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{
"id": "mp-1206948",
"created_at": "2022-09-04T14:45:32.547451Z",
"structure_string": "Ho2 Cu1 Sb3\n1.0\n10.238273 0.000000 0.000000\n0.000000 10.238273 0.000000\n0.000000 0.000000 40.888291\nHo Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243911 Ho\n0.500000 0.500000 0.756089 Ho\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691911 Sb\n0.500000 0.500000 0.308089 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"Sb"
],
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"density": 0.2939403207653395,
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"volume": 4286.002007983266,
"volume_molar": 430.18178982863117,
"formula_full": "Ho2 Cu1 Sb3",
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"updated_at": "2021-11-28T01:37:03.348000Z",
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},
{
"id": "mp-1094151",
"created_at": "2022-09-04T14:43:15.102573Z",
"structure_string": "Ce12 Se24\n1.0\n8.453277 -14.641505 0.000000\n8.453277 14.641505 0.000000\n0.000000 0.000000 17.308944\nCe Se\n12 24\ndirect\n0.430394 0.569606 0.104447 Ce\n0.430394 0.860788 0.104447 Ce\n0.139212 0.569606 0.104447 Ce\n0.569606 0.430394 0.895553 Ce\n0.569606 0.139212 0.895553 Ce\n0.860788 0.430394 0.895553 Ce\n0.569606 0.430394 0.604447 Ce\n0.569606 0.139212 0.604447 Ce\n0.860788 0.430394 0.604447 Ce\n0.430394 0.569606 0.395553 Ce\n0.430394 0.860788 0.395553 Ce\n0.139212 0.569606 0.395553 Ce\n0.000000 0.500000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.500000 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.505174 0.752587 0.085005 Se\n0.247413 0.752587 0.085005 Se\n0.247413 0.494826 0.085005 Se\n0.494826 0.247413 0.914995 Se\n0.752587 0.247413 0.914995 Se\n0.752587 0.505174 0.914995 Se\n0.494826 0.247413 0.585005 Se\n0.752587 0.247413 0.585005 Se\n0.752587 0.505174 0.585005 Se\n0.505174 0.752587 0.414995 Se\n0.247413 0.752587 0.414995 Se\n0.247413 0.494826 0.414995 Se\n0.930801 0.465401 0.750000 Se\n0.534599 0.465401 0.750000 Se\n0.534599 0.069199 0.750000 Se\n0.069199 0.534599 0.250000 Se\n0.465401 0.534599 0.250000 Se\n0.465401 0.930801 0.250000 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ce-Se",
"density": 1.3860780323909565,
"density_atomic": 0.008402163179904554,
"volume": 4284.610906641419,
"volume_molar": 71.67369439340513,
"formula_full": "Ce12 Se24",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -205.57627242,
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"updated_at": "2021-11-28T01:36:08.507000Z",
"spacegroup": 194
},
{
"id": "mp-600054",
"created_at": "2022-09-04T14:46:24.354530Z",
