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{
"id": "mp-1369469",
"created_at": "2022-09-04T14:41:56.138653Z",
"structure_string": "Ca4 V4 P8 O28\n1.0\n0.740509 6.041704 2.715809\n-6.540596 0.016852 6.445207\n5.896678 -6.049008 4.402227\nCa V P O\n4 4 8 28\ndirect\n0.788410 0.656434 0.515337 Ca\n0.288422 0.156441 0.015316 Ca\n0.211591 0.343565 0.484663 Ca\n0.711582 0.843554 0.984685 Ca\n0.314388 0.561941 0.213146 V\n0.685616 0.438061 0.786854 V\n0.814598 0.062205 0.713257 V\n0.185368 0.937817 0.286741 V\n0.677053 0.300818 0.446942 P\n0.177022 0.800840 0.946931 P\n0.322948 0.699181 0.553055 P\n0.822977 0.199160 0.053069 P\n0.292179 0.021764 0.651154 P\n0.792168 0.521762 0.151146 P\n0.707819 0.978234 0.348849 P\n0.207837 0.478236 0.848854 P\n0.233047 0.854831 0.625012 O\n0.733099 0.354836 0.125008 O\n0.766956 0.145166 0.374988 O\n0.266901 0.645163 0.874994 O\n0.951626 0.866472 0.847514 O\n0.451673 0.366531 0.347546 O\n0.048373 0.133531 0.152485 O\n0.548328 0.633467 0.652452 O\n0.761443 0.918946 0.503994 O\n0.261437 0.418978 0.004010 O\n0.238559 0.081056 0.496011 O\n0.738566 0.581019 0.995990 O\n0.859580 0.893412 0.262362 O\n0.359528 0.393364 0.762355 O\n0.140420 0.106586 0.737641 O\n0.640476 0.606633 0.237645 O\n0.153589 0.605239 0.535390 O\n0.653614 0.105238 0.035447 O\n0.846414 0.394758 0.464608 O\n0.346390 0.894759 0.964553 O\n0.351183 0.731244 0.404255 O\n0.851142 0.231199 0.904245 O\n0.648815 0.268760 0.595743 O\n0.148860 0.768805 0.095758 O\n0.469959 0.996542 0.261508 O\n0.969966 0.496514 0.761559 O\n0.530039 0.003456 0.738493 O\n0.030039 0.503482 0.238440 O\n",
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{
"id": "mp-1048488",
"created_at": "2022-09-04T14:41:56.660388Z",
"structure_string": "Y2 Cr6 Se4 Cl2 O16\n1.0\n6.576107 0.000000 0.000000\n0.000000 7.189403 0.000000\n0.000000 0.000000 9.812277\nY Cr Se Cl O\n2 6 4 2 16\ndirect\n0.000000 0.738559 0.000000 Y\n0.500000 0.261441 0.500000 Y\n0.250000 0.000000 0.750000 Cr\n0.250000 0.000000 0.250000 Cr\n0.750000 0.000000 0.750000 Cr\n0.500000 0.794256 0.500000 Cr\n0.000000 0.205744 0.000000 Cr\n0.750000 0.000000 0.250000 Cr\n0.500000 0.590674 0.811419 Se\n0.000000 0.409326 0.688581 Se\n0.500000 0.590674 0.188581 Se\n0.000000 0.409326 0.311419 Se\n0.000000 0.851607 0.500000 Cl\n0.500000 0.148393 0.000000 Cl\n0.000000 0.994203 0.865988 O\n0.000000 0.428270 0.865392 O\n0.500000 0.571730 0.365392 O\n0.293135 0.737475 0.839040 O\n0.206865 0.262525 0.339040 O\n0.793135 0.262525 0.339040 O\n0.500000 0.005797 0.634012 O\n0.706865 0.737475 0.839040 O\n0.706865 0.737475 0.160960 O\n0.793135 0.262525 0.660960 O\n0.000000 0.994203 0.134012 O\n0.500000 0.005797 0.365988 O\n0.206865 0.262525 0.660960 O\n0.293135 0.737475 0.160960 O\n0.500000 0.571730 0.634608 O\n0.000000 0.428270 0.134608 O\n",
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"density_atomic": 0.06466804849852985,
"volume": 463.9076127476155,
"volume_molar": 9.312389812005703,
