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{
"id": "mp-631398",
"created_at": "2022-09-04T14:47:19.317985Z",
"structure_string": "Te1 Os1 Cl2\n1.0\n0.000000 3.332697 3.332697\n3.332697 0.000000 3.332697\n3.332697 3.332697 0.000000\nTe Os Cl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Te\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Cl\n0.250000 0.250000 0.250000 Cl\n",
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{
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"volume_molar": 7.7076834260312035,
"formula_full": "Li4 Nb4 B8 O24",
"formula_reduced": "LiNb(BO3)2",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1180719",
"created_at": "2022-09-04T14:47:19.322741Z",
"structure_string": "Mn4 P2 C10 N2 O22\n1.0\n7.472633 0.000000 0.000000\n0.949831 7.655096 0.000000\n1.887421 2.212228 9.156573\nMn P C N O\n4 2 10 2 22\ndirect\n0.839003 0.029970 0.242774 Mn\n0.160997 0.970030 0.757226 Mn\n0.194938 0.309396 0.116177 Mn\n0.805062 0.690604 0.883823 Mn\n0.088750 0.723984 0.086079 P\n0.911250 0.276016 0.913921 P\n0.490447 0.069314 0.189650 C\n0.509553 0.930686 0.810350 C\n0.520427 0.242400 0.227484 C\n0.479573 0.757600 0.772516 C\n0.069189 0.068894 0.454883 C\n0.930811 0.931106 0.545117 C\n0.915222 0.498974 0.498880 C\n0.084778 0.501026 0.501120 C\n0.585557 0.499289 0.498662 C\n0.414443 0.500711 0.501338 C\n0.751020 0.495866 0.498109 N\n0.248980 0.504134 0.501891 N\n0.039217 0.142916 0.324962 O\n0.960783 0.857084 0.675038 O\n0.979643 0.816181 0.207112 O\n0.020357 0.183819 0.792888 O\n0.194536 0.097999 0.513008 O\n0.805464 0.902001 0.486992 O\n0.608258 0.936987 0.218408 O\n0.391742 0.063013 0.781592 O\n0.665209 0.241544 0.279987 O\n0.334791 0.758456 0.720013 O\n0.997819 0.789951 0.940134 O\n0.002181 0.210049 0.059866 O\n0.344538 0.066578 0.143256 O\n0.655462 0.933422 0.856744 O\n0.394040 0.366945 0.215681 O\n0.605960 0.633055 0.784319 O\n0.306513 0.386767 0.945452 O\n0.693487 0.613233 0.054548 O\n0.053639 0.519617 0.151762 O\n0.946361 0.480383 0.848238 O\n0.283794 0.768241 0.036112 O\n0.716206 0.231759 0.963888 O\n",
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"density": 2.4785138023097093,
"density_atomic": 0.07636647321431163,
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"formula_full": "Mn4 P2 C10 N2 O22",
"formula_reduced": "Mn2PC5NO11",
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{
"id": "mp-1064981",
"created_at": "2022-09-04T14:47:19.323165Z",
"structure_string": "Hf2 Co2\n1.0\n1.584123 -4.750155 0.000000\n1.584123 4.750155 0.000000\n0.000000 0.000000 4.212462\nHf Co\n2 2\ndirect\n0.860002 0.139998 0.750000 Hf\n0.139998 0.860002 0.250000 Hf\n0.586255 0.413745 0.750000 Co\n0.413745 0.586255 0.250000 Co\n",
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"elements": [
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"density": 12.437685344140995,
"density_atomic": 0.06309534491513388,
"volume": 63.396119085808664,
"volume_molar": 9.544508819311556,
"formula_full": "Hf2 Co2",
