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"results": [
{
"id": "mp-777481",
"created_at": "2022-09-04T14:43:49.356145Z",
"structure_string": "Ba24 Y4 Br60\n1.0\n12.351807 0.000000 0.000000\n0.000000 16.614598 0.000000\n0.000000 6.275665 22.718465\nBa Y Br\n24 4 60\ndirect\n0.627222 0.248231 0.883825 Ba\n0.122661 0.243173 0.880588 Ba\n0.872045 0.605950 0.942977 Ba\n0.372860 0.608555 0.962367 Ba\n0.381303 0.990436 0.909728 Ba\n0.868237 0.980789 0.916196 Ba\n0.368237 0.519211 0.583804 Ba\n0.881303 0.509564 0.590272 Ba\n0.872860 0.891445 0.537633 Ba\n0.372045 0.894050 0.557023 Ba\n0.622661 0.256827 0.619412 Ba\n0.127222 0.251769 0.616175 Ba\n0.872778 0.748231 0.383825 Ba\n0.377339 0.743173 0.380588 Ba\n0.627955 0.105950 0.442977 Ba\n0.127140 0.108555 0.462367 Ba\n0.118697 0.490436 0.409728 Ba\n0.631763 0.480789 0.416196 Ba\n0.131763 0.019211 0.083804 Ba\n0.618697 0.009564 0.090272 Ba\n0.627140 0.391445 0.037633 Ba\n0.127955 0.394050 0.057023 Ba\n0.877339 0.756827 0.119412 Ba\n0.372778 0.751769 0.116175 Ba\n0.127372 0.587103 0.780416 Y\n0.627372 0.912897 0.719584 Y\n0.372628 0.087103 0.280416 Y\n0.872628 0.412897 0.219584 Y\n0.631574 0.594289 0.999965 Br\n0.875202 0.181967 0.884195 Br\n0.374365 0.190435 0.885824 Br\n0.114180 0.589090 0.993202 Br\n0.368971 0.796181 0.972210 Br\n0.882734 0.782708 0.976709 Br\n0.116679 0.445189 0.869746 Br\n0.641297 0.432432 0.895756 Br\n0.126898 0.259798 0.747102 Br\n0.969591 0.682628 0.814352 Br\n0.283949 0.668389 0.826923 Br\n0.625400 0.028226 0.944602 Br\n0.124537 0.028757 0.936191 Br\n0.469103 0.941730 0.796014 Br\n0.781660 0.925293 0.802912 Br\n0.281660 0.574707 0.697088 Br\n0.969103 0.558270 0.703986 Br\n0.624537 0.471243 0.563809 Br\n0.125400 0.471774 0.555398 Br\n0.783949 0.831611 0.673077 Br\n0.469591 0.817372 0.685648 Br\n0.626898 0.240202 0.752898 Br\n0.141297 0.067568 0.604244 Br\n0.616679 0.054811 0.630254 Br\n0.382734 0.717292 0.523291 Br\n0.868971 0.703819 0.527790 Br\n0.614180 0.910910 0.506798 Br\n0.874365 0.309565 0.614176 Br\n0.375202 0.318033 0.615805 Br\n0.131574 0.905711 0.500035 Br\n0.868426 0.094289 0.499965 Br\n0.624798 0.681967 0.384195 Br\n0.125635 0.690435 0.385824 Br\n0.385820 0.089090 0.493202 Br\n0.131029 0.296181 0.472210 Br\n0.617266 0.282708 0.476709 Br\n0.383321 0.945189 0.369746 Br\n0.858703 0.932432 0.395756 Br\n0.373102 0.759798 0.247102 Br\n0.530409 0.182628 0.314352 Br\n0.216051 0.168389 0.326923 Br\n0.874600 0.528226 0.444602 Br\n0.375463 0.528757 0.436191 Br\n0.030897 0.441730 0.296014 Br\n0.718340 0.425293 0.302912 Br\n0.218340 0.074707 0.197088 Br\n0.530897 0.058270 0.203986 Br\n0.875463 0.971243 0.063809 Br\n0.374600 0.971774 0.055398 Br\n0.716051 0.331611 0.173077 Br\n0.030409 0.317372 0.185648 Br\n0.873102 0.740202 0.252898 Br\n0.358703 0.567568 0.104244 Br\n0.883321 0.554811 0.130254 Br\n0.117266 0.217292 0.023291 Br\n0.631029 0.203819 0.027790 Br\n0.885820 0.410910 0.006798 Br\n0.625635 0.809565 0.114176 Br\n0.124798 0.818033 0.115805 Br\n0.368426 0.405711 0.000035 Br\n",
"nsites": 88,
"nelements": 3,
"elements": [
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"Y",
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],
"chemical_system": "Ba-Br-Y",
"density": 3.00805667952145,
"density_atomic": 0.018874843219327787,
"volume": 4662.2903818288805,
"volume_molar": 31.905646526554165,
"formula_full": "Ba24 Y4 Br60",
"formula_reduced": "Ba6YBr15",
"formula_anonymous": "AB6C15",
"energy": -384.17710412,
"energy_per_atom": -4.365648910454546,
"energy_above_hull": null,