"structure_string": "Si64 O128\n1.0\n12.729156 0.000000 0.000000\n0.000000 12.729156 0.000000\n0.000000 0.000000 26.407933\nSi O\n64 128\ndirect\n0.953193 0.796337 0.055269 Si\n0.203663 0.953193 0.305269 Si\n0.796337 0.046807 0.805269 Si\n0.953193 0.203663 0.444731 Si\n0.046807 0.796337 0.944731 Si\n0.046807 0.203663 0.555269 Si\n0.796337 0.953193 0.694731 Si\n0.203663 0.046807 0.194731 Si\n0.953950 0.542497 0.055427 Si\n0.457503 0.953950 0.305427 Si\n0.542497 0.046050 0.805427 Si\n0.953950 0.457503 0.444573 Si\n0.046050 0.542497 0.944573 Si\n0.046050 0.457503 0.555427 Si\n0.542497 0.953950 0.694573 Si\n0.457503 0.046050 0.194573 Si\n0.714414 0.792317 0.058470 Si\n0.207683 0.714414 0.308470 Si\n0.792317 0.285586 0.808470 Si\n0.714414 0.207683 0.441530 Si\n0.285586 0.792317 0.941530 Si\n0.285586 0.207683 0.558470 Si\n0.792317 0.714414 0.691530 Si\n0.207683 0.285586 0.191530 Si\n0.715231 0.544685 0.059196 Si\n0.455315 0.715231 0.309196 Si\n0.544685 0.284769 0.809196 Si\n0.715231 0.455315 0.440804 Si\n0.284769 0.544685 0.940804 Si\n0.284769 0.455315 0.559196 Si\n0.544685 0.715231 0.690804 Si\n0.455315 0.284769 0.190804 Si\n0.332076 0.789071 0.058992 Si\n0.210929 0.332076 0.308992 Si\n0.789071 0.667924 0.808992 Si\n0.332076 0.210929 0.441008 Si\n0.667924 0.789071 0.941008 Si\n0.667924 0.210929 0.558992 Si\n0.789071 0.332076 0.691008 Si\n0.210929 0.667924 0.191008 Si\n0.333045 0.540329 0.058147 Si\n0.459671 0.333045 0.308147 Si\n0.540329 0.666955 0.808147 Si\n0.333045 0.459671 0.441853 Si\n0.666955 0.540329 0.941853 Si\n0.666955 0.459671 0.558147 Si\n0.540329 0.333045 0.691853 Si\n0.459671 0.666955 0.191853 Si\n0.527222 0.859650 0.125487 Si\n0.140350 0.527222 0.375487 Si\n0.859650 0.472778 0.875487 Si\n0.527222 0.140350 0.374513 Si\n0.472778 0.859650 0.874513 Si\n0.472778 0.140350 0.625487 Si\n0.859650 0.527222 0.624513 Si\n0.140350 0.472778 0.124513 Si\n0.527408 0.472592 0.125000 Si\n0.527408 0.527408 0.375000 Si\n0.472592 0.472592 0.875000 Si\n0.472592 0.527408 0.625000 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O\n0.501543 0.834446 0.310592 O\n0.498457 0.165554 0.810592 O\n0.834446 0.501543 0.439408 O\n0.165554 0.498457 0.939408 O\n0.165554 0.501543 0.560592 O\n0.498457 0.834446 0.689408 O\n0.501543 0.165554 0.189408 O\n0.000000 0.511705 0.000000 O\n0.488295 0.000000 0.250000 O\n0.511705 0.000000 0.750000 O\n0.000000 0.488295 0.500000 O\n0.025614 0.488611 0.099019 O\n0.511389 0.025614 0.349019 O\n0.488611 0.974386 0.849019 O\n0.025614 0.511389 0.400981 O\n0.974386 0.488611 0.900981 O\n0.974386 0.511389 0.599019 O\n0.488611 0.025614 0.650981 O\n0.511389 0.974386 0.150981 O\n0.642048 0.855757 0.098747 O\n0.144243 0.642048 0.348747 O\n0.855757 0.357952 0.848747 O\n0.642048 0.144243 0.401253 O\n0.357952 0.855757 0.901253 O\n0.357952 0.144243 0.598747 O\n0.855757 0.642048 0.651253 O\n0.144243 0.357952 0.151253 O\n0.717335 0.668744 0.074072 O\n0.331256 0.717335 0.324072 O\n0.668744 0.282665 0.824072 O\n0.717335 0.331256 0.425928 O\n0.282665 0.668744 0.925928 O\n0.282665 0.331256 0.574072 O\n0.668744 0.717335 0.675928 O\n0.331256 0.282665 0.175928 O\n0.664990 0.804190 0.001821 O\n0.195810 0.664990 0.251821 O\n0.804190 0.335010 0.751821 O\n0.664990 0.195810 0.498179 O\n0.335010 0.804190 0.998179 O\n0.335010 0.195810 0.501821 O\n0.804190 0.664990 0.748179 O\n0.195810 0.335010 0.248179 O\n0.643576 