"formula_full": "Y2 Cr6 Se4 Cl2 O16",
"formula_reduced": "YCr3Se2ClO8",
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"energy": -229.24403901,
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},
{
"id": "mp-1196193",
"created_at": "2022-09-04T14:41:56.446337Z",
"structure_string": "Fe1 Sn4 H24 C8 Se10 N2\n1.0\n-5.228524 5.228524 8.165815\n5.228524 -5.228524 8.165815\n5.228524 5.228524 -8.165815\nFe Sn H C Se N\n1 4 24 8 10 2\ndirect\n0.500000 0.500000 0.000000 Fe\n0.404420 0.653000 0.377105 Sn\n0.275896 0.027315 0.622895 Sn\n0.347000 0.724104 0.751419 Sn\n0.972685 0.595580 0.248581 Sn\n0.956396 0.426762 0.701332 H\n0.725430 0.255063 0.298668 H\n0.573238 0.274570 0.529634 H\n0.744937 0.043604 0.470366 H\n0.790876 0.474526 0.582078 H\n0.892448 0.208798 0.417922 H\n0.525474 0.107552 0.316349 H\n0.791202 0.209124 0.683651 H\n0.819820 0.457102 0.749348 H\n0.707754 0.070472 0.250652 H\n0.542898 0.292246 0.362718 H\n0.929528 0.180180 0.637282 H\n0.891071 0.767000 0.839793 H\n0.927206 0.051277 0.160207 H\n0.233000 0.072794 0.124071 H\n0.948723 0.108929 0.875929 H\n0.086650 0.811590 0.924368 H\n0.887222 0.162282 0.075632 H\n0.188410 0.112778 0.275060 H\n0.837718 0.913350 0.724940 H\n0.040939 0.850531 0.074036 H\n0.776495 0.966903 0.925964 H\n0.149469 0.223505 0.190408 H\n0.033097 0.959061 0.809592 H\n0.836229 0.415183 0.645024 C\n0.770159 0.191205 0.354976 C\n0.584817 0.229841 0.421046 C\n0.808795 0.163771 0.578954 C\n0.005143 0.845252 0.956139 C\n0.889113 0.049004 0.043861 C\n0.154748 0.110887 0.159891 C\n0.950996 0.994857 0.840109 C\n0.126644 0.481405 0.118054 Se\n0.363351 0.008590 0.881946 Se\n0.518595 0.636649 0.645239 Se\n0.991410 0.873356 0.354761 Se\n0.435799 0.935799 0.500000 Se\n0.064201 0.564201 0.500000 Se\n0.578022 0.556083 0.281715 Se\n0.274368 0.296307 0.718285 Se\n0.443917 0.725632 0.021939 Se\n0.703693 0.421978 0.978061 Se\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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],
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"density_atomic": 0.05487548105293941,
"volume": 892.9306688487848,
"volume_molar": 10.974192197404752,
"formula_full": "Fe1 Sn4 H24 C8 Se10 N2",
"formula_reduced": "FeSn4H24C8(Se5N)2",
"formula_anonymous": "AB2C4D8E10F24",
"energy": -246.5623966,
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{
"id": "mp-1218763",
"created_at": "2022-09-04T14:41:56.666362Z",
"structure_string": "Sr2 Mn1 Sb1 O6\n1.0\n-2.764180 2.764180 4.250218\n2.764180 -2.764180 4.250218\n2.764180 2.764180 -4.250218\nSr Mn Sb O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.233504 0.233504 0.000000 O\n0.766496 0.766496 0.000000 O\n0.204493 0.303572 0.508065 O\n0.795507 0.696428 0.491935 O\n0.303572 0.795507 0.099079 O\n0.696428 0.204493 0.900921 O\n",
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],
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"formula_full": "Sr2 Mn1 Sb1 O6",
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{