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"updated_at": "2021-11-28T01:38:04.922000Z",
"spacegroup": 63
},
{
"id": "mp-1096541",
"created_at": "2022-09-04T14:47:19.326802Z",
"structure_string": "Li1 Sc2 Pd1\n1.0\n-5.583797 6.377756 8.429792\n5.583797 -6.377756 8.429792\n5.583797 6.377756 -8.429792\nLi Sc Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.289056 0.289056 Sc\n0.000000 0.710944 0.710944 Sc\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"density": 0.28109559959334157,
"density_atomic": 0.0033310842739169033,
"volume": 1200.8102080517292,
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"formula_full": "Li1 Sc2 Pd1",
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"formula_anonymous": "ABC2",
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{
"id": "mp-706341",
"created_at": "2022-09-04T14:47:19.329589Z",
"structure_string": "Sr3 La7 Mn7 Fe3 O30\n1.0\n5.540728 0.000000 0.000000\n-0.106590 7.875248 0.000000\n-2.735921 -3.916174 13.973293\nSr La Mn Fe O\n3 7 7 3 30\ndirect\n0.497059 0.748196 0.996961 Sr\n0.898399 0.149040 0.798954 Sr\n0.300138 0.551826 0.602909 Sr\n0.496461 0.248029 0.996150 La\n0.703099 0.948949 0.402291 La\n0.898089 0.649408 0.800030 La\n0.096612 0.349555 0.198984 La\n0.301494 0.051072 0.603964 La\n0.697752 0.450019 0.401847 La\n0.097888 0.847144 0.195930 La\n0.998982 0.998700 0.999073 Mn\n0.397686 0.400614 0.799426 Mn\n0.800177 0.800206 0.601307 Mn\n0.997129 0.499633 0.998724 Mn\n0.198897 0.199488 0.400131 Mn\n0.398953 0.899621 0.800071 Mn\n0.798925 0.300658 0.600578 Mn\n0.599591 0.598573 0.198328 Fe\n0.200877 0.697733 0.401016 Fe\n0.597124 0.097774 0.198314 Fe\n0.231048 0.426314 0.913493 O\n0.986995 0.737905 0.976440 O\n0.637085 0.824549 0.708969 O\n0.720363 0.421254 0.892672 O\n0.680869 0.987509 0.914535 O\n0.408927 0.658947 0.816951 O\n0.387836 0.138093 0.777846 O\n0.032540 0.214939 0.506092 O\n0.113864 0.822798 0.688160 O\n0.077369 0.384870 0.710823 O\n0.169500 0.970840 0.893693 O\n0.809360 0.057086 0.615443 O\n0.785057 0.537547 0.574598 O\n0.435729 0.623884 0.312066 O\n0.517314 0.209666 0.484163 O\n0.481359 0.790355 0.509377 O\n0.568605 0.364620 0.690413 O\n0.212737 0.453166 0.419823 O\n0.181488 0.940439 0.373288 O\n0.841688 0.030009 0.113759 O\n0.922871 0.612873 0.289808 O\n0.878475 0.187354 0.313461 O\n0.965343 0.771989 0.488819 O\n0.610418 0.862529 0.225203 O\n0.588725 0.335365 0.174980 O\n0.311518 0.020508 0.091958 O\n0.270668 0.580641 0.112267 O\n0.363893 0.176274 0.290713 O\n0.012601 0.261728 0.024592 O\n0.778745 0.568678 0.091028 O\n",
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{
"id": "mp-1426806",
"created_at": "2022-09-04T14:47:26.852693Z",
"structure_string": "Ti1 O2\n1.0\n7.034863 -1.497331 0.000000\n7.034863 1.497331 0.000000\n6.716164 0.000000 2.573798\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.379533 0.379533 0.379533 O\n0.620467 0.620467 0.620467 O\n",
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{
"id": "mp-1215126",
"created_at": "2022-09-04T14:47:19.330895Z",
