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{
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"results": [
{
"id": "mp-775968",
"created_at": "2022-09-04T14:40:31.475929Z",
"structure_string": "Mn3 Fe3 Te2 O16\n1.0\n5.990185 0.000000 0.000000\n-2.971923 5.227803 0.000000\n-0.135034 -0.254321 9.239013\nMn Fe Te O\n3 3 2 16\ndirect\n0.344852 0.175028 0.210560 Mn\n0.174283 0.343157 0.711707 Mn\n0.168550 0.835077 0.704469 Mn\n0.839479 0.173095 0.206349 Fe\n0.837559 0.665317 0.209681 Fe\n0.664997 0.838239 0.710446 Fe\n0.666311 0.336886 0.486728 Te\n0.335700 0.666020 0.986945 Te\n0.823744 0.174816 0.600525 O\n0.950788 0.475682 0.353559 O\n0.655591 0.326405 0.106730 O\n0.016647 0.010665 0.298399 O\n0.014667 0.011945 0.797143 O\n0.819321 0.653218 0.598840 O\n0.508990 0.044023 0.342949 O\n0.509179 0.468490 0.342387 O\n0.653893 0.822732 0.098139 O\n0.352212 0.188543 0.597961 O\n0.470214 0.509894 0.842989 O\n0.474689 0.949244 0.851297 O\n0.318579 0.655699 0.610041 O\n0.182488 0.350939 0.101052 O\n0.040795 0.498514 0.847334 O\n0.176475 0.826173 0.099487 O\n",
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"elements": [
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],
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"volume": 289.3243773237271,
"volume_molar": 7.259800523095153,
"formula_full": "Mn3 Fe3 Te2 O16",
"formula_reduced": "Mn3Fe3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -177.20611783,
"energy_per_atom": -7.383588242916667,
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"updated_at": "2021-11-28T01:34:51.333000Z",
"spacegroup": 1
},
{
"id": "mp-756780",
"created_at": "2022-09-04T14:41:32.250495Z",
"structure_string": "Ti3 Mn3 Cr2 O16\n1.0\n2.936160 5.073573 0.000000\n-2.936160 5.073573 0.000000\n0.000000 0.028508 8.906889\nTi Mn Cr O\n3 3 2 16\ndirect\n0.831261 0.329644 0.209831 Ti\n0.329644 0.831261 0.209831 Ti\n0.159375 0.159375 0.707475 Ti\n0.828435 0.828435 0.209799 Mn\n0.659572 0.169801 0.710236 Mn\n0.169801 0.659572 0.710236 Mn\n0.671742 0.671742 0.487644 Cr\n0.333872 0.333872 0.985189 Cr\n0.832616 0.339427 0.602212 O\n0.526230 0.526230 0.343929 O\n0.667783 0.667783 0.097981 O\n0.995684 0.995684 0.315201 O\n0.995619 0.995619 0.815726 O\n0.339427 0.832616 0.602212 O\n0.955184 0.529158 0.339822 O\n0.529158 0.955184 0.339822 O\n0.170986 0.170986 0.104900 O\n0.828511 0.828511 0.603960 O\n0.480418 0.050074 0.840977 O\n0.050074 0.480418 0.840977 O\n0.336685 0.336685 0.600456 O\n0.655897 0.171970 0.101243 O\n0.479888 0.479888 0.834833 O\n0.171970 0.655897 0.101243 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O-Ti",
"density": 4.182485075145943,
"density_atomic": 0.09044021260604293,
"volume": 265.3686817891934,
"volume_molar": 6.658698145959047,
"formula_full": "Ti3 Mn3 Cr2 O16",
"formula_reduced": "Ti3Mn3Cr2O16",
"formula_anonymous": "A2B3C3D16",
"energy": -207.34362755,
"energy_per_atom": -8.639317814583334,
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"band_gap": 0.5051999999999999,
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"updated_at": "2021-11-28T01:35:09.793000Z",
"spacegroup": 8
},
{
"id": "mp-770898",
"created_at": "2022-09-04T14:41:16.613109Z",
"structure_string": "Ti3 Nb2 V3 O16\n1.0\n5.992611 0.000000 0.000000\n-2.942432 5.237397 0.000000\n-0.027452 -0.049934 9.419089\nTi Nb V O\n3 2 3 16\ndirect\n0.175560 0.343799 0.780692 Ti\n0.174873 0.831351 0.780939 Ti\n0.344561 0.174646 0.277604 Ti\n0.341004 0.669773 0.500637 Nb\n0.673049 0.340300 0.000867 Nb\n0.662281 0.832183 0.791072 V\n0.830730 0.173845 0.285543 V\n0.837792 0.664927 0.290700 V\n0.173732 0.345839 0.401185 O\n0.041618 0.522299 0.665775 O\n0.317881 0.658830 0.894624 O\n0.005695 0.003947 0.697103 O\n0.000634 0.015312 0.197604 O\n0.174743 0.831001 0.399180 O\n0.467485 0.514307 0.663570 O\n0.465703 0.950647 0.662992 O\n0.343180 0.171095 0.901258 O\n0.661617 0.828447 0.402056 O\n0.520969 0.043231 0.165639 O\n0.514796 0.469596 0.165274 O\n0.663072 0.313285 0.394147 O\n0.829192 0.173678 0.900433 O\n0.949037 0.468989 0.163781 O\n0.830794 0.658470 0.901607 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-Ti-V",
"density": 4.146670397255954,
