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{
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{
"id": "mp-756211",
"created_at": "2022-09-04T14:40:26.356194Z",
"structure_string": "V2 Co3 Te3 O16\n1.0\n3.061163 5.355892 0.000000\n-3.061163 5.355892 0.000000\n0.000000 0.235780 9.212379\nV Co Te O\n2 3 3 16\ndirect\n0.681267 0.681267 0.494294 V\n0.357883 0.357883 0.037613 V\n0.826752 0.826752 0.795022 Co\n0.171193 0.670344 0.300553 Co\n0.670344 0.171193 0.300553 Co\n0.328491 0.825950 0.785317 Te\n0.825950 0.328491 0.785317 Te\n0.171496 0.171496 0.288407 Te\n0.352460 0.842134 0.398578 O\n0.514271 0.514271 0.659240 O\n0.646935 0.646935 0.904877 O\n0.002577 0.002577 0.675104 O\n0.010103 0.010103 0.199292 O\n0.842134 0.352460 0.398578 O\n0.506819 0.944563 0.665451 O\n0.944563 0.506819 0.665451 O\n0.154766 0.154766 0.892983 O\n0.824314 0.824314 0.406280 O\n0.052710 0.464462 0.149299 O\n0.464462 0.052710 0.149299 O\n0.325584 0.325584 0.397705 O\n0.172405 0.669208 0.893288 O\n0.482234 0.482234 0.148877 O\n0.669208 0.172405 0.893288 O\n",
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"formula_full": "V2 Co3 Te3 O16",
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"energy": -166.44405036,
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},
{
"id": "mp-757881",
"created_at": "2022-09-04T14:39:17.594037Z",
"structure_string": "Co3 Cu3 Te2 O16\n1.0\n5.736534 0.000000 0.000000\n-2.822976 5.095936 0.000000\n-0.007593 -0.493507 9.190961\nCo Cu Te O\n3 3 2 16\ndirect\n0.829866 0.658366 0.786370 Co\n0.660370 0.830781 0.286733 Co\n0.165798 0.825675 0.289819 Co\n0.825825 0.160055 0.787574 Cu\n0.329379 0.163170 0.787865 Cu\n0.166654 0.333443 0.287312 Cu\n0.676255 0.349121 0.511760 Te\n0.335166 0.659119 0.011275 Te\n0.829122 0.162522 0.408729 O\n0.512620 0.046313 0.651307 O\n0.668158 0.348038 0.879163 O\n0.990792 0.977432 0.695644 O\n0.991173 0.985467 0.194825 O\n0.326596 0.166983 0.403193 O\n0.977905 0.504136 0.656389 O\n0.541427 0.525715 0.646518 O\n0.156860 0.309544 0.908599 O\n0.842084 0.677050 0.398400 O\n0.501079 0.527614 0.155593 O\n0.036793 0.518448 0.160118 O\n0.340654 0.676387 0.385427 O\n0.660904 0.823042 0.908117 O\n0.480347 0.959659 0.168401 O\n0.154375 0.811920 0.915146 O\n",
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"elements": [
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"Cu",
"Te",
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],
"chemical_system": "Co-Cu-O-Te",
"density": 5.430248058170417,
"density_atomic": 0.08932577264809956,
"volume": 268.67945597905344,
"volume_molar": 6.741772930108681,
"formula_full": "Co3 Cu3 Te2 O16",
"formula_reduced": "Co3Cu3(TeO8)2",
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"energy": -144.67214516,
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"updated_at": "2021-11-28T01:34:43.144000Z",
"spacegroup": 1
},
{
"id": "mp-778794",
"created_at": "2022-09-04T14:39:22.232652Z",
