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"formula_full": "Yb8 P8 S32",
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{
"id": "mp-1522255",
"created_at": "2022-09-04T14:40:21.105852Z",
"structure_string": "K1 Nd1 In1 Sb1 O6\n1.0\n0.000000 -4.096441 -4.096441\n4.096441 0.000000 -4.096441\n4.096441 -4.096441 0.000000\nK Nd In Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.741458 0.258542 0.258542 O\n0.258542 0.741458 0.741458 O\n0.741458 0.258542 0.741458 O\n0.258542 0.741458 0.258542 O\n0.741458 0.741458 0.258542 O\n0.258542 0.258542 0.741458 O\n",
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"formula_full": "K1 Nd1 In1 Sb1 O6",
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{
"id": "mp-1233740",
"created_at": "2022-09-04T14:40:21.287291Z",
"structure_string": "Ba6 Mg1 Sc2 C2 O6 F14\n1.0\n6.125617 0.000000 0.000000\n0.000000 8.810423 -1.198200\n0.000000 0.376557 9.984250\nBa Mg Sc C O F\n6 1 2 2 6 14\ndirect\n0.250000 0.816110 0.597290 Ba\n0.750000 0.575977 0.872751 Ba\n0.250000 0.408959 0.199295 Ba\n0.750000 0.039663 0.817759 Ba\n0.250000 0.892865 0.093629 Ba\n0.750000 0.222279 0.468405 Ba\n0.750000 0.158166 0.131798 Mg\n0.250000 0.248926 0.717215 Sc\n0.750000 0.742221 0.269032 Sc\n0.250000 0.459731 0.541755 C\n0.750000 0.587593 0.484169 C\n0.250000 0.548235 0.447070 O\n0.750000 0.734174 0.499782 O\n0.250000 0.508837 0.667430 O\n0.250000 0.311848 0.511330 O\n0.750000 0.505793 0.582269 O\n0.750000 0.525048 0.357426 O\n0.500872 0.174802 0.254987 F\n0.250000 0.099363 0.862502 F\n0.750000 0.914241 0.118739 F\n0.493893 0.807368 0.836897 F\n0.476637 0.081324 0.619952 F\n0.515992 0.637311 0.120468 F\n0.976373 0.327452 0.802494 F\n0.523627 0.327452 0.802494 F\n0.023363 0.081324 0.619952 F\n0.018026 0.857444 0.327522 F\n0.006107 0.807368 0.836897 F\n0.999128 0.174802 0.254987 F\n0.984008 0.637311 0.120468 F\n0.481974 0.857444 0.327522 F\n",
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{
"id": "mp-1030846",
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"structure_string": "Ba1 Mg6 Si1 O8\n1.0\n8.633987 0.000000 0.000000\n-0.000000 4.798927 0.000000\n0.000000 0.000000 4.798927\nBa Mg Si O\n1 6 1 8\ndirect\n0.500000 -0.000000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.234966 0.000000 0.500000 Mg\n0.765034 -0.000000 0.500000 Mg\n0.234966 0.500000 0.000000 Mg\n0.765034 0.500000 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Si\n0.210966 0.000000 0.000000 O\n0.789034 -0.000000 -0.000000 O\n0.248478 0.500000 0.500000 O\n0.751522 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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{
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{
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"elements": [
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],
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"density": 4.981415620053165,
"density_atomic": 0.04636104978092291,
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"formula_full": "Cs24 U12 Mo12 O84",
"formula_reduced": "Cs2UMoO7",
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"updated_at": "2021-11-28T01:34:57.179000Z",
"spacegroup": 29
},
{
"id": "mp-1176658",
"created_at": "2022-09-04T14:40:21.465823Z",
"structure_string": "Li2 Mn4 O4 F6\n1.0\n0.000121 4.995512 0.000002\n-5.564949 -2.497892 0.054914\n2.354003 0.000061 6.456455\nLi Mn O F\n2 4 4 6\ndirect\n0.499998 0.500001 0.000003 Li\n0.500005 0.500002 0.500002 Li\n0.162058 0.877061 0.368892 Mn\n0.214999 0.877052 0.868879 Mn\n0.784969 0.122937 0.131124 Mn\n0.837943 0.122927 0.631105 Mn\n0.978068 0.100570 0.366941 O\n0.622516 0.100594 0.866956 O\n0.377493 0.899405 0.133035 O\n0.021926 0.899431 0.633053 O\n0.208503 0.499964 0.749932 F\n0.791501 0.500038 0.250068 F\n0.579730 0.253484 0.550543 F\n0.173761 0.253566 0.050618 F\n0.826249 0.746444 0.949387 F\n0.420282 0.746525 0.449461 F\n",
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"formula_full": "Li2 Mn4 O4 F6",
"formula_reduced": "LiMn2O2F3",
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"spacegroup": 15
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{
"id": "mp-6686",
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"structure_string": "K2 Na1 In1 F6\n1.0\n0.000000 4.365792 4.365792\n4.365792 0.000000 4.365792\n4.365792 4.365792 0.000000\nK Na In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.759484 0.240516 0.240516 F\n0.240516 0.240516 0.759484 F\n0.240516 0.759484 0.759484 F\n0.240516 0.759484 0.240516 F\n0.759484 0.240516 0.759484 F\n0.759484 0.759484 0.240516 F\n",
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{
"id": "mp-24250",
"created_at": "2022-09-04T14:40:19.186559Z",
"structure_string": "Mn4 H4 S2 O12\n1.0\n5.827258 0.023022 2.228914\n1.614019 6.126475 2.648113\n0.024671 -0.005733 6.866630\nMn H S O\n4 4 2 12\ndirect\n0.183205 0.651884 0.847650 Mn\n0.816795 0.348116 0.152350 Mn\n0.316795 0.152350 0.348116 Mn\n0.683205 0.847650 0.651884 Mn\n0.196265 0.044064 0.770231 H\n0.303735 0.229769 0.955936 H\n0.803735 0.955936 0.229769 H\n0.696265 0.770231 0.044064 H\n0.250000 0.688922 0.311078 S\n0.750000 0.311078 0.688922 S\n0.086660 0.684226 0.535019 O\n0.413340 0.464981 0.315774 O\n0.586660 0.535019 0.684226 O\n0.913340 0.315774 0.464981 O\n0.800409 0.681231 0.946005 O\n0.699591 0.053995 0.318769 O\n0.199591 0.318769 0.053995 O\n0.300409 0.946005 0.681231 O\n0.893696 0.247496 0.845952 O\n0.606304 0.154048 0.752504 O\n0.106304 0.752504 0.154048 O\n0.393696 0.845952 0.247496 O\n",
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"spacegroup": 15
}
]
}