"id": "mp-1183612",
"created_at": "2022-09-04T14:41:57.068955Z",
"structure_string": "Ca1 Yb1 Eu2\n1.0\n0.000000 4.354045 4.354045\n4.354045 0.000000 4.354045\n4.354045 4.354045 0.000000\nCa Yb Eu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n",
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"formula_full": "Ca1 Yb1 Eu2",
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{
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"structure_string": "Sr2 Mn3 As2 O2\n1.0\n4.148840 0.000000 -0.892710\n-0.192085 4.144391 -0.892710\n0.008685 0.009097 10.127515\nSr Mn As O\n2 3 2 2\ndirect\n0.584582 0.584582 0.169163 Sr\n0.415418 0.415419 0.830837 Sr\n0.000000 0.000000 0.000000 Mn\n0.750000 0.249999 0.500000 Mn\n0.249999 0.749999 0.500000 Mn\n0.165040 0.165041 0.330081 As\n0.834960 0.834960 0.669919 As\n0.000001 0.500000 0.000000 O\n0.499999 0.000000 0.000000 O\n",
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"formula_full": "Sr2 Mn3 As2 O2",
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{
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"structure_string": "Ca2 Dy2 Mn2 Sn2 O12\n1.0\n5.828487 0.000000 0.000000\n0.000000 5.461142 0.000000\n0.000000 5.409392 7.712215\nCa Dy Mn Sn O\n2 2 2 2 12\ndirect\n0.808587 0.235889 0.251444 Ca\n0.191413 0.235889 0.751444 Ca\n0.327005 0.773483 0.247474 Dy\n0.672995 0.773483 0.747474 Dy\n0.753873 0.503295 0.500184 Mn\n0.246127 0.503295 0.000184 Mn\n0.239433 0.001296 0.500446 Sn\n0.760567 0.001296 0.000446 Sn\n0.792205 0.382480 0.741827 O\n0.070370 0.136988 0.054880 O\n0.072250 0.752669 0.436818 O\n0.552162 0.843788 0.449105 O\n0.557282 0.233179 0.058576 O\n0.293155 0.636932 0.759245 O\n0.207795 0.382480 0.241827 O\n0.927750 0.752669 0.936818 O\n0.929630 0.136988 0.554880 O\n0.442718 0.233179 0.558576 O\n0.447838 0.843788 0.949105 O\n0.706845 0.636932 0.259245 O\n",
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{
"id": "mp-1516510",
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"structure_string": "Na1 Eu1 Ge4 O12\n1.0\n0.000000 -3.625760 -3.768015\n0.000000 -3.625760 3.768015\n-7.703656 0.000000 0.000000\nNa Eu Ge O\n1 1 4 12\ndirect\n0.986971 0.013029 -0.000000 Na\n0.521229 0.478771 0.500000 Eu\n0.499636 0.996207 0.236662 Ge\n0.499636 0.996207 0.763338 Ge\n0.003793 0.500364 0.763338 Ge\n0.003793 0.500364 0.236662 Ge\n0.301687 0.299275 0.255869 O\n0.700725 0.698313 0.255869 O\n0.700725 0.698313 0.744131 O\n0.301687 0.299275 0.744131 O\n0.202375 0.797625 0.205859 O\n0.788991 0.211009 0.301971 O\n0.788991 0.211009 0.698029 O\n0.202375 0.797625 0.794141 O\n0.552064 0.041754 0.000000 O\n0.450242 0.953064 0.500000 O\n0.958246 0.447936 0.000000 O\n0.046936 0.549758 0.500000 O\n",
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"volume": 210.49343416746152,
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"formula_full": "Na1 Eu1 Ge4 O12",
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"energy": -120.86901662,
