000346 0.362597 0.389185 Mn\n0.501179 0.639948 0.610515 Mn\n0.498821 0.639948 0.110515 Mn\n0.496385 0.413627 0.850210 P\n0.503615 0.413627 0.350210 P\n0.002825 0.591006 0.648799 P\n0.997175 0.591006 0.148799 P\n0.004984 0.056152 0.868158 C\n0.995016 0.056152 0.368158 C\n0.499416 0.939830 0.632735 C\n0.500584 0.939830 0.132735 C\n0.499907 0.083594 0.643230 O\n0.500093 0.083594 0.143230 O\n0.999325 0.120124 0.981314 O\n0.000675 0.120124 0.481314 O\n0.999158 0.140229 0.765094 O\n0.000842 0.140229 0.265094 O\n0.315054 0.318290 0.892053 O\n0.682588 0.324836 0.893983 O\n0.317412 0.324836 0.393983 O\n0.684946 0.318290 0.392053 O\n0.499495 0.427770 0.699734 O\n0.000284 0.431168 0.591283 O\n0.500505 0.427770 0.199734 O\n0.999716 0.431168 0.091283 O\n0.487271 0.573828 0.907753 O\n0.008153 0.577998 0.800151 O\n0.512729 0.573828 0.407753 O\n0.991847 0.577998 0.300151 O\n0.818143 0.682002 0.605681 O\n0.185647 0.681855 0.604142 O\n0.814353 0.681855 0.104142 O\n0.181857 0.682002 0.105681 O\n0.497087 0.855482 0.735771 O\n0.502913 0.855482 0.235771 O\n0.501585 0.877363 0.518913 O\n0.498415 0.877363 0.018913 O\n0.015619 0.912054 0.858356 O\n0.984381 0.912054 0.358356 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"P",
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"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.86459489419576,
"density_atomic": 0.08279562998042352,
"volume": 628.0524710337377,
"volume_molar": 7.27350074082883,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.8615821,
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"band_gap": 3.2839,
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"total_magnetization": 20.0049465,
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"updated_at": "2021-11-28T01:36:43.291000Z",
"spacegroup": 7
}
]
}