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{
"id": "mp-1203302",
"created_at": "2022-09-04T14:40:21.662545Z",
"structure_string": "Na28 Cu16 As20 O80\n1.0\n7.936475 0.000000 -0.373706\n3.968238 -7.801469 -0.186853\n-0.015928 -0.000000 -30.688773\nNa Cu As O\n28 16 20 80\ndirect\n0.719897 0.472779 0.066521 Na\n0.807325 0.472779 0.433479 Na\n0.280103 0.527221 0.933479 Na\n0.192675 0.527221 0.566521 Na\n0.055927 0.947921 0.315976 Na\n0.996152 0.947921 0.184024 Na\n0.944073 0.052079 0.684024 Na\n0.003848 0.052079 0.815976 Na\n0.536500 0.978706 0.054288 Na\n0.484794 0.978706 0.445712 Na\n0.463500 0.021294 0.945712 Na\n0.515206 0.021294 0.554288 Na\n0.582428 0.936057 0.172819 Na\n0.481516 0.936057 0.327181 Na\n0.417572 0.063943 0.827181 Na\n0.518484 0.063943 0.672819 Na\n0.370486 0.732161 0.124773 Na\n0.897353 0.732161 0.375227 Na\n0.629514 0.267839 0.875227 Na\n0.102647 0.267839 0.624773 Na\n0.898682 0.753456 0.982704 Na\n0.347862 0.753456 0.517296 Na\n0.101318 0.246544 0.017296 Na\n0.652138 0.246544 0.482704 Na\n0.175162 0.219308 0.237493 Na\n0.605531 0.219308 0.262507 Na\n0.824838 0.780692 0.762507 Na\n0.394469 0.780692 0.737493 Na\n0.930433 0.043966 0.076340 Cu\n0.025601 0.043966 0.423660 Cu\n0.069567 0.956034 0.923660 Cu\n0.974399 0.956034 0.576340 Cu\n0.664640 0.579291 0.929628 Cu\n0.756069 0.579291 0.570372 Cu\n0.335360 0.420709 0.070372 Cu\n0.243931 0.420709 0.429628 Cu\n0.199549 0.511135 0.177559 Cu\n0.289315 0.511135 0.322441 Cu\n0.800450 0.488865 0.822441 Cu\n0.710685 0.488865 0.677559 Cu\n0.815338 0.501625 0.186741 Cu\n0.683036 0.501625 0.313259 Cu\n0.184662 0.498375 0.813259 Cu\n0.316964 0.498375 0.686741 Cu\n0.396359 0.717174 0.235365 As\n0.886466 0.717174 0.264635 As\n0.603641 0.282826 0.764635 As\n0.113534 0.282826 0.735365 As\n0.160071 0.200573 0.125716 As\n0.639356 0.200573 0.374285 As\n0.839929 0.799427 0.874285 As\n0.360644 0.799427 0.625715 As\n0.614717 0.271002 0.157122 As\n0.114281 0.271002 0.342878 As\n0.385283 0.728998 0.842878 As\n0.885719 0.728998 0.657122 As\n0.932647 0.691921 0.090083 As\n0.375432 0.691921 0.409917 As\n0.067353 0.308079 0.909917 As\n0.624568 0.308079 0.590083 As\n0.668229 0.227520 0.984061 As\n0.104251 0.227520 0.515939 As\n0.331771 0.772480 0.015939 As\n0.895749 0.772480 0.484061 As\n0.287998 0.915314 0.258689 O\n0.796688 0.915314 0.241311 O\n0.712002 0.084686 0.741311 O\n0.203312 0.084686 0.758689 O\n0.246228 0.691275 0.200599 O\n0.062497 0.691275 0.299401 O\n0.753772 0.308725 0.799401 O\n0.937503 0.308725 0.700599 O\n0.584951 0.697286 0.201153 O\n0.717763 0.697286 0.298847 O\n0.415049 0.302714 0.798847 O\n0.282237 0.302714 0.701153 O\n0.472690 0.552127 0.272965 O\n0.975183 0.552127 0.227035 O\n0.527310 0.447873 0.727035 O\n0.024817 0.447873 0.772965 O\n0.247028 0.018827 0.155901 O\n0.734145 0.018827 0.344099 O\n0.752972 0.981173 0.844099 O\n0.265855 0.981173 0.655901 O\n0.968857 0.232394 0.096031 O\n0.798749 0.232394 0.403969 O\n0.031143 0.767606 0.903969 O\n0.201251 0.767606 0.596031 O\n0.337276 0.212622 0.093678 O\n0.450102 0.212622 0.406322 O\n0.662724 0.787378 0.906322 O\n0.549898 0.787378 0.593678 O\n0.551220 0.379130 0.339119 O\n0.069650 0.379130 0.160881 O\n0.448780 0.620870 0.660881 O\n0.930350 0.620870 0.839119 O\n0.515676 0.427510 0.118567 O\n0.056815 0.427510 0.381433 O\n0.484324 0.572490 0.881433 O\n0.943185 0.572490 0.618567 O\n0.745132 0.069892 0.134667 O\n0.184976 0.069892 0.365333 O\n0.254868 0.930108 0.865333 O\n0.815024 0.930108 0.634667 O\n0.764113 0.303487 0.191151 O\n0.932400 0.303487 0.308849 O\n0.235887 0.696513 0.808849 O\n0.067600 0.696513 0.691151 O\n0.434512 0.273910 0.192693 O\n0.291578 0.273910 0.307307 O\n0.565488 0.726090 0.807307 O\n0.708422 0.726090 0.692693 O\n0.074835 0.698632 0.130088 O\n0.226533 0.698632 0.369912 O\n0.925165 0.301368 0.869912 O\n0.773467 0.301368 0.630088 O\n0.726210 0.694297 0.109815 O\n0.579494 0.694297 0.390185 O\n0.273790 0.305703 0.890185 O\n0.420506 0.305703 0.609815 O\n0.869041 0.870726 0.055929 O\n0.260233 0.870726 0.444071 O\n0.130959 0.129274 0.944071 O\n0.739767 0.129274 0.555929 O\n0.057273 0.518471 0.055043 O\n0.424255 0.518471 0.444957 O\n0.942727 0.481529 0.944957 O\n0.575745 0.481529 0.555043 O\n0.806852 0.230237 0.024568 O\n0.962911 0.230237 0.475432 O\n0.193148 0.769763 0.975432 O\n0.037089 0.769763 0.524568 O\n0.594616 0.409041 0.951643 O\n0.996343 0.409041 0.548357 O\n0.405384 0.590959 0.048357 O\n0.003657 0.590959 0.451643 O\n0.780151 0.053941 0.948640 O\n0.165908 0.053941 0.551360 O\n0.219849 0.946059 0.051360 O\n0.834092 0.946059 0.448640 O\n0.465019 0.220044 0.003790 O\n0.314937 0.220044 0.496210 O\n0.534981 0.779956 0.996210 O\n0.685063 0.779956 0.503790 O\n",
