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{
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{
"id": "mp-1046140",
"created_at": "2022-09-04T14:42:01.105254Z",
"structure_string": "Ta8 Zn8 Ni4 O32\n1.0\n5.273529 0.008024 -0.001527\n-0.008652 5.654376 -1.738390\n0.085631 5.637729 18.389258\nTa Zn Ni O\n8 8 4 32\ndirect\n0.731070 0.159129 0.113283 Ta\n0.731046 0.659131 0.613287 Ta\n0.764557 0.658284 0.386702 Ta\n0.764538 0.158279 0.886711 Ta\n0.264467 0.342931 0.386699 Ta\n0.264454 0.842927 0.886709 Ta\n0.231187 0.844298 0.113359 Ta\n0.231164 0.344296 0.613362 Ta\n0.768044 0.155065 0.281908 Zn\n0.768051 0.655071 0.781929 Zn\n0.728055 0.655478 0.217887 Zn\n0.728065 0.155473 0.717908 Zn\n0.228180 0.347486 0.218230 Zn\n0.228186 0.847487 0.718252 Zn\n0.268184 0.846214 0.282294 Zn\n0.268190 0.346205 0.782316 Zn\n0.748040 0.140074 0.499950 Ni\n0.248210 0.862447 0.499976 Ni\n0.748010 0.639991 0.999935 Ni\n0.248195 0.362585 0.999982 Ni\n0.069658 0.118436 0.068172 O\n0.069487 0.618387 0.568120 O\n0.426487 0.617820 0.431894 O\n0.426468 0.117798 0.931872 O\n0.926292 0.383250 0.431923 O\n0.926275 0.883281 0.931882 O\n0.569703 0.884629 0.068024 O\n0.569684 0.384609 0.567983 O\n0.583819 0.378492 0.057636 O\n0.583825 0.878474 0.557647 O\n0.912070 0.877482 0.442340 O\n0.912076 0.377487 0.942353 O\n0.412297 0.123983 0.442206 O\n0.412302 0.623966 0.942218 O\n0.084415 0.624715 0.057717 O\n0.084426 0.124730 0.557728 O\n0.430040 0.104025 0.176492 O\n0.430012 0.604068 0.676489 O\n0.065471 0.602814 0.323532 O\n0.065359 0.102716 0.823514 O\n0.929548 0.898960 0.176440 O\n0.929553 0.398915 0.676409 O\n0.565182 0.398022 0.323401 O\n0.565113 0.898084 0.823389 O\n0.356413 0.651275 0.193106 O\n0.356533 0.151280 0.693080 O\n0.139077 0.149158 0.307171 O\n0.139121 0.649199 0.807139 O\n0.639747 0.852194 0.307076 O\n0.639884 0.352128 0.807055 O\n0.857231 0.352616 0.192997 O\n0.857249 0.852664 0.692983 O\n",
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"elements": [
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"Zn",
"Ni",
"O"
],
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"density": 7.520849261311811,
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"volume": 600.0248756606283,
"volume_molar": 6.948912039865003,
"formula_full": "Ta8 Zn8 Ni4 O32",
"formula_reduced": "Ta2Zn2NiO8",
"formula_anonymous": "AB2C2D8",
"energy": -418.19553914,
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"updated_at": "2021-11-28T01:35:34.284000Z",
"spacegroup": 15
},
{
"id": "mp-1046115",
"created_at": "2022-09-04T14:42:01.462333Z",
"structure_string": "Ta8 Zn8 Fe4 O32\n1.0\n-0.006983 5.685872 -1.751339\n-10.624990 -0.023957 -0.009871\n-5.257613 5.684196 8.439281\nTa Zn Fe O\n8 8 4 32\ndirect\n0.041866 0.017840 0.230478 Ta\n0.040830 0.517832 0.230838 Ta\n0.271898 0.732309 0.768655 Ta\n0.272262 0.232349 0.768670 Ta\n0.958252 0.982342 0.768619 Ta\n0.957652 0.481849 0.769029 Ta\n0.728269 0.267671 0.230650 Ta\n0.728048 0.767612 0.231224 Ta\n0.870418 0.832960 0.563167 Zn\n0.870339 0.332947 0.563309 Zn\n0.436024 0.917826 0.434899 Zn\n0.435774 0.417675 0.434966 Zn\n0.128962 0.167277 0.435927 Zn\n0.128681 0.667163 0.436289 Zn\n0.564277 0.082797 0.563781 Zn\n0.564098 0.582625 0.564072 Zn\n0.646669 0.626428 0.000600 Fe\n0.352790 0.875940 0.000496 Fe\n0.647069 0.125607 0.000457 Fe\n0.352067 0.376228 0.000562 Fe\n0.045246 0.395602 0.138810 O\n0.046069 0.894354 0.139699 