"structure_string": "V3 Cr2 Sb3 O16\n1.0\n3.029810 5.317124 0.000000\n-3.029810 5.317124 0.000000\n0.000000 0.004716 9.114697\nV Cr Sb O\n3 2 3 16\ndirect\n0.831681 0.831681 0.792219 V\n0.166722 0.666317 0.291329 V\n0.666317 0.166722 0.291329 V\n0.669497 0.669497 0.510668 Cr\n0.338764 0.338764 0.015386 Cr\n0.334046 0.830993 0.788653 Sb\n0.830993 0.334046 0.788653 Sb\n0.168618 0.168618 0.290351 Sb\n0.335384 0.829521 0.393439 O\n0.521284 0.521284 0.653573 O\n0.659585 0.659585 0.909025 O\n0.002820 0.002820 0.678441 O\n0.999477 0.999477 0.187624 O\n0.829521 0.335384 0.393439 O\n0.519718 0.951269 0.661907 O\n0.951269 0.519718 0.661907 O\n0.166006 0.166006 0.900548 O\n0.834558 0.834558 0.388983 O\n0.051548 0.480727 0.161092 O\n0.480727 0.051548 0.161092 O\n0.333232 0.333232 0.404525 O\n0.169911 0.666726 0.894208 O\n0.471206 0.471206 0.171640 O\n0.666726 0.169911 0.894208 O\n",
"nsites": 24,
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-O-Sb-V",
"density": 4.965034602860382,
"density_atomic": 0.08172347531454345,
"volume": 293.6732671686685,
"volume_molar": 7.3689239680783665,
"formula_full": "V3 Cr2 Sb3 O16",
"formula_reduced": "V3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -189.15662619,
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"energy_above_hull": null,
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"band_gap": 0.8810999999999996,
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"spacegroup": 8
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{
"id": "mp-1190916",
"created_at": "2022-09-04T14:48:22.646056Z",
"structure_string": "Ag2 Te3 Mo3 O16\n1.0\n5.775109 5.253162 0.000000\n-5.775109 5.253162 0.000000\n0.000000 4.611362 5.973648\nAg Te Mo O\n2 3 3 16\ndirect\n0.096037 0.903963 0.500000 Ag\n0.532189 0.467811 0.000000 Ag\n0.593987 0.406013 0.500000 Te\n0.977463 0.469843 0.998535 Te\n0.530157 0.022537 0.001465 Te\n0.615577 0.937577 0.466966 Mo\n0.062423 0.384423 0.533034 Mo\n0.999498 0.000502 0.000000 Mo\n0.865120 0.457620 0.437878 O\n0.542380 0.134880 0.562122 O\n0.718230 0.489998 0.162083 O\n0.510002 0.281770 0.837917 O\n0.938534 0.521931 0.753546 O\n0.478069 0.061466 0.246454 O\n0.878881 0.183344 0.159330 O\n0.816656 0.121119 0.840670 O\n0.749684 0.865800 0.609153 O\n0.134200 0.250316 0.390847 O\n0.394357 0.738803 0.650266 O\n0.261197 0.605643 0.349734 O\n0.737294 0.832648 0.259664 O\n0.167352 0.262706 0.740336 O\n0.149637 0.961557 0.127306 O\n0.038443 0.850363 0.872694 O\n",
"nsites": 24,
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Ag-Mo-O-Te",
"density": 5.23355103629832,
"density_atomic": 0.06621564875281102,
"volume": 362.45208575383987,
"volume_molar": 9.094739496521727,
"formula_full": "Ag2 Te3 Mo3 O16",
"formula_reduced": "Ag2Te3Mo3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -164.36909351999998,
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"updated_at": "2021-11-28T01:38:51.045000Z",
"spacegroup": 5
},
{
"id": "mp-756917",
"created_at": "2022-09-04T14:39:31.442214Z",
"structure_string": "Mn3 Cr2 Te3 O16\n1.0\n3.088939 5.316989 0.000000\n-3.088939 5.316989 0.000000\n0.000000 0.219749 8.957819\nMn Cr Te O\n3 2 3 16\ndirect\n0.175797 0.175797 0.786192 Mn\n0.341138 0.831923 0.290220 Mn\n0.831923 0.341138 0.290220 Mn\n0.324573 0.324573 0.508034 Cr\n0.663434 0.663434 0.022576 Cr\n0.176310 0.672490 0.793612 Te\n0.672490 0.176310 0.793612 Te\n0.838222 0.838222 0.297566 Te\n0.174554 0.664125 0.399510 O\n0.474180 0.474180 0.636455 O\n0.311729 0.311729 0.910090 O\n0.012925 0.012925 0.678850 O\n0.008140 0.008140 0.188047 O\n0.664125 0.174554 0.399510 O\n0.054387 0.457684 0.656103 O\n0.457684 0.054387 0.656103 O\n0.826981 0.826981 0.907451 O\n0.166780 0.166780 0.391013 O\n0.516039 0.943801 0.160120 O\n0.943801 0.516039 0.160120 O\n0.654387 0.654387 0.401063 O\n0.346580 0.839430 0.895405 O\n0.526221 0.526221 0.167072 O\n0.839430 0.346580 0.895405 O\n",