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"elements": [
"Na",
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-Na-O",
"density": 3.8790357153805313,
"density_atomic": 0.07578239283107974,
"volume": 1900.1775296404073,
"volume_molar": 7.946622605891393,
"formula_full": "Na28 Cu16 As20 O80",
"formula_reduced": "Na7Cu4(AsO4)5",
"formula_anonymous": "A4B5C7D20",
"energy": -836.28077354,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:47.361000Z",
"spacegroup": 15
},
{
"id": "mp-1229290",
"created_at": "2022-09-04T14:47:23.359202Z",
"structure_string": "Cs4 Sc12 H24 Se24 O80\n1.0\n0.000000 0.000000 -9.741305\n0.000000 -13.475657 0.000000\n-16.980384 0.000000 0.000000\nCs Sc H Se O\n4 12 24 24 80\ndirect\n0.489322 0.250000 0.709132 Cs\n0.010678 0.250000 0.209132 Cs\n0.510678 0.750000 0.290868 Cs\n0.989322 0.750000 0.790868 Cs\n0.054041 0.250000 0.936961 Sc\n0.445959 0.250000 0.436961 Sc\n0.945959 0.750000 0.063039 Sc\n0.554041 0.750000 0.563039 Sc\n0.677926 0.500230 0.873801 Sc\n0.822074 0.999770 0.373801 Sc\n0.322074 0.000230 0.126199 Sc\n0.177926 0.499770 0.626199 Sc\n0.322074 0.499770 0.126199 Sc\n0.177926 0.000230 0.626199 Sc\n0.677926 0.999770 0.873801 Sc\n0.822074 0.500230 0.373801 Sc\n0.908318 0.399306 0.023780 H\n0.591682 0.100694 0.523780 H\n0.091682 0.899306 0.976220 H\n0.408318 0.600694 0.476220 H\n0.091682 0.600694 0.976220 H\n0.408318 0.899306 0.476220 H\n0.908318 0.100694 0.023780 H\n0.591682 0.399306 0.523780 H\n0.068528 0.414606 0.037186 H\n0.431472 0.085394 0.537186 H\n0.931472 0.914606 0.962814 H\n0.568528 0.585394 0.462814 H\n0.931472 0.585394 0.962814 H\n0.568528 0.914606 0.462814 H\n0.068528 0.085394 0.037186 H\n0.431472 0.414606 0.537186 H\n0.809562 0.461992 0.185649 H\n0.690438 0.038008 0.685649 H\n0.190438 0.961992 0.814351 H\n0.309562 0.538008 0.314351 H\n0.190438 0.538008 0.814351 H\n0.309562 0.961992 0.314351 H\n0.809562 0.038008 0.185649 H\n0.690438 0.461992 0.685649 H\n0.986441 0.406321 0.785049 Se\n0.513559 0.093679 0.285049 Se\n0.013559 0.906321 0.214951 Se\n0.486441 0.593679 0.714951 Se\n0.013559 0.593679 0.214951 Se\n0.486441 0.906321 0.714951 Se\n0.986441 0.093679 0.785049 Se\n0.513559 0.406321 0.285049 Se\n0.676331 0.250000 0.924114 Se\n0.823669 0.250000 0.424114 Se\n0.323669 0.750000 0.075886 Se\n0.176331 0.750000 0.575886 Se\n0.668258 0.510580 0.081559 Se\n0.831742 0.989420 0.581559 Se\n0.331742 0.010580 0.918441 Se\n0.168258 0.489420 0.418441 Se\n0.331742 0.489420 0.918441 Se\n0.168258 0.010580 0.418441 Se\n0.668258 0.989420 0.081559 Se\n0.831742 0.510580 0.581559 Se\n0.655299 0.750000 0.930244 Se\n0.844701 0.750000 0.430244 Se\n0.344701 0.250000 0.069756 Se\n0.155299 0.250000 0.569756 Se\n0.726877 0.652573 0.878913 O\n0.773123 0.847427 0.378913 O\n0.273123 0.152573 0.121087 O\n0.226877 0.347427 0.621087 O\n0.273123 0.347427 0.121087 O\n0.226877 0.152573 0.621087 O\n0.726877 0.847427 0.878913 O\n0.773123 0.652573 0.378913 O\n0.513830 0.451615 0.078958 O\n0.986170 0.048385 0.578958 O\n0.486170 0.951615 0.921042 O\n0.013830 0.548385 0.421042 O\n0.486170 0.548385 0.921042 O\n0.013830 0.951615 0.421042 O\n0.513830 0.048385 0.078958 O\n0.986170 0.451615 0.578958 O\n0.748388 0.475151 0.995019 O\n0.751612 0.024849 0.495019 O\n0.251612 0.975151 0.004981 O\n0.248388 0.524849 0.504981 O\n0.251612 0.524849 0.004981 O\n0.248388 0.975151 0.504981 O\n0.748388 0.024849 0.995019 O\n0.751612 0.475151 0.495019 O\n0.093908 0.365108 0.859183 O\n0.406092 0.134892 0.359183 O\n0.906092 0.865108 0.140817 O\n0.593908 0.634892 0.640817 O\n0.906092 0.634892 0.140817 O\n0.593908 0.865108 0.640817 O\n0.093908 0.134892 0.859183 O\n0.406092 0.365108 0.359183 O\n0.851036 0.250000 0.906425 O\n0.648964 0.250000 0.406425 O\n0.148964 0.750000 0.093575 O\n0.351036 0.750000 0.593575 O\n0.097237 0.492862 0.742984 O\n0.402763 0.007138 0.242984 O\n0.902763 0.992862 0.257016 O\n0.597237 0.507138 0.757016 O\n0.902763 0.507138 0.257016 O\n0.597237 0.992862 0.757016 O\n0.097237 0.007138 0.742984 O\n0.402763 0.492862 0.242984 O\n0.997338 0.363996 0.028541 O\n0.502662 0.136004 0.528541 O\n0.002662 0.863996 0.971459 O\n0.497338 0.636004 0.471459 O\n0.002662 0.636004 0.971459 O\n0.497338 0.863996 0.471459 O\n0.997338 0.136004 0.028541 O\n0.502662 0.363996 0.528541 O\n0.752276 0.750000 0.015945 O\n0.747724 0.750000 0.515945 O\n0.247724 0.250000 0.984055 O\n0.252276 0.250000 0.484055 O\n0.623968 0.348444 0.866555 O\n0.876032 0.151556 0.366555 O\n0.376032 0.848444 0.133445 O\n0.123968 0.651556 0.633445 O\n0.376032 0.651556 0.133445 O\n0.123968 0.848444 0.633445 O\n0.623968 0.151556 0.866555 O\n0.876032 0.348444 0.366555 O\n0.878330 0.485302 0.834071 O\n0.621670 0.014698 0.334071 O\n0.121670 0.985302 0.165929 O\n0.378330 0.514698 0.665929 O\n0.121670 0.514698 0.165929 O\n0.378330 0.985302 0.665929 O\n0.878330 0.014698 0.834071 O\n0.621670 0.485302 0.334071 O\n0.752547 0.423712 0.145435 O\n0.747453 0.076288 0.645435 O\n0.247453 0.923712 0.854565 O\n0.252547 0.576288 0.354565 O\n0.247453 0.576288 0.854565 O\n0.252547 0.923712 0.354565 O\n0.752547 0.076288 0.145435 O\n0.747453 0.423712 0.645435 O\n",