O\n0.180894 0.854642 0.858766 O\n0.180827 0.354278 0.859043 O\n0.959558 0.604264 0.858931 O\n0.960038 0.104636 0.858676 O\n0.814442 0.144420 0.139471 O\n0.814265 0.645057 0.139224 O\n0.311762 0.144316 0.118994 O\n0.310992 0.644235 0.119845 O\n0.437164 0.610332 0.881392 O\n0.439203 0.110527 0.880043 O\n0.680329 0.860931 0.880363 O\n0.680232 0.359556 0.880728 O\n0.568679 0.393712 0.119208 O\n0.569667 0.894269 0.119207 O\n0.926956 0.106895 0.354068 O\n0.926012 0.606664 0.354569 O\n0.281312 0.143354 0.644411 O\n0.281250 0.643174 0.644637 O\n0.719734 0.856738 0.354506 O\n0.719497 0.356686 0.354220 O\n0.072076 0.893081 0.644733 O\n0.072143 0.393285 0.644659 O\n0.456049 0.126988 0.386638 O\n0.455677 0.626972 0.386701 O\n0.843726 0.123997 0.611296 O\n0.843428 0.623752 0.611762 O\n0.543137 0.873747 0.611685 O\n0.543131 0.373930 0.611363 O\n0.157621 0.876844 0.386705 O\n0.157264 0.376864 0.386699 O\n",
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"elements": [
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"Zn",
"Fe",
"O"
],
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"density": 7.293616950071366,
"density_atomic": 0.08439850728157698,
"volume": 616.1246410023992,
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"formula_full": "Ta8 Zn8 Fe4 O32",
"formula_reduced": "Ta2Zn2FeO8",
"formula_anonymous": "AB2C2D8",
"energy": -431.87801206,
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"updated_at": "2021-11-28T01:35:35.894000Z",
"spacegroup": 15
},
{
"id": "mp-1662022",
"created_at": "2022-09-04T14:42:59.036530Z",
"structure_string": "Ta8 Zn8 Cr4 O32\n1.0\n-0.063516 5.797589 -1.624843\n-0.051089 0.219577 10.141138\n10.570978 -0.120666 -0.106723\nTa Zn Cr O\n8 8 4 32\ndirect\n0.279245 0.236080 0.363357 Ta\n0.279284 0.235992 0.863344 Ta\n0.029808 0.765829 0.386083 Ta\n0.029930 0.765863 0.886087 Ta\n0.718310 0.764260 0.134236 Ta\n0.718326 0.764300 0.634193 Ta\n0.967579 0.234502 0.111489 Ta\n0.967577 0.234527 0.611530 Ta\n0.435467 0.564785 0.382416 Zn\n0.435482 0.564766 0.882408 Zn\n0.868705 0.441846 0.364479 Zn\n0.868719 0.441846 0.864487 Zn\n0.561831 0.435464 0.115166 Zn\n0.561803 0.435503 0.615188 Zn\n0.128834 0.558354 0.133136 Zn\n0.128848 0.558385 0.633134 Zn\n0.643728 0.997699 0.875232 Cr\n0.354014 0.002423 0.621950 Cr\n0.643812 0.998095 0.375100 Cr\n0.353889 0.002431 0.122258 Cr\n0.201820 0.145755 0.029417 O\n0.201700 0.145769 0.529384 O\n0.017223 0.852239 0.222060 O\n0.017215 0.852274 0.722085 O\n0.795838 0.854639 0.468151 O\n0.795827 0.854571 0.968156 O\n0.980250 0.148094 0.275515 O\n0.980243 0.148095 0.775509 O\n0.439221 0.117263 0.292843 O\n0.439176 0.117148 0.792791 O\n0.286693 0.878067 0.462734 O\n0.286631 0.878064 0.962895 O\n0.558374 0.883271 0.204563 O\n0.558246 0.883250 0.704452 O\n0.711083 0.122264 0.034488 O\n0.711063 0.122355 0.534484 O\n0.286570 0.360984 0.213629 O\n0.286577 0.360945 0.713642 O\n0.918823 0.641141 0.034178 O\n0.918822 0.641159 0.534195 O\n0.078931 0.359359 0.463569 O\n0.078892 0.359311 0.963563 O\n0.710733 0.639493 0.284051 O\n0.710721 0.639542 0.784047 O\n0.842930 0.387778 0.178241 O\n0.842926 0.387825 0.678255 O\n0.450500 0.612877 0.069593 O\n0.450483 0.612904 0.569599 O\n0.154142 0.612341 0.319394 O\n0.154141 0.612349 0.819396 O\n0.547130 0.387395 0.428027 O\n0.547126 0.387358 0.927995 O\n",
"nsites": 52,
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"elements": [