"structure_string": "Be52 Mo4\n1.0\n-6.803807 -6.803807 0.000000\n-6.803807 0.000000 -6.803807\n0.000000 -6.803807 -6.803807\nBe Mo\n52 4\ndirect\n0.497492 0.497492 0.265721 Be\n0.739296 0.265721 0.497492 Be\n0.265721 0.739296 0.497492 Be\n0.497492 0.265721 0.497492 Be\n0.010704 0.252508 0.484279 Be\n0.252508 0.252508 0.484279 Be\n0.497492 0.497492 0.739296 Be\n0.265721 0.497492 0.739296 Be\n0.252508 0.484279 0.252508 Be\n0.010704 0.484279 0.252508 Be\n0.739296 0.497492 0.265721 Be\n0.252508 0.010704 0.252508 Be\n0.484279 0.010704 0.252508 Be\n0.497492 0.739296 0.497492 Be\n0.484279 0.252508 0.010704 Be\n0.252508 0.252508 0.010704 Be\n0.265721 0.497492 0.497492 Be\n0.497492 0.265721 0.739296 Be\n0.739296 0.497492 0.497492 Be\n0.497492 0.739296 0.265721 Be\n0.252508 0.484279 0.010704 Be\n0.484279 0.252508 0.252508 Be\n0.252508 0.010704 0.484279 Be\n0.010704 0.252508 0.252508 Be\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.144782 0.750778 0.750778 Be\n0.353662 0.750778 0.750778 Be\n0.750778 0.353662 0.144782 Be\n0.750778 0.750778 0.144782 Be\n0.396338 0.999222 0.999222 Be\n0.605218 0.999222 0.999222 Be\n0.750778 0.144782 0.353662 Be\n0.750778 0.750778 0.353662 Be\n0.353662 0.144782 0.750778 Be\n0.999222 0.396338 0.605218 Be\n0.144782 0.353662 0.750778 Be\n0.999222 0.605218 0.396338 Be\n0.750778 0.144782 0.750778 Be\n0.396338 0.999222 0.605218 Be\n0.999222 0.999222 0.605218 Be\n0.144782 0.750778 0.353662 Be\n0.999222 0.605218 0.999222 Be\n0.396338 0.605218 0.999222 Be\n0.353662 0.750778 0.144782 Be\n0.999222 0.396338 0.999222 Be\n0.605218 0.396338 0.999222 Be\n0.750778 0.353662 0.750778 Be\n0.605218 0.999222 0.396338 Be\n0.999222 0.999222 0.396338 Be\n0.875000 0.875000 0.875000 Mo\n0.375000 0.875000 0.875000 Mo\n0.875000 0.375000 0.875000 Mo\n0.875000 0.875000 0.375000 Mo\n",
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{
"id": "mp-1193833",
"created_at": "2022-09-04T14:47:19.345237Z",
"structure_string": "Cu4 Pb2 Se4 Cl4 O12\n1.0\n4.887261 6.624538 0.000000\n-4.887261 6.624538 0.000000\n0.000000 0.144490 6.988501\nCu Pb Se Cl O\n4 2 4 4 12\ndirect\n0.888544 0.111456 0.750000 Cu\n0.111456 0.888544 0.250000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.657372 0.342628 0.250000 Pb\n0.342628 0.657372 0.750000 Pb\n0.731808 0.932602 0.088295 Se\n0.067398 0.268192 0.411705 Se\n0.268192 0.067398 0.911705 Se\n0.932602 0.731808 0.588295 Se\n0.270998 0.476631 0.118659 Cl\n0.523369 0.729002 0.381341 Cl\n0.729002 0.523369 0.881341 Cl\n0.476631 0.270998 0.618659 Cl\n0.798149 0.106166 0.006787 O\n0.893834 0.201851 0.493213 O\n0.201851 0.893834 0.993213 O\n0.106166 0.798149 0.506787 O\n0.946444 0.374971 0.216674 O\n0.625029 0.053556 0.283326 O\n0.053556 0.625029 0.783326 O\n0.374971 0.946444 0.716674 O\n0.917059 0.798412 0.178324 O\n0.201588 0.082941 0.321676 O\n0.082941 0.201588 0.821676 O\n0.798412 0.917059 0.678324 O\n",
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{
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