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{
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"results": [
{
"id": "mp-1025200",
"created_at": "2022-09-04T14:45:16.486976Z",
"structure_string": "Eu2 Ti1 O4\n1.0\n-1.958922 1.958922 6.216644\n1.958922 -1.958922 6.216644\n1.958922 1.958922 -6.216644\nEu Ti O\n2 1 4\ndirect\n0.355417 0.355417 0.000000 Eu\n0.644583 0.644583 0.000000 Eu\n0.000000 0.000000 0.000000 Ti\n0.163509 0.163509 0.000000 O\n0.836491 0.836491 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 95.42238707645235,
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{
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"structure_string": "Al8 P8 N4 O44\n1.0\n9.683078 0.000000 0.000000\n0.000000 9.613696 0.000000\n0.000000 5.802239 9.833886\nAl P N O\n8 8 4 44\ndirect\n0.787836 0.265311 0.910533 Al\n0.712164 0.265311 0.410533 Al\n0.212164 0.734689 0.089467 Al\n0.287836 0.734689 0.589467 Al\n0.987212 0.021344 0.867974 Al\n0.512788 0.021344 0.367974 Al\n0.012788 0.978656 0.132026 Al\n0.487212 0.978656 0.632026 Al\n0.210884 0.853822 0.785132 P\n0.289116 0.853822 0.285132 P\n0.789116 0.146178 0.214868 P\n0.710884 0.146178 0.714868 P\n0.047853 0.392126 0.745116 P\n0.452147 0.392126 0.245116 P\n0.952147 0.607874 0.254884 P\n0.547853 0.607874 0.754884 P\n0.251408 0.361467 0.982425 N\n0.248592 0.361467 0.482425 N\n0.748592 0.638533 0.017575 N\n0.751408 0.638533 0.517575 N\n0.058118 0.234204 0.748318 O\n0.441882 0.234204 0.248318 O\n0.941882 0.765796 0.251682 O\n0.558118 0.765796 0.751682 O\n0.920757 0.424341 0.805002 O\n0.579243 0.424341 0.305002 O\n0.079243 0.575659 0.194998 O\n0.420757 0.575659 0.694998 O\n0.070787 0.930675 0.779551 O\n0.429213 0.930675 0.279551 O\n0.929213 0.069325 0.220449 O\n0.570787 0.069325 0.720449 O\n0.905120 0.093347 0.977623 O\n0.594880 0.093347 0.477623 O\n0.094880 0.906653 0.022377 O\n0.405120 0.906653 0.522377 O\n0.519022 0.124723 0.002808 O\n0.980978 0.124723 0.502808 O\n0.480978 0.875277 0.997192 O\n0.019022 0.875277 0.497192 O\n0.159195 0.299806 0.960847 O\n0.340805 0.299806 0.460847 O\n0.840805 0.700194 0.039153 O\n0.659194 0.700194 0.539153 O\n0.143926 0.523363 0.659577 O\n0.356074 0.523363 0.159577 O\n0.856074 0.476637 0.340423 O\n0.643926 0.476637 0.840423 O\n0.198024 0.746721 0.719918 O\n0.301976 0.746721 0.219918 O\n0.801976 0.253279 0.280082 O\n0.698024 0.253279 0.780082 O\n0.253148 0.739710 0.936243 O\n0.246852 0.739710 0.436243 O\n0.746852 0.260290 0.063757 O\n0.753148 0.260290 0.563757 O\n0.322502 0.982975 0.708718 O\n0.177498 0.982975 0.208718 O\n0.677498 0.017025 0.291282 O\n0.822502 0.017025 0.791282 O\n0.076083 0.118011 0.434206 O\n0.423917 0.118011 0.934206 O\n0.923917 0.881989 0.565794 O\n0.576083 0.881989 0.065794 O\n",
"nsites": 64,
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"elements": [
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"P",
"N",
"O"
],
"chemical_system": "Al-N-O-P",
"density": 2.2196002942720874,
"density_atomic": 0.06991188137050078,
"volume": 915.4381021564772,
"volume_molar": 8.613901731646195,
"formula_full": "Al8 P8 N4 O44",
"formula_reduced": "Al2P2NO11",
"formula_anonymous": "AB2C2D11",
"energy": -442.55331323,