"nsites": 144,
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"elements": [
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"Sc",
"H",
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"O"
],
"chemical_system": "Cs-H-O-Sc-Se",
"density": 3.1811956230252854,
"density_atomic": 0.06460228736402264,
"volume": 2229.023241678504,
"volume_molar": 9.321869249096839,
"formula_full": "Cs4 Sc12 H24 Se24 O80",
"formula_reduced": "CsSc3H6(Se3O10)2",
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"energy": -914.46966917,
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"updated_at": "2021-11-28T01:37:59.747000Z",
"spacegroup": 62
},
{
"id": "mp-1076205",
"created_at": "2022-09-04T14:41:11.336626Z",
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"elements": [
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"updated_at": "2021-11-28T01:35:16.272000Z",
"spacegroup": 1
},
{
"id": "mp-559829",
"created_at": "2022-09-04T14:46:55.378702Z",
"structure_string": "Si48 O96\n1.0\n-10.471158 10.471158 10.471158\n10.471158 -10.471158 10.471158\n10.471158 10.471158 -10.471158\nSi O\n48 96\ndirect\n0.168114 0.154616 0.857913 Si\n0.154616 0.857913 0.168114 Si\n0.703297 0.857913 0.189799 Si\n0.513499 0.703297 0.345384 Si\n0.689799 0.831886 0.486501 Si\n0.345384 0.513499 0.703297 Si\n0.845384 0.203297 0.013499 Si\n0.203297 0.013499 0.845384 Si\n0.986501 0.331886 0.189799 Si\n0.831886 0.845384 0.142087 Si\n0.857913 0.168114 0.154616 Si\n0.845384 0.142087 0.831886 Si\n0.654616 0.486501 0.296703 Si\n0.296703 0.142087 0.810201 Si\n0.654616 0.668114 0.357913 Si\n0.986501 0.154616 0.796703 Si\n0.642087 0.796703 0.310201 Si\n0.331886 0.642087 0.345384 Si\n0.810201 0.013499 0.668114 Si\n0.513499 0.310201 0.168114 Si\n0.310201 0.168114 0.513499 Si\n0.296703 0.654616 0.486501 Si\n0.013499 0.845384 0.203297 Si\n0.331886 0.189799 0.986501 Si\n0.357913 0.203297 0.689799 Si\n0.154616 0.796703 0.986501 Si\n0.203297 0.689799 0.357913 Si\n0.689799 0.357913 0.203297 Si\n0.703297 0.345384 0.513499 Si\n0.345384 0.331886 0.642087 Si\n0.486501 0.689799 0.831886 Si\n0.189799 0.986501 0.331886 Si\n0.168114 0.513499 0.310201 Si\n0.810201 0.296703 0.142087 Si\n0.831886 0.486501 0.689799 Si\n0.857913 0.189799 0.703297 Si\n0.142087 0.831886 0.845384 Si\n0.668114 0.357913 0.654616 Si\n0.796703 0.310201 0.642087 Si\n0.357913 0.654616 0.668114 Si\n0.642087 0.345384 0.331886 Si\n0.310201 0.642087 0.796703 Si\n0.486501 0.296703 0.654616 Si\n0.796703 0.986501 0.154616 Si\n0.013499 0.668114 0.810201 Si\n0.668114 0.810201 0.013499 Si\n0.142087 0.810201 0.296703 Si\n0.189799 0.703297 0.857913 Si\n0.783706 0.452921 0.580604 O\n0.830785 0.127683 0.047079 O\n0.750000 0.964886 0.214886 O\n0.214886 0.964886 0.250000 O\n0.372317 0.669215 0.452921 O\n0.035114 0.785114 0.250000 O\n0.250000 0.035114 0.785114 O\n0.169215 0.796898 0.216294 O\n0.591605 0.750000 0.908395 O\n0.080604 0.952921 0.283706 O\n0.330785 0.547079 0.627683 O\n0.535114 0.750000 0.285114 O\n0.183210 0.841605 0.091605 O\n0.203102 0.783706 0.830785 O\n0.964886 0.250000 0.214886 O\n0.580604 0.296898 0.127683 O\n0.952921 0.283706 0.080604 O\n0.669215 0.716294 0.296898 O\n0.785114 0.250000 0.035114 O\n0.047079 0.716294 0.919396 O\n0.250000 0.091605 0.408395 O\n0.283706 0.080604 0.952921 O\n0.872317 0.419396 0.703102 O\n0.547079 0.419396 0.216294 O\n0.158395 0.750000 0.341605 O\n0.216294 0.169215 0.796898 O\n0.658395 0.316790 0.408395 O\n0.964886 0.214886 0.750000 O\n0.716294 0.919396 0.047079 O\n0.841605 0.250000 0.658395 O\n0.047079 0.830785 0.127683 O\n0.419396 0.216294 0.547079 O\n0.285114 0.535114 0.750000 O\n0.919396 0.372317 0.203102 O\n0.464886 0.714886 0.750000 O\n0.330785 0.283706 0.703102 O\n0.785114 0.035114 0.750000 O\n0.214886 0.750000 0.964886 O\n0.341605 0.683210 0.591605 O\n0.750000 0.785114 0.035114 O\n0.591605 0.341605 0.683210 O\n0.250000 0.535114 0.285114 O\n0.408395 0.658395 0.316790 O\n0.452921 0.372317 0.669215 O\n0.547079 0.627683 0.330785 