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{
"id": "mp-1180983",
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"structure_string": "Mo8 N4 O28\n1.0\n7.717704 0.000000 0.000000\n0.483236 9.419669 0.000000\n2.640904 0.304465 9.597941\nMo N O\n8 4 28\ndirect\n0.258361 0.461709 0.532346 Mo\n0.741639 0.538291 0.467654 Mo\n0.405432 0.202874 0.255774 Mo\n0.594568 0.797126 0.744226 Mo\n0.626452 0.209978 0.530069 Mo\n0.373548 0.790022 0.469931 Mo\n0.557531 0.554068 0.212554 Mo\n0.442469 0.445932 0.787446 Mo\n0.112025 0.310325 0.959763 N\n0.887975 0.689675 0.040237 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.795097 0.522789 0.112819 O\n0.204903 0.477211 0.887181 O\n0.948963 0.492773 0.361673 O\n0.051037 0.507227 0.638327 O\n0.850161 0.139067 0.453051 O\n0.149839 0.860933 0.546949 O\n0.230258 0.325919 0.420008 O\n0.769742 0.674081 0.579992 O\n0.498602 0.690674 0.112945 O\n0.501398 0.309326 0.887055 O\n0.644504 0.670579 0.345425 O\n0.355496 0.329421 0.654575 O\n0.440789 0.395453 0.172057 O\n0.559211 0.604547 0.827943 O\n0.429537 0.879831 0.887217 O\n0.570463 0.120169 0.112783 O\n0.434612 0.892608 0.320103 O\n0.565388 0.107392 0.679897 O\n0.310321 0.615867 0.382216 O\n0.689679 0.384133 0.617784 O\n0.493759 0.135199 0.412451 O\n0.506241 0.864801 0.587549 O\n0.584361 0.405566 0.396481 O\n0.415639 0.594434 0.603519 O\n0.215540 0.130014 0.237191 O\n0.784460 0.869986 0.762809 O\n0.023066 0.703416 0.062245 O\n0.976934 0.296584 0.937755 O\n",
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{
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"structure_string": "Ni2 Sb2 P4 O16\n1.0\n10.151150 0.000000 0.142866\n0.000000 6.147953 0.000000\n0.067977 0.000000 4.939317\nNi Sb P O\n2 2 4 16\ndirect\n0.223334 0.750000 0.441640 Ni\n0.776666 0.250000 0.558360 Ni\n0.278321 0.250000 0.955832 Sb\n0.721679 0.750000 0.044168 Sb\n0.090994 0.250000 0.402901 P\n0.400870 0.750000 0.891873 P\n0.599130 0.250000 0.108127 P\n0.909006 0.750000 0.597099 P\n0.054240 0.750000 0.650310 O\n0.114638 0.250000 0.711371 O\n0.168066 0.054767 0.255564 O\n0.168066 0.445233 0.255564 O\n0.331282 0.947570 0.746878 O\n0.331282 0.552430 0.746878 O\n0.381179 0.750000 0.195937 O\n0.451032 0.250000 0.194406 O\n0.548968 0.750000 0.805594 O\n0.618821 0.250000 0.804063 O\n0.668718 0.052430 0.253122 O\n0.668718 0.447570 0.253122 O\n0.831934 0.554767 0.744436 O\n0.831934 0.945233 0.744436 O\n0.885362 0.750000 0.288629 O\n0.945760 0.250000 0.349690 O\n",
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{
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"structure_string": "Be2 C4\n1.0\n3.360238 0.000000 0.000000\n0.000000 3.360238 0.000000\n0.000000 0.000000 5.172353\nBe C\n2 4\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.867832 0.867832 0.000000 C\n0.632168 0.367832 0.500000 C\n0.132168 0.132168 0.000000 C\n0.367832 0.632168 0.500000 C\n",
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{
"id": "mp-766350",
"created_at": "2022-09-04T14:47:58.993898Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n4.955981 0.000000 0.000000\n0.000000 7.277788 0.000000\n0.000000 0.000000 10.655110\nLi Si Bi O\n4 4 4 16\ndirect\n0.241073 0.006142 0.156747 Li\n0.741073 0.506142 0.343253 Li\n0.241073 0.493858 0.656747 Li\n0.741073 0.993858 0.843253 Li\n0.748201 0.766273 0.089286 Si\n0.248201 0.266273 0.410714 Si\n0.748201 0.733727 0.589286 Si\n0.248201 0.233727 0.910714 Si\n0.725296 0.258835 0.121583 Bi\n0.225296 0.758835 0.378417 Bi\n0.725296 0.241165 0.621583 Bi\n0.225296 0.741165 0.878417 Bi\n0.143074 0.234248 0.060456 O\n0.083702 0.784112 0.072219 O\n0.668767 0.580903 0.165986 O\n0.632245 0.952190 0.157357 O\n0.132245 0.452190 0.342643 O\n0.168767 0.080903 0.334014 O\n0.583702 0.284112 0.427781 O\n0.643074 0.734248 0.439544 O\n0.143074 0.265752 0.560456 O\n0.083702 0.715888 0.572219 O\n0.668767 0.919097 0.665986 O\n0.632245 0.547810 0.657357 O\n0.132245 0.047810 0.842643 O\n0.168767 0.419097 0.834014 O\n0.583702 0.215888 0.927781 O\n0.643074 0.765752 0.939544 O\n",