0.482830 0.100184 O\n0.517170 0.643576 0.350184 O\n0.482830 0.356424 0.850184 O\n0.643576 0.517170 0.399816 O\n0.356424 0.482830 0.899816 O\n0.356424 0.517170 0.600184 O\n0.482830 0.643576 0.649816 O\n0.517170 0.356424 0.149816 O\n0.665373 0.528964 0.002848 O\n0.471036 0.665373 0.252848 O\n0.528964 0.334627 0.752848 O\n0.665373 0.471036 0.497152 O\n0.334627 0.528964 0.997152 O\n0.334627 0.471036 0.502848 O\n0.528964 0.665373 0.747152 O\n0.471036 0.334627 0.247152 O\n0.436989 0.840631 0.082766 O\n0.159369 0.436989 0.332766 O\n0.840631 0.563011 0.832766 O\n0.436989 0.159369 0.417234 O\n0.563011 0.840631 0.917234 O\n0.563011 0.159369 0.582766 O\n0.840631 0.436989 0.667234 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"elements": [
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"O"
],
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"density": 1.4923010686095928,
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"volume": 4278.914684464813,
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"formula_full": "Si64 O128",
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"energy": -1604.34586957,
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"updated_at": "2021-11-28T01:37:30.154000Z",
"spacegroup": 91
},
{
"id": "mp-680446",
"created_at": "2022-09-04T14:45:27.024221Z",
"structure_string": "Cu36 P48 Se48 Br36\n1.0\n6.507259 0.000000 0.000000\n0.000000 19.288221 0.000000\n0.000000 0.075720 34.061192\nCu P Se Br\n36 48 48 36\ndirect\n0.739011 0.124101 0.070205 Cu\n0.965068 0.123219 0.735392 Cu\n0.272827 0.675924 0.646196 Cu\n0.239011 0.875899 0.929795 Cu\n0.234877 0.696125 0.858403 Cu\n0.748981 0.828279 0.532202 Cu\n0.752334 0.801786 0.985753 Cu\n0.770169 0.625706 0.581957 Cu\n0.249753 0.697128 0.525311 Cu\n0.465068 0.876781 0.264608 Cu\n0.270169 0.374294 0.418043 Cu\n0.731135 0.824727 0.864363 Cu\n0.470244 0.677449 0.312594 Cu\n0.951661 0.304645 0.809127 Cu\n0.777171 0.798989 0.652345 Cu\n0.749753 0.302872 0.474689 Cu\n0.469529 0.200905 0.680436 Cu\n0.467329 0.372628 0.751219 Cu\n0.746114 0.625498 0.916533 Cu\n0.231135 0.175273 0.135637 Cu\n0.772827 0.324076 0.353804 Cu\n0.248981 0.171721 0.467798 Cu\n0.451661 0.695355 0.190873 Cu\n0.248940 0.678781 0.979706 Cu\n0.748940 0.321219 0.020294 Cu\n0.734877 0.303875 0.141597 Cu\n0.967329 0.627372 0.248781 Cu\n0.277171 0.201011 0.347655 Cu\n0.952221 0.830718 0.198119 Cu\n0.969529 0.799095 0.319564 Cu\n0.452221 0.169282 0.801881 Cu\n0.252334 0.198214 0.014247 Cu\n0.246114 0.374502 0.083467 Cu\n0.970244 0.322551 0.687406 Cu\n0.263623 0.876092 0.597928 Cu\n0.763623 0.123908 0.402072 Cu\n0.362686 0.985155 0.593813 P\n0.106852 0.559249 0.064218 P\n0.839742 0.015199 0.072677 P\n0.370360 0.483307 0.419707 P\n0.805384 0.878013 0.475032 P\n0.350014 0.483147 0.083506 P\n0.405206 0.621277 0.367692 P\n0.868763 0.876671 0.141430 P\n0.913285 0.860323 0.373133 P\n0.144732 0.544723 0.725953 P\n0.898693 0.011440 0.739395 P\n0.368392 0.642063 0.136423 P\n0.367519 0.622387 0.700480 