O\n0.250000 0.214886 0.964886 O\n0.464886 0.250000 0.714886 O\n0.830785 0.203102 0.783706 O\n0.816790 0.158395 0.908395 O\n0.216294 0.547079 0.419396 O\n0.908395 0.816790 0.158395 O\n0.452921 0.580604 0.783706 O\n0.158395 0.908395 0.816790 O\n0.250000 0.658395 0.841605 O\n0.714886 0.750000 0.464886 O\n0.783706 0.830785 0.203102 O\n0.283706 0.703102 0.330785 O\n0.580604 0.783706 0.452921 O\n0.419396 0.703102 0.872317 O\n0.203102 0.919396 0.372317 O\n0.250000 0.714886 0.464886 O\n0.127683 0.047079 0.830785 O\n0.296898 0.669215 0.716294 O\n0.127683 0.580604 0.296898 O\n0.372317 0.203102 0.919396 O\n0.750000 0.908395 0.591605 O\n0.919396 0.047079 0.716294 O\n0.796898 0.216294 0.169215 O\n0.669215 0.452921 0.372317 O\n0.796898 0.080604 0.627683 O\n0.750000 0.341605 0.158395 O\n0.750000 0.285114 0.535114 O\n0.908395 0.591605 0.750000 O\n0.091605 0.183210 0.841605 O\n0.952921 0.169215 0.872317 O\n0.872317 0.952921 0.169215 O\n0.627683 0.330785 0.547079 O\n0.035114 0.750000 0.785114 O\n0.169215 0.872317 0.952921 O\n0.285114 0.250000 0.535114 O\n0.296898 0.127683 0.580604 O\n0.627683 0.796898 0.080604 O\n0.341605 0.158395 0.750000 O\n0.316790 0.408395 0.658395 O\n0.703102 0.872317 0.419396 O\n0.841605 0.091605 0.183210 O\n0.683210 0.591605 0.341605 O\n0.703102 0.330785 0.283706 O\n0.080604 0.627683 0.796898 O\n0.408395 0.250000 0.091605 O\n0.750000 0.464886 0.714886 O\n0.658395 0.841605 0.250000 O\n0.716294 0.296898 0.669215 O\n0.535114 0.285114 0.250000 O\n0.091605 0.408395 0.250000 O\n0.714886 0.464886 0.250000 O\n",
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{
"id": "mp-1099902",
"created_at": "2022-09-04T14:40:21.652732Z",
"structure_string": "La28 Sm4 Mn4 Fe28 O80\n1.0\n0.006726 0.007557 11.034527\n11.828672 0.001341 0.006298\n-5.916239 15.860424 -5.509291\nLa Sm Mn Fe O\n28 4 4 28 80\ndirect\n0.301845 0.062252 0.111718 La\n0.305352 0.064047 0.609610 La\n0.304841 0.566187 0.610543 La\n0.805169 0.064518 0.611466 La\n0.804827 0.564809 0.110851 La\n0.803024 0.564295 0.610239 La\n0.193571 0.434941 0.387987 La\n0.191849 0.435927 0.892778 La\n0.192035 0.933715 0.386126 La\n0.192889 0.935676 0.889018 La\n0.693599 0.435340 0.388312 La\n0.693181 0.935077 0.389580 La\n0.692601 0.936407 0.889041 La\n0.053671 0.296971 0.111408 La\n0.053249 0.293936 0.609357 La\n0.052816 0.796517 0.609979 La\n0.555115 0.296007 0.111379 La\n0.555131 0.297978 0.613274 La\n0.550464 0.796422 0.111002 La\n0.554879 0.796435 0.611332 La\n0.444048 0.203070 0.388883 La\n0.446499 0.206425 0.890334 La\n0.442934 0.702542 0.386932 La\n0.444348 0.704116 0.889354 La\n0.943786 0.204275 0.387820 La\n0.940525 0.203967 0.889294 La\n0.943684 0.702350 0.386994 La\n0.942826 0.703698 0.891028 La\n0.301706 0.565758 0.109946 Sm\n0.802532 0.066050 0.108123 Sm\n0.692030 0.435364 0.891469 Sm\n0.054519 0.794112 0.110492 Sm\n0.108615 0.595859 0.750435 Mn\n0.362296 0.403139 0.751028 Mn\n0.360083 0.904425 0.750490 Mn\n0.860032 0.903864 0.247014 Mn\n0.005494 0.999475 0.001840 Fe\n0.005469 0.998445 0.498835 Fe\n0.005043 0.501630 0.001151 Fe\n0.005588 0.500289 0.500099 Fe\n0.505961 0.999609 0.001089 Fe\n0.504890 0.999723 0.499451 Fe\n0.505796 0.500557 0.000392 Fe\n0.504604 0.499751 0.499383 Fe\n0.255554 0.250640 0.001604 Fe\n0.255572 0.249083 0.499390 Fe\n0.255137 0.749568 0.000112 Fe\n0.255538 0.749729 0.499283 Fe\n0.754962 0.250846 0.000573 Fe\n0.754864 0.249818 0.499886 Fe\n0.757421 0.751111 0.001939 Fe\n0.754410 0.749964 0.499481 Fe\n0.108495 0.100001 0.247853 Fe\n0.112181 0.103825 0.750873 Fe\n0.113570 0.602702 0.247964 Fe\n0.613427 0.101255 0.249070 Fe\n0.612986 0.104704 0.750548 Fe\n0.608300 0.601022 0.248181 Fe\n0.614169 0.602372 0.752165 Fe\n0.360858 0.398120 0.248074 Fe\n0.359469 0.895646 0.248233 Fe\n0.861744 0.396935 0.249199 Fe\n0.859717 0.398128 0.751535 Fe\n0.862269 0.898019 0.751028 Fe\n0.115777 0.116969 0.477944 O\n0.114251 0.118464 0.978658 O\n0.115505 0.616881 0.476486 O\n0.116633 0.619948 0.981217 O\n0.616135 0.117069 0.478143 O\n0.616427 0.119203 0.980102 O\n0.615623 0.617054 0.478756 O\n0.616445 0.616101 0.975915 O\n0.139555 0.387452 0.024498 O\n0.136214 0.381566 0.520912 O\n0.136566 0.881508 0.025819 O\n0.137786 0.882499 0.521838 O\n0.635586 0.382867 0.021020 O\n0.636874 0.382518 0.521480 O\n0.642526 0.887648 0.026358 O\n0.637716 0.883255 0.521057 O\n0.364942 0.109400 0.476390 O\n0.365461 0.109093 0.978669 O\n0.365448 0.609951 0.476666 O\n0.365660 0.609455 0.980172 O\n0.866893 0.111821 0.479078 O\n0.864524 0.109739 0.981042 O\n0.866040 0.611142 0.478659 O\n0.862765 0.607368 0.974328 O\n0.385796 0.392074 0.025076 O\n0.386647 