"nsites": 24,
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"elements": [
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"Cr",
"Te",
"O"
],
"chemical_system": "Cr-Mn-O-Te",
"density": 5.121941925133804,
"density_atomic": 0.08156500540525335,
"volume": 294.2438350951698,
"volume_molar": 7.38324080293892,
"formula_full": "Mn3 Cr2 Te3 O16",
"formula_reduced": "Mn3Cr2Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -173.71891358,
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"updated_at": "2021-11-28T01:34:32.836000Z",
"spacegroup": 8
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{
"id": "mp-772328",
"created_at": "2022-09-04T14:48:07.803068Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n2.876499 5.002808 0.000000\n-2.876499 5.002808 0.000000\n0.000000 0.313538 8.848572\nMn Fe Co O\n2 3 3 16\ndirect\n0.666997 0.666997 0.516649 Mn\n0.331017 0.331017 0.014993 Mn\n0.834687 0.834687 0.789584 Fe\n0.169381 0.668630 0.290345 Fe\n0.668630 0.169381 0.290345 Fe\n0.334385 0.833716 0.791462 Co\n0.833716 0.334385 0.791462 Co\n0.168910 0.168910 0.292783 Co\n0.337306 0.839130 0.399847 O\n0.521463 0.521463 0.670342 O\n0.663669 0.663669 0.898475 O\n0.005461 0.005461 0.683514 O\n0.008924 0.008924 0.184502 O\n0.839130 0.337306 0.399847 O\n0.513075 0.958676 0.659658 O\n0.958676 0.513075 0.659658 O\n0.163148 0.163148 0.890041 O\n0.830343 0.830343 0.400391 O\n0.039815 0.467327 0.157292 O\n0.467327 0.039815 0.157292 O\n0.328699 0.328699 0.401290 O\n0.169118 0.670003 0.898188 O\n0.477916 0.477916 0.148195 O\n0.670003 0.169118 0.898188 O\n",
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"formula_full": "Mn2 Fe3 Co3 O16",
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"spacegroup": 8
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{
"id": "mp-774607",
"created_at": "2022-09-04T14:39:43.508572Z",
"structure_string": "Mn3 Ni2 Te3 O16\n1.0\n3.024263 5.338513 0.000000\n-3.024263 5.338513 0.000000\n0.000000 0.194451 9.137930\nMn Ni Te O\n3 2 3 16\ndirect\n0.832325 0.832325 0.784862 Mn\n0.165215 0.664579 0.289671 Mn\n0.664579 0.165215 0.289671 Mn\n0.674364 0.674364 0.490894 Ni\n0.345096 0.345096 0.020869 Ni\n0.333931 0.831812 0.787264 Te\n0.831812 0.333931 0.787264 Te\n0.166462 0.166462 0.287691 Te\n0.322897 0.844460 0.397303 O\n0.518821 0.518821 0.661930 O\n0.645416 0.645416 0.913212 O\n0.017928 0.017928 0.668655 O\n0.007862 0.007862 0.179087 O\n0.844460 0.322897 0.397303 O\n0.509585 0.958920 0.672379 O\n0.958920 0.509585 0.672379 O\n0.158902 0.158902 0.900107 O\n0.843107 0.843107 0.392473 O\n0.040437 0.479471 0.164748 O\n0.479471 0.040437 0.164748 O\n0.322615 0.322615 0.403876 O\n0.168165 0.681700 0.890141 O\n0.476189 0.476189 0.178446 O\n0.681700 0.168165 0.890141 O\n",
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"formula_full": "Mn3 Ni2 Te3 O16",
"formula_reduced": "Mn3Ni2Te3O16",
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{
"id": "mp-755884",
"created_at": "2022-09-04T14:46:28.080433Z",