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"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ta-Zn",
"density": 7.147249118995582,
"density_atomic": 0.08317800126719309,
"volume": 625.1652986101476,
"volume_molar": 7.240064281726426,
"formula_full": "Ta8 Zn8 Cr4 O32",
"formula_reduced": "Ta2Zn2CrO8",
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"energy": -439.58386912,
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"updated_at": "2021-11-28T01:36:07.261000Z",
"spacegroup": 2
},
{
"id": "mp-1046160",
"created_at": "2022-09-04T14:46:30.575554Z",
"structure_string": "Ta8 Zn8 Co4 O32\n1.0\n-5.298952 5.669943 -1.735874\n0.042700 0.000692 10.102295\n5.272842 5.676468 -1.745349\nTa Zn Co O\n8 8 4 32\ndirect\n0.769204 0.227506 0.500391 Ta\n0.268802 0.227665 0.000846 Ta\n0.638328 0.771527 0.404374 Ta\n0.138065 0.771522 0.904490 Ta\n0.231274 0.771168 0.497293 Ta\n0.731137 0.771436 0.997551 Ta\n0.362077 0.227394 0.593720 Ta\n0.861935 0.227100 0.093455 Ta\n0.833122 0.563681 0.602471 Zn\n0.333078 0.563885 0.102480 Zn\n0.071127 0.435836 0.799576 Zn\n0.571241 0.435613 0.299643 Zn\n0.167151 0.434966 0.395756 Zn\n0.667208 0.435190 0.895794 Zn\n0.929127 0.563227 0.198469 Zn\n0.429099 0.563059 0.698543 Zn\n0.444814 0.999568 0.196088 Co\n0.054805 0.999131 0.302409 Co\n0.945431 0.999494 0.694585 Co\n0.554542 0.999392 0.803252 Co\n0.057002 0.137452 0.126685 O\n0.556808 0.136690 0.625603 O\n0.808753 0.861836 0.237934 O\n0.308423 0.861991 0.737575 O\n0.943249 0.862002 0.872174 O\n0.442925 0.861373 0.370746 O\n0.191618 0.136975 0.760571 O\n0.691720 0.136838 0.260173 O\n0.922435 0.115220 0.508837 O\n0.421377 0.114844 0.009961 O\n0.702635 0.883817 0.614063 O\n0.201914 0.882442 0.115001 O\n0.078040 0.883338 0.488604 O\n0.578505 0.884147 0.989089 O\n0.296473 0.116610 0.383570 O\n0.797509 0.115137 0.883643 O\n0.923821 0.353485 0.354483 O\n0.423988 0.353328 0.854289 O\n0.429215 0.645906 0.496451 O\n0.928808 0.645586 0.996184 O\n0.571393 0.353197 0.501860 O\n0.071200 0.353140 0.001646 O\n0.076490 0.645374 0.643859 O\n0.576484 0.645411 0.143662 O\n0.241852 0.385711 0.599496 O\n0.741814 0.385524 0.099367 O\n0.157444 0.612942 0.297952 O\n0.657572 0.613374 0.797878 O\n0.758571 0.613418 0.398798 O\n0.258531 0.613401 0.898816 O\n0.842628 0.385452 0.700373 O\n0.342869 0.385814 0.200264 O\n",
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"volume": 605.910244183459,
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"formula_full": "Ta8 Zn8 Co4 O32",
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"updated_at": "2021-11-28T01:37:35.483000Z",
"spacegroup": 15
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{
"id": "mp-1042413",
"created_at": "2022-09-04T14:46:28.401061Z",
"structure_string": "Ta8 Zn8 Bi8 O40\n1.0\n5.345027 0.000000 0.000000\n0.000000 10.705105 0.000000\n0.000000 0.000000 16.129701\nTa Zn Bi O\n8 8 8 40\ndirect\n0.975130 0.373337 0.412068 Ta\n0.524870 0.873337 0.587932 Ta\n0.024870 0.626663 0.587932 Ta\n0.475130 0.126663 0.412068 Ta\n0.024870 0.126663 0.912068 Ta\n0.975130 0.873337 0.087932 Ta\n0.524870 0.373337 0.912068 Ta\n0.475130 0.626663 0.087932 Ta\n0.496874 0.370708 0.547201 Zn\n0.996874 0.129292 0.547201 Zn\n0.996874 0.629292 0.952799 Zn\n0.003126 0.370708 0.047201 Zn\n0.503126 0.129292 0.047201 Zn\n0.003126 0.870708 0.452799 Zn\n0.503126 0.629292 0.452799 Zn\n0.496874 0.870708 0.952799 Zn\n0.015903 0.856237 0.778937 Bi\n0.984097 0.143763 