0.387501 0.520144 O\n0.388120 0.888117 0.023287 O\n0.387717 0.887821 0.520967 O\n0.883924 0.388639 0.019389 O\n0.886964 0.388441 0.521301 O\n0.891536 0.891629 0.028440 O\n0.886488 0.888865 0.520571 O\n0.092678 0.117081 0.139650 O\n0.091453 0.113757 0.639868 O\n0.100264 0.616543 0.139175 O\n0.094552 0.616870 0.639519 O\n0.601600 0.114893 0.140472 O\n0.592453 0.114662 0.639324 O\n0.593550 0.616412 0.139553 O\n0.592236 0.613266 0.641056 O\n0.451339 0.385507 0.358814 O\n0.464633 0.384490 0.861278 O\n0.450758 0.885101 0.359405 O\n0.456323 0.883973 0.861680 O\n0.950870 0.385672 0.359931 O\n0.953749 0.385228 0.861080 O\n0.955342 0.883170 0.358785 O\n0.952932 0.885943 0.861421 O\n0.343258 0.271576 0.140148 O\n0.345869 0.272832 0.639026 O\n0.342336 0.771005 0.139801 O\n0.346013 0.773744 0.639205 O\n0.841182 0.273658 0.139133 O\n0.840517 0.276548 0.640817 O\n0.856950 0.769750 0.139621 O\n0.840491 0.775807 0.640062 O\n0.198252 0.221792 0.358439 O\n0.203603 0.225600 0.861236 O\n0.202713 0.724749 0.359070 O\n0.205709 0.727018 0.861386 O\n0.702020 0.224221 0.359668 O\n0.702048 0.227482 0.860961 O\n0.699901 0.723365 0.359522 O\n0.704277 0.728014 0.861563 O\n0.420104 0.067595 0.250170 O\n0.419731 0.073398 0.750625 O\n0.412493 0.569632 0.244291 O\n0.418419 0.572447 0.749929 O\n0.912091 0.073712 0.244529 O\n0.918667 0.070555 0.750887 O\n0.920917 0.567848 0.248997 O\n0.916138 0.570984 0.750499 O\n0.168344 0.430360 0.249548 O\n0.169002 0.425967 0.751005 O\n0.162922 0.925349 0.244157 O\n0.167664 0.929689 0.750280 O\n0.668409 0.431172 0.250069 O\n0.667876 0.430501 0.756232 O\n0.668248 0.927472 0.249728 O\n0.668500 0.932098 0.750139 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sm",
"density": 6.057719598938234,
"density_atomic": 0.06954029604010611,
"volume": 2070.741831713667,
"volume_molar": 8.659929714027733,
"formula_full": "La28 Sm4 Mn4 Fe28 O80",
"formula_reduced": "La7SmMnFe7O20",
"formula_anonymous": "ABC7D7E20",
"energy": -1221.31676225,
"energy_per_atom": -8.481366404513889,
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"formation_energy": null,
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"energy_uncorrected": -1096.51676225,
"band_gap": 0.8737000000000004,
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"is_magnetic": true,
"total_magnetization": 132.0278857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.905000Z",
"spacegroup": 1
},
{
"id": "mp-1099708",
"created_at": "2022-09-04T14:43:00.565224Z",
"structure_string": "Sr12 Ca20 Fe16 Co16 O80\n1.0\n0.045003 0.000504 10.750942\n11.257771 -0.005227 0.046983\n-5.658468 15.484015 -5.398367\nSr Ca Fe Co O\n12 20 16 16 80\ndirect\n0.308723 0.563891 0.610723 Sr\n0.807251 0.061022 0.609203 Sr\n0.806405 0.565437 0.611300 Sr\n0.195522 0.432831 0.385295 Sr\n0.200601 0.438571 0.895887 Sr\n0.694714 0.930685 0.385138 Sr\n0.059907 0.293993 0.610246 Sr\n0.056194 0.798667 0.610920 Sr\n0.557139 0.297019 0.611435 Sr\n0.449511 0.204995 0.892864 Sr\n0.944265 0.200869 0.385616 Sr\n0.950810 0.206882 0.893914 Sr\n0.304289 0.066140 0.105844 Ca\n0.303277 0.069714 0.606804 Ca\n0.302811 0.569265 0.106766 Ca\n0.800989 0.066127 0.104147 Ca\n0.803318 0.568377 0.105870 Ca\n0.195302 0.928962 0.389683 Ca\n0.200511 0.935078 0.899421 Ca\n0.691027 0.431706 0.388132 Ca\n0.698995 0.435911 0.897079 Ca\n0.698445 0.935041 0.896867 Ca\n0.054809 0.287100 0.105706 Ca\n0.051817 0.788685 0.104740 Ca\n0.551324 0.286396 0.105944 Ca\n0.552609 0.788112 0.104133 Ca\n0.556056 0.789341 0.608677 Ca\n0.444169 0.210332 0.389131 Ca\n0.443845 0.707088 0.390192 Ca\n0.449682 0.715551 0.898658 Ca\n0.942599 0.711720 0.389296 Ca\n0.948651 0.715005 0.899091 Ca\n0.105897 0.084293 0.244918 Fe\n0.112996 0.087642 0.754450 Fe\n0.102677 0.592908 0.246556 Fe\n0.109493 0.598251 0.755368 Fe\n0.600155 0.090936 0.246228 Fe\n0.603459 0.088793 0.749755 Fe\n0.602508 0.587117 0.246255 Fe\n0.610423 0.600081 0.757225 Fe\n0.354578 0.408959 0.244981 Fe\n0.363734 0.413583 0.755412 Fe\n0.351801 0.906792 0.248177 Fe\n0.362203 0.907975 0.752246 Fe\n0.851021 0.411907 0.247076 Fe\n0.857626 0.415992 0.756095 Fe\n0.854625 0.904520 0.242496 Fe\n0.854675 0.905663 0.753293 Fe\n0.008776 0.000273 0.003538 Co\n0.005904 0.997710 0.497278 Co\n0.007093 0.502686 0.003562 Co\n0.000017 0.499075 0.493913 Co\n0.508577 0.001003 0.003372 Co\n0.502490 0.998268 0.497597 Co\n0.508652 0.502988 0.003639 Co\n0.502063 0.497379 0.493397 Co\n0.259666 0.251849 0.005262 Co\n0.252921 0.245437 0.492882 Co\n0.258332 0.752496 0.003561 Co\n0.255415 0.750439 0.499050 Co\n0.759223 0.253184 0.005400 Co\n0.751914 0.249010 0.496704 Co\n0.757262 