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"energy_uncorrected": -352.13710412,
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"updated_at": "2021-11-28T01:36:23.517000Z",
"spacegroup": 14
},
{
"id": "mp-1188658",
"created_at": "2022-09-04T14:43:49.480925Z",
"structure_string": "Tm10 Ga6\n1.0\n4.254840 -7.369600 0.000000\n4.254840 7.369600 0.000000\n0.000000 0.000000 6.406621\nTm Ga\n10 6\ndirect\n0.666667 0.333333 0.000000 Tm\n0.333333 0.666667 0.000000 Tm\n0.333333 0.666667 0.500000 Tm\n0.666667 0.333333 0.500000 Tm\n0.756211 0.756211 0.750000 Tm\n0.243789 0.000000 0.750000 Tm\n0.000000 0.243789 0.750000 Tm\n0.243789 0.243789 0.250000 Tm\n0.756211 0.000000 0.250000 Tm\n0.000000 0.756211 0.250000 Tm\n0.398754 0.398754 0.750000 Ga\n0.601246 0.000000 0.750000 Ga\n0.000000 0.601246 0.750000 Ga\n0.601246 0.601246 0.250000 Ga\n0.398754 0.000000 0.250000 Ga\n0.000000 0.398754 0.250000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ga-Tm",
"density": 8.710991986745073,
"density_atomic": 0.039822984462615195,
"volume": 401.7780238198971,
"volume_molar": 15.122273835737833,
"formula_full": "Tm10 Ga6",
"formula_reduced": "Tm5Ga3",
"formula_anonymous": "A3B5",
"energy": -70.62493105,
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"updated_at": "2021-11-28T01:36:20.363000Z",
"spacegroup": 193
},
{
"id": "mp-1214188",
"created_at": "2022-09-04T14:43:49.540304Z",
"structure_string": "Ce8 Ta12 Se8 O32\n1.0\n7.664158 0.000000 0.000000\n0.000000 10.018366 0.000000\n0.000000 0.000000 12.000618\nCe Ta Se O\n8 12 8 32\ndirect\n0.000000 0.227531 0.351119 Ce\n0.000000 0.772469 0.648881 Ce\n0.500000 0.272469 0.851119 Ce\n0.500000 0.727531 0.148881 Ce\n0.000000 0.711619 0.155924 Ce\n0.000000 0.288381 0.844076 Ce\n0.500000 0.788381 0.655924 Ce\n0.500000 0.211619 0.344076 Ce\n0.249760 0.364535 0.083822 Ta\n0.750240 0.635465 0.916178 Ta\n0.249760 0.635465 0.916178 Ta\n0.250240 0.135465 0.583822 Ta\n0.750240 0.364535 0.083822 Ta\n0.749760 0.864535 0.416178 Ta\n0.250240 0.864535 0.416178 Ta\n0.749760 0.135465 0.583822 Ta\n0.213723 0.000000 0.000000 Ta\n0.786277 0.000000 0.000000 Ta\n0.286277 0.500000 0.500000 Ta\n0.713723 0.500000 0.500000 Ta\n0.000000 0.018789 0.164331 Se\n0.000000 0.981211 0.835669 Se\n0.500000 0.481211 0.664331 Se\n0.500000 0.518789 0.335669 Se\n0.000000 0.522626 0.360913 Se\n0.000000 0.477374 0.639087 Se\n0.500000 0.977374 0.860913 Se\n0.500000 0.022626 0.139087 Se\n0.000000 0.365929 0.051627 O\n0.000000 0.634071 0.948373 O\n0.500000 0.134071 0.551627 O\n0.500000 0.865929 0.448373 O\n0.246760 0.286590 0.224758 O\n0.753240 0.713410 0.775242 O\n0.246760 0.713410 0.775242 O\n0.253240 0.213410 0.724758 O\n0.753240 0.286590 0.224758 O\n0.746760 0.786590 0.275242 O\n0.253240 0.786590 0.275242 O\n0.746760 0.213410 0.724758 O\n0.000000 0.148738 0.549524 O\n0.000000 0.851262 0.450476 O\n0.500000 0.351262 0.049524 O\n0.500000 0.648738 0.950476 O\n0.262880 0.302379 0.475915 O\n0.737120 0.697621 0.524085 O\n0.262880 0.697621 0.524085 O\n0.237120 0.197621 0.975915 O\n0.737120 0.302379 0.475915 O\n0.762880 0.802379 0.024085 O\n0.237120 0.802379 0.024085 O\n0.762880 0.197621 0.975915 O\n0.245461 0.056915 0.397114 O\n0.754539 0.943085 0.602886 O\n0.245461 0.943085 0.602886 O\n0.254539 0.443085 0.897114 O\n0.754539 0.056915 0.397114 O\n0.745461 0.556915 0.102886 O\n0.254539 0.556915 0.102886 O\n0.745461 0.443085 0.897114 O\n",
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"elements": [
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"Se",
"O"
],
"chemical_system": "Ce-O-Se-Ta",
"density": 7.9941463213618515,