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{
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"created_at": "2022-09-04T14:41:56.715367Z",
"structure_string": "Li3 Mn1 Ni3 O8\n1.0\n5.152614 -2.903134 0.000000\n5.152614 2.903134 0.000000\n3.516904 0.000000 4.754893\nLi Mn Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.736945 0.736945 0.736945 O\n0.230658 0.758301 0.230658 O\n0.758301 0.230658 0.230658 O\n0.263055 0.263055 0.263055 O\n0.230658 0.230658 0.758301 O\n0.769342 0.241699 0.769342 O\n0.241699 0.769342 0.769342 O\n0.769342 0.769342 0.241699 O\n",
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"formula_full": "Li3 Mn1 Ni3 O8",
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{
"id": "mp-1247571",
"created_at": "2022-09-04T14:41:57.146056Z",
"structure_string": "Sr4 Ca28 Mn24 Cr8 O88\n1.0\n10.872479 -0.040400 -0.046283\n-0.054630 15.585573 0.004767\n-0.044657 0.002985 10.875683\nSr Ca Mn Cr O\n4 28 24 8 88\ndirect\n0.997511 0.114981 0.503125 Sr\n0.500102 0.387020 0.998768 Sr\n0.242461 0.392155 0.253052 Sr\n0.227907 0.114755 0.234720 Sr\n0.994026 0.108565 0.006080 Ca\n0.015876 0.629245 0.495069 Ca\n0.015591 0.629676 0.997205 Ca\n0.541636 0.127750 0.483997 Ca\n0.546574 0.126359 0.980249 Ca\n0.522416 0.624527 0.497912 Ca\n0.522154 0.623698 0.998619 Ca\n0.498063 0.391209 0.502651 Ca\n0.495253 0.857184 0.001342 Ca\n0.496305 0.857219 0.501519 Ca\n0.964970 0.388215 0.002957 Ca\n0.961616 0.387904 0.501168 Ca\n0.969801 0.871502 0.009216 Ca\n0.968963 0.871907 0.504943 Ca\n0.235342 0.397972 0.743923 Ca\n0.224435 0.871399 0.254502 Ca\n0.227459 0.869660 0.753048 Ca\n0.736406 0.389881 0.252163 Ca\n0.732052 0.385675 0.747634 Ca\n0.742519 0.862129 0.252149 Ca\n0.739261 0.862602 0.748982 Ca\n0.224998 0.110074 0.740961 Ca\n0.269008 0.631911 0.256574 Ca\n0.270246 0.631202 0.757854 Ca\n0.775506 0.117070 0.248035 Ca\n0.780178 0.119025 0.752394 Ca\n0.770096 0.625531 0.253166 Ca\n0.769865 0.624364 0.756285 Ca\n0.001231 0.504003 0.250330 Mn\n0.000863 0.502921 0.750849 Mn\n0.508429 0.983702 0.233778 Mn\n0.507395 0.984545 0.736264 Mn\n0.499704 0.506304 0.251880 Mn\n0.496644 0.505532 0.749923 Mn\n0.248199 0.513480 0.002857 Mn\n0.247370 0.514038 0.504339 Mn\n0.744730 0.995693 0.994672 Mn\n0.741880 0.997606 0.496403 Mn\n0.750818 0.504347 0.001454 Mn\n0.748817 0.504923 0.503104 Mn\n0.251163 0.753825 0.004721 Mn\n0.251502 0.754146 0.505022 Mn\n0.755680 0.249977 0.001905 Mn\n0.749260 0.251222 0.502982 Mn\n0.750570 0.747223 0.000732 Mn\n0.750483 0.746932 0.501693 Mn\n0.001870 0.749856 0.251236 Mn\n0.001565 0.748971 0.749916 Mn\n0.519533 0.255928 0.252957 Mn\n0.514512 0.254257 0.748488 Mn\n0.500356 0.747029 0.253418 Mn\n0.500661 0.746363 0.753842 Mn\n0.992144 0.993485 0.253734 Cr\n0.994251 0.991206 0.756393 Cr\n0.237278 0.991324 0.007698 Cr\n0.237761 0.992734 0.514888 Cr\n0.262792 0.234423 0.939057 Cr\n0.267488 0.233945 0.457334 Cr\n0.979912 0.256203 0.264856 Cr\n0.987559 0.256149 0.766784 Cr\n0.108830 