"structure_string": "Mn3 Co2 Te3 O16\n1.0\n3.037592 5.352929 0.000000\n-3.037592 5.352929 0.000000\n0.000000 0.122234 9.199691\nMn Co Te O\n3 2 3 16\ndirect\n0.832326 0.832326 0.786541 Mn\n0.164770 0.664724 0.289410 Mn\n0.664724 0.164770 0.289410 Mn\n0.675331 0.675331 0.484993 Co\n0.346269 0.346269 0.017996 Co\n0.334861 0.831459 0.787353 Te\n0.831459 0.334861 0.787353 Te\n0.166624 0.166624 0.286965 Te\n0.322752 0.845523 0.396077 O\n0.518129 0.518129 0.664017 O\n0.646682 0.646682 0.912658 O\n0.016410 0.016410 0.670903 O\n0.006477 0.006477 0.180728 O\n0.845523 0.322752 0.396077 O\n0.508387 0.956998 0.674371 O\n0.956998 0.508387 0.674371 O\n0.159562 0.159562 0.900564 O\n0.843505 0.843505 0.391975 O\n0.040407 0.478889 0.165455 O\n0.478889 0.040407 0.165455 O\n0.323989 0.323989 0.402316 O\n0.170600 0.681845 0.890704 O\n0.474194 0.474194 0.178411 O\n0.681845 0.170600 0.890704 O\n",
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"formula_full": "Mn3 Co2 Te3 O16",
"formula_reduced": "Mn3Co2Te3O16",
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"spacegroup": 8
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{
"id": "mp-771910",
"created_at": "2022-09-04T14:46:25.113004Z",
"structure_string": "Ti2 Mn3 Co3 O16\n1.0\n2.848835 4.910709 0.000000\n-2.848835 4.910709 0.000000\n0.000000 0.127235 9.024976\nTi Mn Co O\n2 3 3 16\ndirect\n0.665201 0.665201 0.504862 Ti\n0.333260 0.333260 0.003184 Ti\n0.832799 0.832799 0.786547 Mn\n0.168620 0.664200 0.286116 Mn\n0.664200 0.168620 0.286116 Mn\n0.337295 0.832841 0.787707 Co\n0.832841 0.337295 0.787707 Co\n0.168449 0.168449 0.288172 Co\n0.330096 0.838405 0.398902 O\n0.520020 0.520020 0.672133 O\n0.665618 0.665618 0.895634 O\n0.002675 0.002675 0.683038 O\n0.001430 0.001430 0.181445 O\n0.838405 0.330096 0.398902 O\n0.516234 0.961989 0.666680 O\n0.961989 0.516234 0.666680 O\n0.162698 0.162698 0.894775 O\n0.832736 0.832736 0.401849 O\n0.037692 0.476375 0.167377 O\n0.476375 0.037692 0.167377 O\n0.333342 0.333342 0.396793 O\n0.168733 0.667269 0.899543 O\n0.481874 0.481874 0.163304 O\n0.667269 0.168733 0.899543 O\n",
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"formula_full": "Ti2 Mn3 Co3 O16",
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},
{
"id": "mp-776119",
"created_at": "2022-09-04T14:46:19.466829Z",
"structure_string": "Ti3 Mn2 Cr3 O16\n1.0\n5.864879 0.000000 0.000000\n-2.925783 5.113718 0.000000\n-0.096701 -0.109528 8.945215\nTi Mn Cr O\n3 2 3 16\ndirect\n0.675843 0.825659 0.704849 Ti\n0.829577 0.164881 0.210556 Ti\n0.830010 0.665260 0.211934 Ti\n0.663694 0.333757 0.483064 Mn\n0.333860 0.664027 0.981784 Mn\n0.331612 0.165125 0.200121 Cr\n0.165354 0.331188 0.699758 Cr\n0.181390 0.835409 0.716352 Cr\n0.826073 0.174064 0.608082 O\n0.949064 0.473869 0.347001 O\n0.674047 0.336576 0.096005 O\n0.000474 0.000769 0.313288 O\n0.005976 0.997915 0.811386 O\n0.825652 0.658041 0.602014 O\n0.520595 0.051555 0.341402 O\n0.519399 0.470030 0.340805 O\n0.653834 0.826104 0.104937 O\n0.338851 0.178649 0.605841 O\n0.473433 0.525276 0.839013 O\n0.469958 0.952332 0.845421 O\n0.326261 0.673285 0.598470 O\n0.177770 0.343058 0.106415 O\n0.050283 0.521001 0.839889 O\n0.176992 0.831973 0.107334 O\n",
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"elements": [
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],