"density_atomic": 0.08118405858552347,
"volume": 295.6245403119033,
"volume_molar": 7.4178858077857335,
"formula_full": "Ti3 Nb2 V3 O16",
"formula_reduced": "Ti3Nb2V3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -221.02732250000005,
"energy_per_atom": -9.209471770833336,
"energy_above_hull": null,
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"band_gap": 1.11,
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"updated_at": "2021-11-28T01:35:16.628000Z",
"spacegroup": 1
},
{
"id": "mp-770963",
"created_at": "2022-09-04T14:39:48.276951Z",
"structure_string": "V2 Ni3 Te3 O16\n1.0\n3.031181 5.271040 0.000000\n-3.031181 5.271040 0.000000\n0.000000 0.197954 9.215280\nV Ni Te O\n2 3 3 16\ndirect\n0.681349 0.681349 0.495019 V\n0.360144 0.360144 0.038849 V\n0.827243 0.827243 0.792589 Ni\n0.169274 0.668261 0.295332 Ni\n0.668261 0.169274 0.295332 Ni\n0.329023 0.826855 0.785205 Te\n0.826855 0.329023 0.785205 Te\n0.169424 0.169424 0.288398 Te\n0.346653 0.839667 0.400055 O\n0.513249 0.513249 0.660545 O\n0.650695 0.650695 0.904026 O\n0.000884 0.000884 0.675456 O\n0.010122 0.010122 0.193082 O\n0.839667 0.346653 0.400055 O\n0.504761 0.947154 0.664773 O\n0.947154 0.504761 0.664773 O\n0.157966 0.157966 0.890747 O\n0.824546 0.824546 0.407907 O\n0.050743 0.467560 0.151466 O\n0.467560 0.050743 0.151466 O\n0.323318 0.323318 0.398046 O\n0.174771 0.671983 0.896839 O\n0.484208 0.484208 0.152329 O\n0.671983 0.174771 0.896839 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"V",
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Te-V",
"density": 5.1695769993765905,
"density_atomic": 0.08150129859276331,
"volume": 294.4738355632902,
"volume_molar": 7.389012032913448,
"formula_full": "V2 Ni3 Te3 O16",
"formula_reduced": "V2Ni3Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -161.88333039000003,
"energy_per_atom": -6.745138766250001,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:34:25.468000Z",
"spacegroup": 8
},
{
"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",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Te",
"O"
],
"chemical_system": "Mn-Ni-O-Te",
"density": 5.183068616937248,
"density_atomic": 0.08133801291163174,
"volume": 295.0649904132079,
"volume_molar": 7.403845440068285,
"formula_full": "Mn3 Ni2 Te3 O16",
"formula_reduced": "Mn3Ni2Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -162.85956178,
"energy_per_atom": -6.785815074166667,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:40.621000Z",
"spacegroup": 8
},
{
"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",
"nsites": 24,
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"elements": [
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"Te",
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],
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"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-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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"O"
],
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"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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"spacegroup": 8
},
{
"id": "mp-772926",
"created_at": "2022-09-04T14:46:34.908419Z",
"structure_string": "Cr3 Sn2 Sb3 O16\n1.0\n3.077543 5.301204 0.000000\n-3.077543 5.301204 0.000000\n0.000000 0.009735 9.477583\nCr Sn Sb O\n3 2 3 16\ndirect\n0.337892 0.832058 0.789621 Cr\n0.832058 0.337892 0.789621 Cr\n0.170903 0.170903 0.288584 Cr\n0.656352 0.656352 0.520555 Sn\n0.325353 0.325353 0.993843 Sn\n0.833904 0.833904 0.787708 Sb\n0.665530 0.170063 0.285996 Sb\n0.170063 0.665530 0.285996 Sb\n0.327591 0.831990 0.393629 O\n0.518541 0.518541 0.670357 O\n0.671423 0.671423 0.894452 O\n0.998894 0.998894 0.690811 O\n0.001108 0.001108 0.185329 O\n0.831990 0.327591 0.393629 O\n0.521417 0.961938 0.661481 O\n0.961938 0.521417 0.661481 O\n0.159639 0.159639 0.897848 O\n0.834903 0.834903 0.394916 O\n0.046131 0.480650 0.167327 O\n0.480650 0.046131 0.167327 O\n0.336663 0.336663 0.399452 O\n0.160455 0.673174 0.901339 O\n0.483010 0.483010 0.161626 O\n0.673174 0.160455 0.901339 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.448430337715463,