0.778584 0.106582 O\n0.108474 0.779458 0.606309 O\n0.588433 0.249614 0.089615 O\n0.584950 0.257937 0.584748 O\n0.611758 0.765953 0.113323 O\n0.611484 0.765284 0.613458 O\n0.393937 0.196548 0.356418 O\n0.394860 0.187703 0.852596 O\n0.397451 0.728882 0.399986 O\n0.397811 0.728201 0.899978 O\n0.907435 0.244666 0.419912 O\n0.923481 0.239722 0.926593 O\n0.893215 0.730087 0.392718 O\n0.894296 0.730707 0.892277 O\n0.155169 0.246421 0.336418 O\n0.170997 0.250493 0.801688 O\n0.148452 0.735830 0.355202 O\n0.148007 0.735751 0.854304 O\n0.660749 0.222590 0.353831 O\n0.662217 0.226416 0.851557 O\n0.644003 0.726120 0.359085 O\n0.643785 0.725506 0.858724 O\n0.358146 0.775460 0.148786 O\n0.358894 0.774427 0.648800 O\n0.848504 0.279732 0.152523 O\n0.855715 0.276800 0.652421 O\n0.860677 0.768901 0.141512 O\n0.861292 0.770071 0.641367 O\n0.361836 0.491778 0.136187 O\n0.355778 0.491413 0.639828 O\n0.352711 0.994350 0.157295 O\n0.347574 0.994404 0.669888 O\n0.859940 0.483184 0.143861 O\n0.857615 0.481449 0.645609 O\n0.843144 0.976128 0.141718 O\n0.846233 0.979482 0.647701 O\n0.141315 0.010109 0.366267 O\n0.141257 0.008253 0.859116 O\n0.146113 0.523579 0.356220 O\n0.148146 0.520890 0.853127 O\n0.625984 0.029584 0.344515 O\n0.632677 0.027524 0.843083 O\n0.641356 0.522438 0.360572 O\n0.639814 0.518154 0.858979 O\n0.390256 0.513464 0.395176 O\n0.389329 0.517902 0.891979 O\n0.878050 0.013862 0.390219 O\n0.887984 0.012728 0.890054 O\n0.894108 0.519362 0.395130 O\n0.895994 0.520426 0.894371 O\n0.108158 0.479647 0.104088 O\n0.107619 0.476490 0.604167 O\n0.097603 0.982369 0.107437 O\n0.096833 0.979061 0.615061 O\n0.615459 0.488985 0.116668 O\n0.609117 0.486692 0.612170 O\n0.589958 0.991958 0.078739 O\n0.584800 0.992515 0.579815 O\n0.012038 0.381282 0.287600 O\n0.016708 0.380638 0.790992 O\n0.003128 0.870443 0.292848 O\n0.004054 0.872673 0.793744 O\n0.496004 0.378837 0.277400 O\n0.487039 0.378102 0.768480 O\n0.516716 0.870234 0.291671 O\n0.516453 0.869517 0.791515 O\n0.486756 0.628507 0.213366 O\n0.488067 0.627731 0.711830 O\n0.992397 0.130069 0.220827 O\n0.999116 0.126484 0.730099 O\n0.993095 0.626919 0.211514 O\n0.992810 0.626720 0.709946 O\n0.218988 0.135319 0.015381 O\n0.241823 0.131413 0.535693 O\n0.233696 0.636171 0.042380 O\n0.233600 0.636240 0.543401 O\n0.757409 0.122594 0.032544 O\n0.749613 0.125827 0.540293 O\n0.745948 0.625888 0.036747 O\n0.745512 0.625165 0.540725 O\n0.291448 0.331464 0.531322 O\n0.277692 0.329219 0.022115 O\n0.282492 0.881772 0.465039 O\n0.282030 0.880122 0.961592 O\n0.743264 0.377867 0.467672 O\n0.748350 0.376405 0.964657 O\n0.745830 0.872650 0.466834 O\n0.747586 0.872741 0.961987 O\n",
"nsites": 152,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 4.158483196570186,
"density_atomic": 0.08248006164389642,
"volume": 1842.8696217063039,
"volume_molar": 7.301329121212707,
"formula_full": "Sr4 Ca28 Mn24 Cr8 O88",
"formula_reduced": "SrCa7Mn6Cr2O22",
"formula_anonymous": "AB2C6D7E22",
"energy": -1180.34399763,