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"band_gap": 0.4633999999999998,
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"updated_at": "2021-11-28T01:37:03.734000Z",
"spacegroup": 14
},
{
"id": "mp-757201",
"created_at": "2022-09-04T14:45:16.398810Z",
"structure_string": "Li4 Fe3 O8\n1.0\n5.108603 -2.782416 0.000000\n5.108603 2.782416 0.000000\n3.593152 0.000000 4.574814\nLi Fe O\n4 3 8\ndirect\n0.999099 0.999099 0.999099 Li\n0.499132 0.001962 0.001962 Li\n0.001962 0.499132 0.001962 Li\n0.001962 0.001962 0.499132 Li\n0.987894 0.507060 0.507060 Fe\n0.507060 0.987894 0.507060 Fe\n0.507060 0.507060 0.987894 Fe\n0.747212 0.747212 0.747212 O\n0.722424 0.242360 0.242360 O\n0.242360 0.722424 0.242360 O\n0.262231 0.262231 0.262231 O\n0.242360 0.242360 0.722424 O\n0.272244 0.752977 0.752977 O\n0.752977 0.272244 0.752977 O\n0.752977 0.752977 0.272244 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Fe-Li-O",
"density": 4.127806755872923,
"density_atomic": 0.11533566016279988,
"volume": 130.05517962811356,
"volume_molar": 5.221403988583895,
"formula_full": "Li4 Fe3 O8",
"formula_reduced": "Li4Fe3O8",
"formula_anonymous": "A3B4C8",
"energy": -96.89978356,
"energy_per_atom": -6.4599855706666665,
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"updated_at": "2021-11-28T01:36:58.714000Z",
"spacegroup": 160
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{
"id": "mp-30895",
"created_at": "2022-09-04T14:45:16.403206Z",
"structure_string": "Ba12 Mn10 O32\n1.0\n2.900756 -6.649284 0.000000\n2.900756 6.649284 0.000000\n0.000000 0.000000 20.620658\nBa Mn O\n12 10 32\ndirect\n0.355738 0.644262 0.977544 Ba\n0.644262 0.355738 0.022456 Ba\n0.144262 0.855738 0.477544 Ba\n0.855738 0.144262 0.522456 Ba\n0.087209 0.912791 0.678624 Ba\n0.912791 0.087209 0.321376 Ba\n0.412791 0.587209 0.178624 Ba\n0.587209 0.412791 0.821376 Ba\n0.379273 0.620727 0.664180 Ba\n0.620727 0.379273 0.335820 Ba\n0.120727 0.879273 0.164180 Ba\n0.879273 0.120727 0.835820 Ba\n0.122879 0.877121 0.906429 Mn\n0.877121 0.122879 0.093571 Mn\n0.377121 0.622879 0.406429 Mn\n0.622879 0.377121 0.593571 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.249552 0.750448 0.810923 Mn\n0.750448 0.249552 0.189077 Mn\n0.250448 0.749552 0.310923 Mn\n0.749552 0.250448 0.689077 Mn\n0.489464 0.943587 0.383926 O\n0.943587 0.489464 0.616074 O\n0.010536 0.556413 0.883926 O\n0.556413 0.010536 0.116074 O\n0.510536 0.056413 0.616074 O\n0.056413 0.510536 0.383926 O\n0.989464 0.443587 0.116074 O\n0.443587 0.989464 0.883926 O\n0.758207 0.795585 0.068832 O\n0.795585 0.758207 0.931168 O\n0.741793 0.704415 0.568832 O\n0.704415 0.741793 0.431168 O\n0.241793 0.204415 0.931168 O\n0.204415 0.241793 0.068832 O\n0.258207 0.295585 0.431168 O\n0.295585 0.258207 0.568832 O\n0.146716 0.853284 0.000289 O\n0.853284 0.146716 0.999711 O\n0.353284 0.646716 0.500289 O\n0.646716 0.353284 0.499711 O\n0.089576 0.910424 0.816332 O\n0.910424 0.089576 0.183668 O\n0.488272 0.011728 0.750000 O\n0.011728 0.488272 0.250000 O\n0.511728 0.988272 0.250000 O\n0.988272 0.511728 0.750000 O\n0.887650 0.112350 0.686471 O\n0.112350 0.887650 0.313529 O\n0.612350 0.387650 0.186471 O\n0.387650 0.612350 0.813529 O\n0.589576 0.410424 0.683668 O\n0.410424 0.589576 0.316332 O\n",