0.221063 Bi\n0.484097 0.356237 0.221063 Bi\n0.984097 0.643763 0.278937 Bi\n0.515903 0.143763 0.721063 Bi\n0.515903 0.643763 0.778937 Bi\n0.484097 0.856237 0.278937 Bi\n0.015903 0.356237 0.721063 Bi\n0.848642 0.310831 0.310702 O\n0.277341 0.029757 0.962019 O\n0.222659 0.529757 0.037981 O\n0.356204 0.795603 0.848203 O\n0.143796 0.295603 0.151797 O\n0.848642 0.810831 0.189298 O\n0.143796 0.795603 0.348203 O\n0.651358 0.810831 0.689298 O\n0.277341 0.529757 0.537981 O\n0.151358 0.689169 0.689298 O\n0.651358 0.310831 0.810702 O\n0.718070 0.223716 0.473267 O\n0.777341 0.970243 0.537981 O\n0.643796 0.704397 0.348203 O\n0.174774 0.003316 0.132011 O\n0.777341 0.470243 0.962019 O\n0.151358 0.189169 0.810702 O\n0.856204 0.204397 0.651797 O\n0.218070 0.776284 0.026733 O\n0.222659 0.029757 0.462019 O\n0.281930 0.776284 0.526733 O\n0.825226 0.996684 0.867989 O\n0.643796 0.204397 0.151797 O\n0.674774 0.996684 0.367989 O\n0.281930 0.276284 0.973267 O\n0.218070 0.276284 0.473267 O\n0.722659 0.470243 0.462019 O\n0.722659 0.970243 0.037981 O\n0.674774 0.496684 0.132011 O\n0.781930 0.723716 0.526733 O\n0.781930 0.223716 0.973267 O\n0.718070 0.723716 0.026733 O\n0.825226 0.496684 0.632011 O\n0.856204 0.704397 0.848203 O\n0.356204 0.295603 0.651797 O\n0.174774 0.503316 0.367989 O\n0.325226 0.503316 0.867989 O\n0.348642 0.189169 0.310702 O\n0.325226 0.003316 0.632011 O\n0.348642 0.689169 0.189298 O\n",
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],
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"volume": 922.926575486025,
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"formula_full": "Ta8 Zn8 Bi8 O40",
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{
"id": "mp-17765",
"created_at": "2022-09-04T14:43:17.573711Z",
"structure_string": "Ta8 Zn4 O24\n1.0\n4.761627 0.000000 0.000000\n0.000000 5.115575 0.000000\n0.000000 0.000000 17.362771\nTa Zn O\n8 4 24\ndirect\n0.500000 0.750000 0.944227 Ta\n0.000000 0.250000 0.555773 Ta\n0.500000 0.250000 0.055773 Ta\n0.000000 0.750000 0.444227 Ta\n0.000000 0.250000 0.219243 Ta\n0.500000 0.750000 0.280757 Ta\n0.000000 0.750000 0.780757 Ta\n0.500000 0.250000 0.719243 Ta\n0.000000 0.750000 0.101772 Zn\n0.500000 0.250000 0.398228 Zn\n0.000000 0.250000 0.898228 Zn\n0.500000 0.750000 0.601772 Zn\n0.759859 0.427766 0.788185 O\n0.259859 0.572234 0.711815 O\n0.740141 0.927766 0.711815 O\n0.240141 0.072234 0.788185 O\n0.240141 0.572234 0.211815 O\n0.740141 0.427766 0.288185 O\n0.259859 0.072234 0.288185 O\n0.759859 0.927766 0.211815 O\n0.770294 0.898932 0.871867 O\n0.270294 0.101068 0.628133 O\n0.729706 0.398932 0.628133 O\n0.229706 0.601068 0.871867 O\n0.783182 0.428040 0.464631 O\n0.283182 0.571960 0.035369 O\n0.716818 0.928040 0.035369 O\n0.216818 0.071960 0.464631 O\n0.216818 0.571960 0.535369 O\n0.716818 0.428040 0.964631 O\n0.283182 0.071960 0.964631 O\n0.783182 0.928040 0.535369 O\n0.770294 0.398932 0.128133 O\n0.270294 0.601068 0.371867 O\n0.729706 0.898932 0.371867 O\n0.229706 0.101068 0.128133 O\n",
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],
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"volume": 422.93036359628627,
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"formula_full": "Ta8 Zn4 O24",
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"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:36:10.109000Z",
"spacegroup": 60
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