"chemical_system": "Cr-Mn-O-Ti",
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"density_atomic": 0.0894591210817017,
"volume": 268.27896037656296,
"volume_molar": 6.731723593058853,
"formula_full": "Ti3 Mn2 Cr3 O16",
"formula_reduced": "Ti3Mn2Cr3O16",
"formula_anonymous": "A2B3C3D16",
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"energy_per_atom": -8.686829394166667,
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{
"id": "mp-755599",
"created_at": "2022-09-04T14:47:07.950713Z",
"structure_string": "Cr3 Sn3 Sb2 O16\n1.0\n3.083342 5.353893 0.000000\n-3.083342 5.353893 0.000000\n0.000000 0.154584 9.354953\nCr Sn Sb O\n3 3 2 16\ndirect\n0.827712 0.827712 0.213138 Cr\n0.168776 0.658381 0.715989 Cr\n0.658381 0.168776 0.715989 Cr\n0.335201 0.829312 0.211635 Sn\n0.829312 0.335201 0.211635 Sn\n0.167695 0.167695 0.703449 Sn\n0.672853 0.672853 0.494760 Sb\n0.338519 0.338519 0.988018 Sb\n0.343545 0.823962 0.600341 O\n0.522761 0.522761 0.353336 O\n0.671884 0.671884 0.099995 O\n0.992761 0.992761 0.308776 O\n0.988581 0.988581 0.793553 O\n0.823962 0.343545 0.600341 O\n0.532149 0.955686 0.342197 O\n0.955686 0.532149 0.342197 O\n0.172301 0.172301 0.094588 O\n0.830635 0.830635 0.606677 O\n0.049342 0.487508 0.842417 O\n0.487508 0.049342 0.842417 O\n0.344289 0.344289 0.606705 O\n0.166695 0.657851 0.100153 O\n0.476970 0.476970 0.834131 O\n0.657851 0.166695 0.100153 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cr-O-Sb-Sn",
"density": 5.438852081293655,
"density_atomic": 0.07770487211607564,
"volume": 308.86094200308014,
"volume_molar": 7.7500169500364375,
"formula_full": "Cr3 Sn3 Sb2 O16",
"formula_reduced": "Cr3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -175.94457417,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:55.026000Z",
"spacegroup": 8
},
{
"id": "mp-772635",
"created_at": "2022-09-04T14:47:07.710549Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.684546 -0.015463 -0.034088\n-2.855664 4.945843 -0.000151\n-0.054235 -0.031557 8.800629\nMn Cr Co O\n3 2 3 16\ndirect\n0.664202 0.832113 0.212109 Mn\n0.833502 0.664156 0.712218 Mn\n0.833506 0.169361 0.712218 Mn\n0.334916 0.667457 0.487769 Cr\n0.664678 0.332360 0.990246 Cr\n0.167934 0.832309 0.208990 Co\n0.167911 0.335628 0.208972 Co\n0.334085 0.167047 0.707772 Co\n0.170547 0.838915 0.603343 O\n0.045416 0.522712 0.331054 O\n0.328428 0.664232 0.100343 O\n0.006768 0.003397 0.316446 O\n0.003990 0.002018 0.818629 O\n0.170558 0.331640 0.603347 O\n0.474264 0.959008 0.337435 O\n0.474238 0.515265 0.337423 O\n0.330525 0.165270 0.106723 O\n0.662259 0.831124 0.599461 O\n0.515342 0.472724 0.836669 O\n0.515326 0.042629 0.836660 O\n0.665700 0.332839 0.599727 O\n0.837101 0.666364 0.103498 O\n0.961708 0.480882 0.841174 O\n0.837096 0.170753 0.103493 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Cr-Mn-O",
"density": 4.716183955183491,
"density_atomic": 0.09715509444399642,
"volume": 247.02770490161416,
"volume_molar": 6.198481710571927,
"formula_full": "Mn3 Cr2 Co3 O16",
"formula_reduced": "Mn3Cr2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -182.51779168,
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"energy_uncorrected": -157.60979168,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:52.726000Z",
"spacegroup": 8
}
]
}