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"formula_full": "Li4 Si4 Bi4 O16",
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{
"id": "mp-761245",
"created_at": "2022-09-04T14:47:59.051122Z",
"structure_string": "K8 Li8 Co4 O16\n1.0\n9.126201 0.000000 0.000000\n0.000000 5.508889 0.000000\n0.000000 4.135828 10.366804\nK Li Co O\n8 8 4 16\ndirect\n0.498492 0.703808 0.641506 K\n0.253932 0.210897 0.143714 K\n0.998492 0.296192 0.858494 K\n0.246068 0.210897 0.643714 K\n0.753932 0.789103 0.356286 K\n0.001508 0.703808 0.141506 K\n0.746068 0.789103 0.856286 K\n0.501508 0.296192 0.358494 K\n0.243342 0.606382 0.813680 Li\n0.982626 0.651773 0.569247 Li\n0.482626 0.348227 0.930753 Li\n0.743342 0.393618 0.686320 Li\n0.256658 0.606382 0.313680 Li\n0.517374 0.651773 0.069247 Li\n0.017374 0.348227 0.430753 Li\n0.756658 0.393618 0.186320 Li\n0.213709 0.871047 0.452911 Co\n0.713709 0.128953 0.047089 Co\n0.286291 0.871047 0.952911 Co\n0.786291 0.128953 0.547089 Co\n0.792090 0.773290 0.607405 O\n0.188021 0.723250 0.627560 O\n0.573445 0.275619 0.115574 O\n0.885185 0.229693 0.092187 O\n0.688021 0.276750 0.872440 O\n0.292090 0.226710 0.892595 O\n0.385185 0.770307 0.407813 O\n0.073445 0.724381 0.384426 O\n0.926555 0.275619 0.615574 O\n0.614815 0.229693 0.592187 O\n0.707910 0.773290 0.107405 O\n0.311979 0.723250 0.127560 O\n0.114815 0.770307 0.907813 O\n0.426555 0.724381 0.884426 O\n0.811979 0.276750 0.372440 O\n0.207910 0.226710 0.392595 O\n",
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"formula_full": "K8 Li8 Co4 O16",
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{
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"structure_string": "Lu2 In1 Ag1\n1.0\n0.000000 3.642141 3.642141\n3.642141 0.000000 3.642141\n3.642141 3.642141 0.000000\nLu In Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n",
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{
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"structure_string": "K2 Hg1 As1 Br6\n1.0\n0.000000 5.599800 5.599800\n5.599800 0.000000 5.599800\n5.599800 5.599800 0.000000\nK Hg As Br\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 Hg\n0.000000 0.000000 0.000000 As\n0.760758 0.239242 0.239242 Br\n0.239242 0.239242 0.760758 Br\n0.239242 0.760758 0.760758 Br\n0.239242 0.760758 0.239242 Br\n0.760758 0.239242 0.760758 Br\n0.760758 0.760758 0.239242 Br\n",
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{
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{
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{
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},
{
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"elements": [
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"O"
],
"chemical_system": "Al-Ba-Cu-O-V",
"density": 5.233225100667928,
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"volume": 113.84755021208235,
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"formula_full": "Ba1 Al1 V1 Cu1 O5",
"formula_reduced": "BaAlVCuO5",
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{
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"structure_string": "Be1 Zn1 Pt2\n1.0\n-4.508666 5.234940 7.391047\n4.508666 -5.234940 7.391047\n4.508666 5.234940 -7.391047\nBe Zn Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Zn\n0.000000 0.226665 0.226665 Pt\n0.000000 0.773335 0.773335 Pt\n",
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]
}