"density_atomic": 0.07760773397793576,
"volume": 309.2475294643097,
"volume_molar": 7.7597173004846685,
"formula_full": "Cr3 Sn2 Sb3 O16",
"formula_reduced": "Cr3Sn2Sb3O16",
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"energy": -176.38843806,
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"updated_at": "2021-11-28T01:37:36.453000Z",
"spacegroup": 8
},
{
"id": "mp-756097",
"created_at": "2022-09-04T14:46:39.920750Z",
"structure_string": "Cr3 Sb3 Te2 O16\n1.0\n3.095213 5.318908 0.000000\n-3.095213 5.318908 0.000000\n0.000000 0.003330 9.964414\nCr Sb Te O\n3 3 2 16\ndirect\n0.832064 0.336779 0.211488 Cr\n0.336779 0.832064 0.211488 Cr\n0.169230 0.169230 0.710911 Cr\n0.834887 0.834887 0.212764 Sb\n0.169567 0.668925 0.714014 Sb\n0.668925 0.169567 0.714014 Sb\n0.654828 0.654828 0.472621 Te\n0.321314 0.321314 0.000909 Te\n0.842044 0.309331 0.606067 O\n0.521133 0.521133 0.331277 O\n0.669767 0.669767 0.113521 O\n0.001160 0.001160 0.305807 O\n0.002813 0.002813 0.816931 O\n0.309331 0.842044 0.606067 O\n0.956071 0.522336 0.333924 O\n0.522336 0.956071 0.333924 O\n0.163138 0.163138 0.104977 O\n0.843471 0.843471 0.611407 O\n0.482262 0.042655 0.826941 O\n0.042655 0.482262 0.826941 O\n0.335959 0.335959 0.607136 O\n0.673584 0.158352 0.109001 O\n0.488630 0.488630 0.824634 O\n0.158352 0.673584 0.109001 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 5.225489837990775,
"density_atomic": 0.07315035928554996,
"volume": 328.09134820942614,
"volume_molar": 8.23255117106391,
"formula_full": "Cr3 Sb3 Te2 O16",
"formula_reduced": "Cr3Sb3(TeO8)2",
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"energy": -170.72071137,
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"spacegroup": 8
},
{
"id": "mp-771853",
"created_at": "2022-09-04T14:46:39.804458Z",
"structure_string": "Mn3 Nb2 Cr3 O16\n1.0\n5.912733 0.000000 0.000000\n-2.921563 5.142072 0.000000\n-0.076561 -0.046855 9.304827\nMn Nb Cr O\n3 2 3 16\ndirect\n0.341854 0.171302 0.211350 Mn\n0.170477 0.338255 0.714387 Mn\n0.170673 0.832579 0.714352 Mn\n0.667204 0.335550 0.500385 Nb\n0.338613 0.669828 0.998983 Nb\n0.836833 0.175663 0.220666 Cr\n0.831939 0.662397 0.211441 Cr\n0.663345 0.831941 0.714232 Cr\n0.835172 0.170550 0.598570 O\n0.952401 0.467957 0.338151 O\n0.662517 0.322122 0.109044 O\n0.004749 0.011347 0.302178 O\n0.011003 0.005739 0.809645 O\n0.835913 0.664972 0.597802 O\n0.519117 0.043534 0.333055 O\n0.515185 0.468774 0.333539 O\n0.664430 0.836065 0.097318 O\n0.334532 0.166490 0.600644 O\n0.469298 0.513839 0.835171 O\n0.468543 0.954947 0.835221 O\n0.322768 0.661054 0.609720 O\n0.170005 0.339342 0.100315 O\n0.041470 0.521452 0.829909 O\n0.171955 0.834103 0.099641 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cr-Mn-Nb-O",
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"density_atomic": 0.08483528385106934,
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"formula_full": "Mn3 Nb2 Cr3 O16",
"formula_reduced": "Mn3Nb2Cr3O16",
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"energy_above_hull": null,
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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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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mn-O-Ti",
"density": 4.559388809660683,
"density_atomic": 0.09504377875833786,
"volume": 252.51521260558638,
"volume_molar": 6.336175643134032,
"formula_full": "Ti2 Mn3 Co3 O16",
"formula_reduced": "Ti2Mn3Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -189.3403082,
"energy_per_atom": -7.889179508333334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:35.787000Z",
"spacegroup": 8
},
{
"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",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O-Ti",
"density": 4.118904198969382,
"density_atomic": 0.0894591210817017,
"volume": 268.27896037656296,
"volume_molar": 6.731723593058853,
"formula_full": "Ti3 Mn2 Cr3 O16",
"formula_reduced": "Ti3Mn2Cr3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -208.48390546,
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"updated_at": "2021-11-28T01:37:23.662000Z",
"spacegroup": 1
}
]
}