P\n0.640234 0.939490 0.719928 P\n0.305862 0.642274 0.469904 P\n0.105403 0.068713 0.939016 P\n0.348597 0.622473 0.032784 P\n0.410597 0.485072 0.752817 P\n0.606852 0.440751 0.935782 P\n0.299990 0.641969 0.803103 P\n0.142108 0.554059 0.390005 P\n0.368763 0.123329 0.858570 P\n0.850014 0.516853 0.916494 P\n0.795418 0.874462 0.807484 P\n0.867519 0.377613 0.299520 P\n0.295418 0.125538 0.192516 P\n0.642108 0.445941 0.609995 P\n0.413285 0.139677 0.626867 P\n0.339742 0.984801 0.927323 P\n0.873509 0.857311 0.704985 P\n0.910597 0.514928 0.247183 P\n0.355351 0.137810 0.962860 P\n0.644732 0.455277 0.274047 P\n0.799990 0.358031 0.196897 P\n0.605403 0.931287 0.060984 P\n0.868392 0.357937 0.863577 P\n0.140234 0.060510 0.280072 P\n0.373509 0.142689 0.295015 P\n0.643820 0.931908 0.385294 P\n0.305384 0.121987 0.524968 P\n0.848597 0.377527 0.967216 P\n0.862686 0.014845 0.406187 P\n0.143820 0.068092 0.614706 P\n0.905206 0.378723 0.632308 P\n0.398693 0.988560 0.260605 P\n0.805862 0.357726 0.530096 P\n0.855351 0.862190 0.037140 P\n0.870360 0.516693 0.580293 P\n0.539353 0.037763 0.974986 Se\n0.042282 0.478153 0.969163 Se\n0.608230 0.534267 0.703948 Se\n0.948374 0.802082 0.763299 Se\n0.542282 0.521847 0.030837 Se\n0.439919 0.698586 0.750252 Se\n0.039353 0.962237 0.025014 Se\n0.477114 0.540482 0.811071 Se\n0.501573 0.892717 0.440378 Se\n0.492517 0.531539 0.139014 Se\n0.993662 0.098722 0.225278 Se\n0.001573 0.107283 0.559622 Se\n0.992517 0.468461 0.860986 Se\n0.498536 0.398786 0.224645 Se\n0.972105 0.304814 0.581392 Se\n0.489691 0.692572 0.080280 Se\n0.604505 0.522718 0.373963 Se\n0.448374 0.197918 0.236701 Se\n0.603981 0.052452 0.302458 Se\n0.104505 0.477282 0.626037 Se\n0.481535 0.191608 0.567561 Se\n0.606320 0.039884 0.632360 Se\n0.500845 0.387603 0.560807 Se\n0.530721 0.886992 0.119596 Se\n0.530585 0.380392 0.882289 Se\n0.451576 0.535726 0.478401 Se\n0.439055 0.012447 0.529945 Se\n0.951576 0.464274 0.521599 Se\n0.000845 0.612397 0.439193 Se\n0.981018 0.987623 0.132494 Se\n0.939919 0.301414 0.249748 Se\n0.998536 0.601214 0.775355 Se\n0.030721 0.113008 0.880404 Se\n0.481018 0.012377 0.867506 Se\n0.106320 0.960116 0.367640 Se\n0.977114 0.459518 0.188929 Se\n0.989691 0.307428 0.919720 Se\n0.981535 0.808392 0.432439 Se\n0.493662 0.901278 0.774722 Se\n0.472105 0.695186 0.418608 Se\n0.103981 0.947548 0.697542 Se\n0.108230 0.465733 0.296052 Se\n0.961173 0.979181 0.803000 Se\n0.030585 0.619608 0.117711 Se\n0.939055 0.987553 0.470055 Se\n0.500182 0.189372 0.908303 Se\n0.461173 0.020819 0.197000 Se\n0.000182 0.810628 0.091697 Se\n0.357909 0.803279 0.985662 Br\n0.840184 0.181765 0.133616 Br\n0.868705 0.198104 0.679795 Br\n0.860427 0.877471 0.263624 Br\n0.847990 0.875031 0.927258 Br\n0.368452 0.323315 0.686089 Br\n0.340210 0.816227 0.203821 Br\n0.347990 0.124969 0.072742 Br\n0.380277 0.323861 0.353557 Br\n0.371200 0.124133 0.404586 Br\n0.856542 0.678868 0.980388 Br\n0.340184 0.818235 0.866384 Br\n0.840210 0.183773 0.796179 Br\n0.358386 0.818563 0.534058 Br\n0.375497 0.625384 