"energy_per_atom": -7.7654210370394745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1063.86399763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 103.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.750000Z",
"spacegroup": 1
},
{
"id": "mp-1204434",
"created_at": "2022-09-04T14:41:56.404178Z",
"structure_string": "Fe2 P6 O24\n1.0\n8.941277 -4.069680 0.000000\n8.941277 4.069680 0.000000\n7.088936 0.000000 6.801156\nFe P O\n2 6 24\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.604470 0.895530 0.250000 P\n0.250000 0.604470 0.895530 P\n0.895530 0.250000 0.604470 P\n0.750000 0.395530 0.104470 P\n0.104470 0.750000 0.395530 P\n0.395530 0.104470 0.750000 P\n0.804088 0.878946 0.183129 O\n0.183129 0.804088 0.878946 O\n0.878946 0.183129 0.804088 O\n0.683129 0.378946 0.304088 O\n0.304088 0.683129 0.378946 O\n0.378946 0.304088 0.683129 O\n0.195912 0.121054 0.816871 O\n0.816871 0.195912 0.121054 O\n0.121054 0.816871 0.195912 O\n0.316871 0.621054 0.695912 O\n0.695912 0.316871 0.621054 O\n0.621054 0.695912 0.316871 O\n0.446069 0.983539 0.408667 O\n0.408667 0.446069 0.983539 O\n0.983539 0.408667 0.446069 O\n0.908667 0.483539 0.946069 O\n0.946069 0.908667 0.483539 O\n0.483539 0.946069 0.908667 O\n0.553931 0.016461 0.591333 O\n0.591333 0.553931 0.016461 O\n0.016461 0.591333 0.553931 O\n0.091333 0.516461 0.053931 O\n0.053931 0.091333 0.516461 O\n0.516461 0.053931 0.091333 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.2864093860096997,
"density_atomic": 0.06465132571599343,
"volume": 494.96278143734725,
"volume_molar": 9.314798564927564,
"formula_full": "Fe2 P6 O24",
"formula_reduced": "Fe(PO4)3",
"formula_anonymous": "AB3C12",
"energy": -218.40882769,
"energy_per_atom": -6.8252758653125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -197.40882769,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.0371736,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.319000Z",
"spacegroup": 167
},
{
"id": "mp-1111783",
"created_at": "2022-09-04T14:41:57.711745Z",
"structure_string": "Cs1 Rb2 Au1 Br6\n1.0\n0.000000 5.981331 5.981331\n5.981331 0.000000 5.981331\n5.981331 5.981331 0.000000\nCs Rb Au Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.777265 0.222735 0.222735 Br\n0.222735 0.222735 0.777265 Br\n0.222735 0.777265 0.777265 Br\n0.222735 0.777265 0.222735 Br\n0.777265 0.222735 0.777265 Br\n0.777265 0.777265 0.222735 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Cs-Rb",
"density": 3.8032449793377965,
"density_atomic": 0.02336557618618904,
"volume": 427.98003012272454,
"volume_molar": 25.77355983868087,
"formula_full": "Cs1 Rb2 Au1 Br6",
"formula_reduced": "CsRb2AuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.0683332,
"energy_per_atom": -2.90683332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.864333200000004,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9984339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.219000Z",
"spacegroup": 225
}
]
}