0.750684 0.001098 Co\n0.750576 0.744765 0.493795 Co\n0.126027 0.114589 0.485840 O\n0.127547 0.117590 0.992266 O\n0.115764 0.617554 0.488667 O\n0.124587 0.625429 0.993039 O\n0.614718 0.113831 0.486850 O\n0.628353 0.119314 0.991607 O\n0.616895 0.614654 0.478713 O\n0.624300 0.620006 0.988150 O\n0.140569 0.382099 0.021057 O\n0.137807 0.368899 0.505805 O\n0.137971 0.878486 0.015286 O\n0.131072 0.883596 0.504626 O\n0.643961 0.377452 0.016098 O\n0.626351 0.383111 0.503611 O\n0.638362 0.879609 0.015358 O\n0.633822 0.865023 0.506383 O\n0.366520 0.121359 0.485287 O\n0.374489 0.116021 0.990784 O\n0.380852 0.616263 0.489365 O\n0.377974 0.624394 0.992639 O\n0.879871 0.112251 0.491004 O\n0.871015 0.123070 0.992641 O\n0.864869 0.622549 0.484594 O\n0.871510 0.618457 0.985892 O\n0.391886 0.387371 0.019403 O\n0.384309 0.378520 0.506853 O\n0.388302 0.885431 0.015495 O\n0.388290 0.888002 0.509352 O\n0.886304 0.387377 0.016458 O\n0.884767 0.387407 0.503851 O\n0.888514 0.886788 0.015730 O\n0.883992 0.876608 0.505580 O\n0.095145 0.103581 0.140882 O\n0.093530 0.092069 0.643255 O\n0.085598 0.608384 0.140594 O\n0.078671 0.596897 0.641903 O\n0.586918 0.105633 0.140577 O\n0.584373 0.093623 0.639205 O\n0.592321 0.605879 0.141662 O\n0.584821 0.604983 0.645424 O\n0.440266 0.394400 0.353981 O\n0.450742 0.404183 0.864093 O\n0.439112 0.893204 0.357269 O\n0.456075 0.899192 0.860983 O\n0.940635 0.403550 0.356933 O\n0.946494 0.402456 0.862780 O\n0.943543 0.896383 0.352871 O\n0.947839 0.898037 0.862030 O\n0.343633 0.284410 0.140810 O\n0.337495 0.291101 0.645408 O\n0.339646 0.787909 0.141130 O\n0.337796 0.794018 0.640242 O\n0.841541 0.287634 0.141839 O\n0.830220 0.302409 0.642114 O\n0.838335 0.782421 0.136212 O\n0.828146 0.793618 0.640803 O\n0.195289 0.203058 0.354860 O\n0.193817 0.208717 0.862813 O\n0.197668 0.706905 0.357476 O\n0.204302 0.715503 0.863849 O\n0.688288 0.207702 0.357381 O\n0.689779 0.212455 0.858057 O\n0.698558 0.703408 0.354667 O\n0.703423 0.719805 0.864507 O\n0.421071 0.066415 0.249267 O\n0.420702 0.064623 0.744158 O\n0.422237 0.570052 0.248268 O\n0.432888 0.575067 0.759771 O\n0.923026 0.060242 0.239117 O\n0.932295 0.058946 0.751086 O\n0.922019 0.570918 0.248460 O\n0.932810 0.575214 0.761209 O\n0.172092 0.431406 0.239886 O\n0.183292 0.440691 0.752679 O\n0.170619 0.924437 0.247607 O\n0.186012 0.932431 0.760632 O\n0.668696 0.426293 0.246397 O\n0.679323 0.441581 0.759828 O\n0.673875 0.931824 0.240460 O\n0.673135 0.930057 0.752986 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.40397387122017,
"density_atomic": 0.0768517745318715,
"volume": 1873.7368249093738,
"volume_molar": 7.836046463055364,
"formula_full": "Sr12 Ca20 Fe16 Co16 O80",
"formula_reduced": "Sr3Ca5Fe4(CoO5)4",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1029.87857619,
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"updated_at": "2021-11-28T01:36:08.261000Z",
"spacegroup": 1
},
{
"id": "mp-1097707",
"created_at": "2022-09-04T14:46:55.351274Z",
"structure_string": "Cu96 Se48\n1.0\n12.634543 0.000065 0.000108\n0.000012 12.400662 -6.082667\n0.000132 0.056012 15.654067\nCu Se\n96 48\ndirect\n0.458023 0.647177 0.828237 Cu\n0.393152 0.956621 0.143080 Cu\n0.290838 0.751525 0.025496 Cu\n0.041920 0.147172 0.828250 Cu\n0.554142 0.324663 0.685505 Cu\n0.592166 0.716598 0.992039 Cu\n0.849004 0.560611 0.057245 Cu\n0.668818 0.995067 0.552740 Cu\n0.417352 0.720305 0.496953 Cu\n0.750482 0.923224 0.140397 Cu\n0.290745 0.574822 0.214654 Cu\n0.731736 0.213705 0.637582 Cu\n0.248979 0.856529 0.779386 Cu\n0.397529 0.951485 0.612288 Cu\n0.573717 0.838656 0.900049 Cu\n0.860532 0.061539 0.074662 Cu\n0.650986 0.060614 0.057231 Cu\n0.698862 0.361175 0.282882 Cu\n0.092175 0.783419 0.007971 Cu\n0.784144 0.229144 0.477424 Cu\n0.261770 0.920179 0.271204 Cu\n0.941059 0.075297 0.390988 Cu\n0.954350 0.328011 0.702841 Cu\n0.407767 0.693960 0.132918 Cu\n0.582648 0.279695 0.503047 Cu\n0.768265 0.713708 0.637568 Cu\n0.150996 0.439389 0.942755 Cu\n0.215856 0.770856 0.522576 Cu\n0.168832 0.504937 0.447263 Cu\n0.386386 0.159459 0.621698 Cu\n0.748981 0.643465 0.220593 Cu\n0.790749 0.925178 0.785344 Cu\n0.426283 0.161344 0.099951 Cu\n0.751021 0.143471 0.220614 Cu\n0.268264 0.786295 0.362418 Cu\n0.238240 0.420189 0.271203 Cu\n0.558944 0.575297 0.390996 Cu\n0.250482 0.576773 0.859605 Cu\n0.369994 0.484950 0.419195 Cu\n0.092234 0.193958 0.132917 Cu\n0.869993 0.015053 0.580805 Cu\n0.541977 0.352823 0.171763 Cu\n0.761760 0.579811 0.728797 Cu\n0.749518 0.423227 0.140395 Cu\n0.432611 0.112700 0.777291 Cu\n0.231735 0.286292 0.362432 Cu\n0.445858 0.675337 0.314496 Cu\n0.790842 