0.582317 Br\n0.858386 0.181437 0.465942 Br\n0.840429 0.705824 0.197130 Br\n0.352863 0.625615 0.916259 Br\n0.858590 0.703549 0.527100 Br\n0.857909 0.196721 0.014338 Br\n0.875497 0.374616 0.417683 Br\n0.368705 0.801896 0.320205 Br\n0.382302 0.800905 0.652494 Br\n0.364114 0.624022 0.250126 Br\n0.880277 0.676139 0.646443 Br\n0.871200 0.875867 0.595414 Br\n0.882302 0.199095 0.347506 Br\n0.868452 0.676685 0.313911 Br\n0.864114 0.375978 0.749874 Br\n0.358590 0.296451 0.472900 Br\n0.342471 0.299812 0.139547 Br\n0.356542 0.321132 0.019612 Br\n0.842471 0.700188 0.860453 Br\n0.340429 0.294176 0.802870 Br\n0.852863 0.374385 0.083741 Br\n0.360427 0.122529 0.736376 Br\n",
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{
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{
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"id": "mp-555592",
"created_at": "2022-09-04T14:41:10.196993Z",
"structure_string": "Cs16 Ta16 P16 S96\n1.0\n18.042275 0.000000 0.000000\n0.000000 14.989128 0.000000\n0.000000 4.435912 15.677588\nCs Ta P S\n16 16 16 96\ndirect\n0.668499 0.865416 0.970711 Cs\n0.065799 0.141295 0.548018 Cs\n0.017466 0.992391 0.873145 Cs\n0.982534 0.007609 0.126855 Cs\n0.127105 0.555412 0.998184 Cs\n0.872895 0.444588 0.001816 Cs\n0.482534 0.492391 0.373145 Cs\n0.831501 0.365416 0.470711 Cs\n0.934201 0.858705 0.451982 Cs\n0.517466 0.507609 0.626855 Cs\n0.565799 0.358705 0.951982 Cs\n0.434201 0.641295 0.048018 Cs\n0.331501 0.134584 0.029289 Cs\n0.627105 0.944588 0.501816 Cs\n0.372895 0.055412 0.498184 Cs\n0.168499 0.634584 0.529289 Cs\n0.271388 0.362424 0.310683 Ta\n0.228612 0.862424 0.810683 Ta\n0.108734 0.252175 0.255389 Ta\n0.608734 0.247825 0.244611 Ta\n0.728612 0.637576 0.689317 Ta\n0.287322 0.287660 0.733065 Ta\n0.874922 0.674769 0.157466 Ta\n0.212678 0.787660 0.233065 Ta\n0.771388 0.137576 0.189317 Ta\n0.712678 0.712340 0.266935 Ta\n0.891266 0.747825 0.744611 Ta\n0.125078 0.325231 0.842534 Ta\n0.374922 0.825231 0.342534 Ta\n0.625078 0.174769 0.657466 Ta\n0.391266 0.752175 0.755389 Ta\n0.787322 0.212340 0.766935 Ta\n0.216583 0.839093 0.019155 P\n0.611738 0.250588 0.447869 P\n0.283417 0.339093 0.519155 P\n0.563210 0.690902 0.828599 P\n0.063210 0.809098 0.671401 P\n0.111738 0.249412 0.052131 P\n0.716583 0.660907 0.480845 P\n0.388262 0.749412 0.552131 P\n0.543602 0.792563 0.204614 P\n0.043602 0.707437 0.295386 P\n0.936790 0.190902 0.328599 P\n0.436790 0.309098 0.171401 P\n0.888262 0.750588 0.947869 P\n0.783417 0.160907 0.980845 P\n0.956398 0.292563 0.704614 P\n0.456398 0.207437 0.795386 P\n0.669164 0.583038 0.409833 S\n0.239941 0.426041 0.782909 S\n0.172389 0.393649 0.693852 S\n0.790680 0.637961 0.827118 S\n0.981004 0.392280 0.601797 S\n0.996522 0.694211 0.671273 S\n0.206175 0.407361 0.431817 S\n0.827611 0.606351 0.306148 S\n0.394705 0.318764 0.817399 S\n0.118653 0.677373 0.209336 S\n0.154897 0.152593 0.155656 S\n0.894705 0.181236 0.682601 S\n0.041940 0.323970 0.107839 S\n0.845103 0.847407 0.844344 S\n0.261242 0.727563 0.108696 S\n0.293825 