"nsites": 54,
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"elements": [
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],
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"density": 5.655685263075578,
"density_atomic": 0.06788520954205626,
"volume": 795.4604598597565,
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"formula_full": "Ba12 Mn10 O32",
"formula_reduced": "Ba6Mn5O16",
"formula_anonymous": "A5B6C16",
"energy": -409.23053968,
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"band_gap": 1.2141000000000002,
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"updated_at": "2021-11-28T01:36:59.084000Z",
"spacegroup": 64
},
{
"id": "mp-556356",
"created_at": "2022-09-04T14:45:16.408110Z",
"structure_string": "Na4 Sr2 Al8 Si8 O32\n1.0\n-4.278267 4.983988 8.463048\n4.278267 -4.983988 8.463048\n4.278267 4.983988 -8.463048\nNa Sr Al Si O\n4 2 8 8 32\ndirect\n0.580406 0.362772 0.133860 Na\n0.728912 0.862772 0.782366 Na\n0.080406 0.946546 0.217634 Na\n0.228912 0.446546 0.866140 Na\n0.654031 0.654031 0.000000 Sr\n0.154031 0.154031 0.000000 Sr\n0.372402 0.994090 0.239703 Al\n0.760459 0.088041 0.227240 Al\n0.254387 0.494090 0.621688 Al\n0.360801 0.588041 0.327582 Al\n0.260459 0.033219 0.672418 Al\n0.860801 0.533219 0.772760 Al\n0.754387 0.132699 0.760297 Al\n0.872402 0.632699 0.378312 Al\n0.553057 0.761854 0.318362 Si\n0.053057 0.734695 0.791203 Si\n0.943492 0.261854 0.208797 Si\n0.443492 0.234695 0.681638 Si\n0.444636 0.821562 0.774696 Si\n0.046866 0.669940 0.225304 Si\n0.546866 0.321562 0.376926 Si\n0.944636 0.169940 0.623074 Si\n0.418588 0.393479 0.268225 O\n0.125254 0.150363 0.731775 O\n0.416928 0.623467 0.224742 O\n0.342157 0.972162 0.816641 O\n0.625254 0.893479 0.974891 O\n0.842157 0.025516 0.369995 O\n0.458297 0.757933 0.594749 O\n0.940842 0.655556 0.280298 O\n0.875258 0.155556 0.714714 O\n0.375258 0.660544 0.719702 O\n0.163184 0.863548 0.405251 O\n0.389018 0.416699 0.740505 O\n0.898725 0.123467 0.206539 O\n0.351946 0.074267 0.433559 O\n0.633007 0.282766 0.801740 O\n0.889018 0.148513 0.972319 O\n0.655521 0.472162 0.630005 O\n0.676194 0.648513 0.259495 O\n0.981026 0.782766 0.649759 O\n0.663184 0.257933 0.299636 O\n0.958297 0.363548 0.700364 O\n0.851946 0.418387 0.277679 O\n0.140708 0.574267 0.722321 O\n0.918588 0.650363 0.025109 O\n0.440842 0.160544 0.285286 O\n0.155521 0.525516 0.183359 O\n0.176194 0.916699 0.027681 O\n0.916928 0.692186 0.793461 O\n0.398725 0.192186 0.775258 O\n0.640708 0.918387 0.566441 O\n0.133007 0.331267 0.350241 O\n0.481026 0.831267 0.198260 O\n",
"nsites": 54,
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"elements": [
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],
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"volume": 721.8245821571488,
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"formula_full": "Na4 Sr2 Al8 Si8 O32",
"formula_reduced": "Na2SrAl4(SiO4)4",
"formula_anonymous": "AB2C4D4E16",
"energy": -418.39363457,
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"spacegroup": 45
},
{
"id": "mp-1233090",
"created_at": "2022-09-04T14:45:16.409448Z",