"density_atomic": 0.0651157872772611,
"volume": 921.43553059601,
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"formula_full": "Ce8 Ta12 Se8 O32",
"formula_reduced": "Ce2Ta3(SeO4)2",
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"spacegroup": 58
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{
"id": "mp-1177782",
"created_at": "2022-09-04T14:43:48.944313Z",
"structure_string": "Li4 V2 Fe6 O16\n1.0\n2.983043 -5.166782 0.000000\n2.983043 5.166782 0.000000\n0.000000 0.000000 9.512184\nLi V Fe O\n4 2 6 16\ndirect\n0.333333 0.666667 0.903474 Li\n0.000000 0.000000 0.990498 Li\n0.000000 0.000000 0.490498 Li\n0.666667 0.333333 0.403474 Li\n0.333333 0.666667 0.495949 V\n0.666667 0.333333 0.995949 V\n0.173125 0.826874 0.217477 Fe\n0.173126 0.346251 0.217477 Fe\n0.653749 0.826874 0.217477 Fe\n0.346251 0.173125 0.717477 Fe\n0.826874 0.653749 0.717477 Fe\n0.826874 0.173126 0.717477 Fe\n0.174531 0.825469 0.586800 O\n0.045126 0.522563 0.348090 O\n0.333333 0.666667 0.103925 O\n0.000000 0.000000 0.299702 O\n0.000000 0.000000 0.799702 O\n0.174531 0.349062 0.586800 O\n0.477437 0.954874 0.348090 O\n0.477437 0.522563 0.348090 O\n0.349062 0.174531 0.086800 O\n0.650938 0.825469 0.586800 O\n0.522563 0.477437 0.848090 O\n0.522563 0.045126 0.848090 O\n0.666667 0.333333 0.603925 O\n0.825469 0.650938 0.086800 O\n0.954874 0.477437 0.848090 O\n0.825469 0.174531 0.086800 O\n",
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"formula_full": "Li4 V2 Fe6 O16",
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"spacegroup": 186
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{
"id": "mp-691106",
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"structure_string": "Mn2 Sn2 O6\n1.0\n-4.791300 0.000696 2.613496\n0.010077 0.007035 5.715688\n-3.109303 4.487024 0.000041\nMn Sn O\n2 2 6\ndirect\n0.271848 0.592192 0.864082 Mn\n0.272300 0.091523 0.363842 Mn\n0.704560 0.443046 0.147726 Sn\n0.704444 0.943128 0.647784 Sn\n0.197686 0.238402 0.771173 O\n0.532906 0.238089 0.031183 O\n0.792935 0.238420 0.435935 O\n0.197626 0.738496 0.531082 O\n0.532922 0.738191 0.935946 O\n0.792774 0.738515 0.271247 O\n",
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{
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"created_at": "2022-09-04T14:43:49.388861Z",
"structure_string": "Ca2 Ni2 P4 O14\n1.0\n-6.459497 0.000000 0.000000\n0.851037 6.504878 0.000000\n-0.310669 -2.671629 -6.127979\nCa Ni P O\n2 2 4 14\ndirect\n0.142886 0.271020 0.825910 Ca\n0.857114 0.728980 0.174090 Ca\n0.352322 0.099821 0.223511 Ni\n0.647678 0.900179 0.776489 Ni\n0.856657 0.228501 0.248362 P\n0.143343 0.771499 0.751638 P\n0.373518 0.642484 0.331898 P\n0.626482 0.357516 0.668102 P\n0.222118 0.610267 0.520377 O\n0.777882 0.389733 0.479623 O\n0.027333 0.100810 0.279458 O\n0.972667 0.899190 0.720542 O\n0.410541 0.253743 0.561550 O\n0.589459 0.746257 0.438450 O\n0.625004 0.598919 0.838207 O\n0.374996 0.401081 0.161793 O\n0.067930 0.616097 0.862619 O\n0.932070 0.383903 0.137381 O\n0.330734 0.949767 0.867034 O\n0.669266 0.050233 0.132966 O\n0.726911 0.205365 0.746142 O\n0.273089 0.794635 0.253858 O\n",
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{
"id": "mp-1224309",
"created_at": "2022-09-04T14:43:49.621762Z",
"structure_string": "Hf1 Ga2 Ag1\n1.0\n4.205804 0.000000 0.000000\n0.000000 4.205804 0.000000\n0.000000 0.000000 3.990453\nHf Ga Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ag\n",
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{
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{
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