0.907361 0.931817 S\n0.018996 0.607720 0.398203 S\n0.672389 0.106351 0.806148 S\n0.618653 0.822627 0.290664 S\n0.330836 0.416962 0.590167 S\n0.304018 0.694410 0.857550 S\n0.458060 0.823970 0.607839 S\n0.169164 0.916962 0.090167 S\n0.496522 0.805789 0.828727 S\n0.979224 0.883031 0.712620 S\n0.793825 0.592639 0.568183 S\n0.550127 0.275120 0.733030 S\n0.638821 0.751345 0.732846 S\n0.107718 0.874085 0.560180 S\n0.060964 0.200176 0.960653 S\n0.695982 0.305590 0.142450 S\n0.195982 0.194410 0.357550 S\n0.830089 0.008844 0.254811 S\n0.607718 0.625915 0.939820 S\n0.804018 0.805590 0.642450 S\n0.209320 0.362039 0.172882 S\n0.020776 0.116969 0.287380 S\n0.361179 0.248655 0.267154 S\n0.305799 0.828085 0.477076 S\n0.381347 0.177373 0.709336 S\n0.861179 0.251345 0.232846 S\n0.856606 0.580692 0.752350 S\n0.546724 0.060120 0.664221 S\n0.949873 0.775120 0.233030 S\n0.706175 0.092639 0.068183 S\n0.953276 0.560120 0.164221 S\n0.830836 0.083038 0.909833 S\n0.783001 0.814062 0.169445 S\n0.560964 0.299824 0.539347 S\n0.738758 0.272437 0.891304 S\n0.283001 0.685938 0.330555 S\n0.479224 0.616969 0.787380 S\n0.453276 0.939880 0.335779 S\n0.605295 0.681236 0.182601 S\n0.105295 0.818764 0.317399 S\n0.518996 0.892280 0.101797 S\n0.669911 0.508844 0.754811 S\n0.644657 0.702014 0.562570 S\n0.046724 0.439880 0.835779 S\n0.881347 0.322627 0.790664 S\n0.327611 0.893649 0.193852 S\n0.050127 0.224880 0.766970 S\n0.541940 0.176030 0.392161 S\n0.216999 0.185938 0.830555 S\n0.716999 0.314062 0.669445 S\n0.238758 0.227563 0.608696 S\n0.939036 0.799824 0.039347 S\n0.003478 0.305789 0.328727 S\n0.805799 0.671915 0.022924 S\n0.520776 0.383031 0.212620 S\n0.760059 0.573959 0.217091 S\n0.144657 0.797986 0.937430 S\n0.345103 0.652593 0.655656 S\n0.958060 0.676030 0.892161 S\n0.643394 0.080692 0.252350 S\n0.356606 0.919308 0.747650 S\n0.503478 0.194211 0.171273 S\n0.855343 0.202014 0.062570 S\n0.138821 0.748655 0.767154 S\n0.892282 0.125915 0.439820 S\n0.439036 0.700176 0.460653 S\n0.761242 0.772437 0.391304 S\n0.290680 0.862039 0.672882 S\n0.654897 0.347407 0.344344 S\n0.260059 0.926041 0.282909 S\n0.449873 0.724880 0.266970 S\n0.739941 0.073959 0.717091 S\n0.330089 0.491156 0.245189 S\n0.194201 0.328085 0.977076 S\n0.392282 0.374085 0.060180 S\n0.355343 0.297986 0.437430 S\n0.169911 0.991156 0.745189 S\n0.694201 0.171915 0.522924 S\n0.481004 0.107720 0.898203 S\n0.143394 0.419308 0.247650 S\n0.709320 0.137961 0.327118 S\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Cs",
"Ta",
"P",
"S"
],
"chemical_system": "Cs-P-S-Ta",
"density": 3.3664486145212056,
"density_atomic": 0.03396374555024878,
"volume": 4239.815063593456,
"volume_molar": 17.73108549258899,
"formula_full": "Cs16 Ta16 P16 S96",
"formula_reduced": "CsTaPS6",
"formula_anonymous": "ABCD6",
"energy": -846.67764717,
"energy_per_atom": -5.879705883125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -798.38964717,
"band_gap": 1.5395,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.652000Z",
"spacegroup": 14
}
]
}