"structure_string": "Ca1 Mn4 Ag4 O16\n1.0\n5.596707 -0.276372 0.034731\n-0.607614 8.008648 0.196465\n0.060313 0.232785 8.608695\nCa Mn Ag O\n1 4 4 16\ndirect\n0.700876 0.455708 0.185951 Ca\n0.774218 0.103356 0.297427 Mn\n0.266230 0.642779 0.206853 Mn\n0.733323 0.367494 0.791213 Mn\n0.227790 0.879997 0.698486 Mn\n0.279721 0.102646 0.047559 Ag\n0.704202 0.699190 0.517143 Ag\n0.244064 0.320720 0.509790 Ag\n0.715506 0.878631 0.953157 Ag\n0.909684 0.037728 0.138358 O\n0.515522 0.186136 0.241051 O\n0.260760 0.037471 0.572423 O\n0.280940 0.494438 0.083645 O\n0.763706 0.516173 0.916766 O\n0.491758 0.821776 0.743397 O\n0.742301 0.971765 0.450059 O\n0.061816 0.720883 0.628983 O\n0.581680 0.198144 0.876578 O\n0.093601 0.935818 0.857566 O\n0.422118 0.821431 0.131940 O\n0.993542 0.322963 0.734499 O\n0.987262 0.672689 0.255487 O\n0.585058 0.430697 0.638311 O\n0.938293 0.290234 0.340798 O\n0.423948 0.572613 0.362247 O\n",
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"volume": 384.1328518918263,
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"formula_full": "Ca1 Mn4 Ag4 O16",
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{
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"created_at": "2022-09-04T14:45:16.514830Z",
"structure_string": "K2 Li1 Sc1 F6\n1.0\n0.000000 4.144804 4.144804\n4.144804 0.000000 4.144804\n4.144804 4.144804 0.000000\nK Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.245587 0.245587 0.754413 F\n0.245587 0.754413 0.754413 F\n0.754413 0.754413 0.245587 F\n0.245587 0.754413 0.245587 F\n0.754413 0.245587 0.754413 F\n0.754413 0.245587 0.245587 F\n",
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"volume": 142.41049331999082,
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"formula_full": "K2 Li1 Sc1 F6",
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{
"id": "mp-1232253",
"created_at": "2022-09-04T14:45:16.412716Z",
"structure_string": "Ce6 Mg6 S18\n1.0\n6.845610 0.000000 0.000000\n-3.422805 5.928472 0.000000\n0.000000 0.000000 17.554691\nCe Mg S\n6 6 18\ndirect\n0.000000 0.000000 0.353852 Ce\n0.000000 0.000000 0.646148 Ce\n0.666667 0.333333 0.687185 Ce\n0.666667 0.333333 0.979481 Ce\n0.333333 0.666667 0.020519 Ce\n0.333333 0.666667 0.312815 Ce\n0.000000 0.000000 0.154026 Mg\n0.000000 0.000000 0.845974 Mg\n0.666667 0.333333 0.487359 Mg\n0.666667 0.333333 0.179307 Mg\n0.333333 0.666667 0.820693 Mg\n0.333333 0.666667 0.512641 Mg\n0.975687 0.350082 0.583279 S\n0.024313 0.649918 0.416721 S\n0.649918 0.625605 0.583279 S\n0.350082 0.374395 0.416721 S\n0.374395 0.024313 0.583279 S\n0.625605 0.975687 0.416721 S\n0.642354 0.683415 0.916612 S\n0.690980 0.983251 0.750054 S\n0.316585 0.958938 0.916612 S\n0.016749 0.707728 0.750054 S\n0.041062 0.357646 0.916612 S\n0.292272 0.309020 0.750054 S\n0.309020 0.016749 0.249946 S\n0.357646 0.316585 0.083388 S\n0.983251 0.292272 0.249946 S\n0.683415 0.041062 0.083388 S\n0.707728 0.690980 0.249946 S\n0.958938 0.642354 0.083388 S\n",
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"volume": 712.4397060768083,
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"formula_full": "Ce6 Mg6 S18",
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