0.748483 0.974514 Cu\n0.926332 0.338636 0.900075 Cu\n0.639468 0.561534 0.074662 Cu\n0.407834 0.283402 0.007961 Cu\n0.630006 0.515050 0.580805 Cu\n0.567389 0.887300 0.222709 Cu\n0.082660 0.220294 0.496944 Cu\n0.738230 0.079821 0.728796 Cu\n0.592233 0.306040 0.867082 Cu\n0.045650 0.671989 0.297159 Cu\n0.054138 0.175338 0.314490 Cu\n0.113616 0.659452 0.621696 Cu\n0.349014 0.939386 0.942769 Cu\n0.893162 0.543368 0.856916 Cu\n0.545649 0.828013 0.702835 Cu\n0.907825 0.216581 0.992029 Cu\n0.945862 0.824662 0.685511 Cu\n0.067428 0.612648 0.777259 Cu\n0.606848 0.043379 0.856920 Cu\n0.602471 0.048515 0.387712 Cu\n0.331182 0.004933 0.447260 Cu\n0.715856 0.729144 0.477423 Cu\n0.709162 0.248475 0.974504 Cu\n0.917340 0.779706 0.503056 Cu\n0.209158 0.251517 0.025486 Cu\n0.209251 0.074822 0.214656 Cu\n0.284144 0.270856 0.522577 Cu\n0.613614 0.840541 0.378302 Cu\n0.454351 0.171987 0.297165 Cu\n0.106838 0.456632 0.143084 Cu\n0.958080 0.852828 0.171750 Cu\n0.198859 0.138832 0.717134 Cu\n0.441056 0.424703 0.609004 Cu\n0.102508 0.451425 0.612242 Cu\n0.907766 0.806042 0.867083 Cu\n0.058941 0.924703 0.609012 Cu\n0.251019 0.356535 0.779407 Cu\n0.301138 0.638825 0.717118 Cu\n0.932572 0.387352 0.222741 Cu\n0.831168 0.495063 0.552737 Cu\n0.249518 0.076776 0.859603 Cu\n0.709255 0.425178 0.785346 Cu\n0.360532 0.438466 0.925338 Cu\n0.130007 0.984947 0.419195 Cu\n0.897492 0.548575 0.387758 Cu\n0.139468 0.938461 0.925338 Cu\n0.886384 0.340548 0.378304 Cu\n0.073668 0.661364 0.099925 Cu\n0.801141 0.861168 0.282866 Cu\n0.570450 0.908096 0.069980 Se\n0.210240 0.132347 0.556053 Se\n0.561890 0.141177 0.553881 Se\n0.081570 0.293167 0.795226 Se\n0.710240 0.367651 0.443949 Se\n0.418425 0.793187 0.795228 Se\n0.771130 0.076300 0.945682 Se\n0.232603 0.726720 0.192786 Se\n0.573075 0.987065 0.688930 Se\n0.573226 0.711127 0.212662 Se\n0.070450 0.591909 0.930013 Se\n0.734814 0.542803 0.312456 Se\n0.429550 0.091904 0.930020 Se\n0.079786 0.987935 0.274179 Se\n0.926934 0.487059 0.688923 Se\n0.080655 0.114337 0.960903 Se\n0.073231 0.788854 0.787337 Se\n0.089551 0.828150 0.441374 Se\n0.410448 0.328150 0.441374 Se\n0.228870 0.923700 0.054318 Se\n0.918430 0.706833 0.204774 Se\n0.234819 0.957202 0.687543 Se\n0.728875 0.576308 0.945684 Se\n0.267384 0.226727 0.192794 Se\n0.919345 0.885663 0.039097 Se\n0.920214 0.012065 0.725821 Se\n0.579776 0.512070 0.725827 Se\n0.061886 0.358820 0.446106 Se\n0.073066 0.512941 0.311077 Se\n0.589552 0.671850 0.558626 Se\n0.438110 0.858823 0.446119 Se\n0.926769 0.211146 0.212663 Se\n0.929550 0.408091 0.069987 Se\n0.910449 0.171850 0.558626 Se\n0.271125 0.423692 0.054316 Se\n0.580652 0.385660 0.039103 Se\n0.426774 0.288873 0.787338 Se\n0.420224 0.487930 0.274173 Se\n0.426925 0.012935 0.311070 Se\n0.419348 0.614340 0.960897 Se\n0.789760 0.867653 0.443947 Se\n0.938114 0.641180 0.553894 Se\n0.767397 0.273280 0.807214 Se\n0.265186 0.457197 0.687544 Se\n0.732616 0.773273 0.807206 Se\n0.289760 0.632349 0.556051 Se\n0.765181 0.042798 0.312457 Se\n0.581575 0.206813 0.204772 Se\n",
"nsites": 144,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.684578204330031,
"density_atomic": 0.058609677481822435,
"volume": 2456.9321345380386,
"volume_molar": 10.274993855524531,
"formula_full": "Cu96 Se48",
"formula_reduced": "Cu2Se",
"formula_anonymous": "AB2",
"energy": -588.06483225,
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"band_gap": 0.0518999999999998,
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"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.995000Z",
"spacegroup": 14
},
{
"id": "mp-1076092",
"created_at": "2022-09-04T14:41:14.221428Z",
"structure_string": "Sr28 Ca4 Mn8 Fe24 O80\n1.0\n0.020827 -0.012678 11.174037\n11.398426 0.005628 0.021619\n-5.701988 15.773821 -5.615495\nSr Ca Mn Fe O\n28 4 8 24 80\ndirect\n0.307210 0.059812 0.608627 Sr\n0.307044 0.559287 0.607931 Sr\n0.806217 0.061079 0.608687 Sr\n0.805966 0.564628 0.109413 Sr\n0.807228 0.559483 0.608177 Sr\n0.196009 0.435101 0.389721 Sr\n0.198999 0.441091 0.892801 Sr\n0.196333 0.937043 0.389300 Sr\n0.199086 0.940818 0.893117 Sr\n0.696576 0.436361 0.390522 Sr\n0.699839 0.440628 0.892059 Sr\n0.698274 0.938020 0.390901 Sr\n0.700381 0.938763 0.893900 Sr\n0.057200 0.294792 0.110321 Sr\n0.057036 0.298242 0.607886 Sr\n0.056976 0.798551 0.608207 Sr\n0.556153 0.294920 0.109864 Sr\n0.557841 0.298465 0.608551 Sr\n0.556263 0.797110 0.109472 Sr\n0.556411 0.796114 0.607165 Sr\n0.445353 0.200406 0.387299 Sr\n0.448352 0.201067 0.892018 Sr\n0.445381 0.703061 0.389324 Sr\n0.448986 0.702227 0.892879 Sr\n0.946000 0.202355 0.388578 Sr\n0.948375 0.202276 0.892523 Sr\n0.946307 0.704002 0.389801 Sr\n0.950109 0.702662 0.893250 Sr\n0.303026 0.064396 0.106248 Ca\n0.302234 0.565661 0.104148 Ca\n0.803347 0.065755 0.105707 Ca\n0.055658 0.789320 0.106081 Ca\n0.112424 0.095913 0.750694 Mn\n0.111486 0.597303 0.750692 Mn\n0.611877 0.597651 0.750731 Mn\n0.361224 0.403998 0.750554 Mn\n0.354506 0.901286 0.246441 Mn\n0.361424 0.900640 0.750638 Mn\n0.862187 0.403972 0.750686 Mn\n0.861302 0.904589 0.750752 Mn\n0.007194 0.001775 0.005366 Fe\n0.004376 0.000643 0.500228 Fe\n0.006568 0.502053 0.003016 Fe\n0.003930 0.499995 0.499837 Fe\n0.506175 0.001742 0.003208 Fe\n0.503315 0.001184 0.498993 Fe\n0.504554 0.501079 0.002014 Fe\n0.503728 0.499354 0.499576 Fe\n0.255404 0.251264 0.002562 Fe\n0.254100 0.249589 0.500231 Fe\n0.255111 0.753006 0.003769 Fe\n0.253989 0.750127 0.499989 Fe\n0.755583 0.250826 0.001814 Fe\n0.753827 0.250019 0.499876 Fe\n0.757492 0.752859 0.004178 Fe\n0.753569 0.750225 0.500054 Fe\n0.104286 0.082923 0.245843 Fe\n0.108929 0.592677 0.249123 Fe\n0.606540 0.089229 0.247624 Fe\n0.610431 0.088445 0.750405 Fe\n0.603529 0.590164 0.248018 Fe\n0.356357 0.409395 0.247489 Fe\n0.857347 0.407390 0.249296 Fe\n0.857779 0.911331 0.247720 Fe\n0.123685 0.121907 0.491476 O\n0.127092 0.122638 0.994993 O\n0.123498 0.621518 0.491225 O\n0.126565 0.623930 0.995724 O\n0.623964 0.122536 0.491336 O\n0.627044 0.122598 0.993363 O\n0.623280 0.622015 0.491400 O\n0.625087 0.623963 0.993666 O\n0.137403 0.383223 0.013564 O\n0.131557 0.376747 0.506107 O\n0.134547 0.880602 0.013564 O\n0.131419 0.877119 0.506214 O\n0.632195 0.377303 0.008497 O\n0.631365 0.377342 0.506276 O\n0.636707 0.882092 0.011667 O\n0.630196 0.877756 0.505776 O\n0.374352 0.121346 0.493183 O\n0.375976 0.121258 0.995210 O\n0.373604 0.619640 0.490961 O\n0.374756 0.621183 0.995818 O\n0.873810 0.120108 0.491292 O\n0.874866 0.119993 0.994769 O\n0.873348 0.620110 0.491311 O\n0.878368 0.623359 0.995309 O\n0.382151 0.384502 0.012703 O\n0.380623 0.378451 0.505036 O\n0.382256 0.884594 0.011781 O\n0.382866 0.880444 0.507658 O\n0.884278 0.381497 0.010927 O\n0.881380 0.379139 0.506086 O\n0.886553 0.883496 0.014799 O\n0.880970 0.879127 0.505838 O\n0.088610 0.096594 0.139918 O\n0.075696 0.085885 0.635408 O\n0.086332 0.603701 0.141186 O\n0.075409 0.585817 0.635721 O\n0.589174 0.094981 0.139332 O\n0.583980 0.095344 0.640671 O\n0.583710 0.596634 0.139805 O\n0.575166 0.585593 0.635578 O\n0.441446 0.406320 0.357630 O\n0.439176 0.414395 0.865727 O\n0.435087 0.917287 0.361762 O\n0.440341 0.913636 0.866029 O\n0.940853 0.404573 0.359317 O\n0.942013 0.414929 0.865948 O\n0.941250 0.907008 0.357869 O\n0.939632 0.914087 0.865652 O\n0.332764 0.284014 0.142006 O\n0.325331 0.300270 0.635856 O\n0.325649 0.790040 0.136074 O\n0.324824 0.798669 0.635257 O\n0.831603 0.287067 0.141079 O\n0.826619 0.300528 0.635844 O\n0.834940 0.792692 0.140161 O\n0.824441 0.800480 0.635749 O\n0.188704 0.197735 0.356040 O\n0.190932 0.202072 0.866402 O\n0.191946 0.705072 0.359496 O\n0.190008 0.701119 0.865903 O\n0.687910 0.203135 0.357943 O\n0.694383 0.205432 0.860463 O\n0.685945 0.703996 0.357915 O\n0.691616 0.701669 0.865726 O\n0.432903 0.052083 0.240473 O\n0.441695 0.059568 0.750624 O\n0.426427 0.560566 0.240839 O\n0.441994 0.562229 0.750872 O\n0.927629 0.062218 0.241541 O\n0.940046 0.059742 0.750739 O\n0.937501 0.557320 0.248544 O\n0.942159 0.562387 0.750794 O\n0.185899 0.440569 0.249237 O\n0.191663 0.438789 0.750463 O\n0.173067 0.925532 0.241832 O\n0.190348 0.936515 0.750735 O\n0.685753 0.440623 0.249596 O\n0.693013 0.440758 0.750526 O\n0.686228 0.938719 0.249734 O\n0.683714 0.933928 0.750559 O\n",
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"elements": [
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"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.690298681677042,
"density_atomic": 0.07169186034628793,
"volume": 2008.5962242358808,
"volume_molar": 8.400034161356249,
"formula_full": "Sr28 Ca4 Mn8 Fe24 O80",
"formula_reduced": "Sr7CaMn2(Fe3O10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1073.62430806,
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"updated_at": "2021-11-28T01:35:27.529000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:39:15.667877Z",
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{
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{
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"updated_at": "2021-11-28T01:35:36.016000Z",
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},
{
"id": "mp-600072",
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}
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}