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{
"id": "mp-28858",
"created_at": "2022-09-04T14:40:22.918546Z",
"structure_string": "Na16 Hg8 S16\n1.0\n7.486832 0.000000 0.000000\n0.000000 7.543367 0.000000\n0.000000 0.000000 18.352759\nNa Hg S\n16 8 16\ndirect\n0.503323 0.728768 0.554652 Na\n0.003323 0.271232 0.945348 Na\n0.996677 0.228768 0.445348 Na\n0.496677 0.771232 0.054652 Na\n0.496677 0.271232 0.445348 Na\n0.996677 0.728768 0.054652 Na\n0.003323 0.771232 0.554652 Na\n0.503323 0.228768 0.945348 Na\n0.831907 0.545526 0.696233 Na\n0.331907 0.454474 0.803767 Na\n0.668093 0.045526 0.303767 Na\n0.168093 0.954474 0.196233 Na\n0.168093 0.454474 0.303767 Na\n0.668093 0.545526 0.196233 Na\n0.331907 0.954474 0.696233 Na\n0.831907 0.045526 0.803767 Na\n0.272969 0.349028 0.110863 Hg\n0.772969 0.650972 0.389137 Hg\n0.227031 0.849028 0.889137 Hg\n0.727031 0.650972 0.889137 Hg\n0.227031 0.349028 0.610863 Hg\n0.772969 0.150972 0.110863 Hg\n0.272969 0.849028 0.389137 Hg\n0.727031 0.150972 0.610863 Hg\n0.697418 0.888045 0.678775 S\n0.302582 0.611955 0.178775 S\n0.802582 0.388045 0.321225 S\n0.802582 0.888045 0.178775 S\n0.197418 0.111955 0.821225 S\n0.302582 0.111955 0.321225 S\n0.697418 0.388045 0.821225 S\n0.197418 0.611955 0.678775 S\n0.255596 0.076830 0.549093 S\n0.755596 0.923170 0.950907 S\n0.244404 0.576830 0.450907 S\n0.744404 0.423170 0.049093 S\n0.744404 0.923170 0.450907 S\n0.244404 0.076830 0.049093 S\n0.755596 0.423170 0.549093 S\n0.255596 0.576830 0.950907 S\n",
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},
{
"id": "mp-1103527",
"created_at": "2022-09-04T14:40:19.185688Z",
"structure_string": "Ba2 B2 Cl2 F8\n1.0\n4.794597 0.000000 0.000000\n0.000000 5.327637 0.000000\n0.000000 0.000000 9.511563\nBa B Cl F\n2 2 2 8\ndirect\n0.474593 0.500000 0.298439 Ba\n0.974593 0.000000 0.701561 Ba\n0.886214 0.000000 0.132531 B\n0.386214 0.500000 0.867469 B\n0.480217 0.000000 0.479534 Cl\n0.980217 0.500000 0.520466 Cl\n0.591645 0.000000 0.140021 F\n0.091645 0.500000 0.859979 F\n0.985402 0.780584 0.203091 F\n0.985402 0.219416 0.203091 F\n0.485402 0.719416 0.796909 F\n0.485402 0.280584 0.796909 F\n0.979228 0.000000 0.992771 F\n0.479228 0.500000 0.007229 F\n",
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"elements": [
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],
"chemical_system": "B-Ba-Cl-F",
"density": 3.548292507234951,
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"formula_full": "Ba2 B2 Cl2 F8",
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"updated_at": "2021-11-28T01:34:54.222000Z",
"spacegroup": 31
},
{
"id": "mp-762018",
"created_at": "2022-09-04T14:40:21.889829Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n0.000002 4.828655 0.000000\n-0.000002 -0.000001 7.446003\n4.828655 0.000001 -0.000002\nLi Co P O\n2 2 2 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.250000 0.000000 P\n0.000000 0.749999 0.500000 P\n0.309369 0.131378 0.185047 O\n0.809372 0.631381 0.685042 O\n0.314959 0.368619 0.809372 O\n0.814953 0.868622 0.309368 O\n0.690631 0.131378 0.814954 O\n0.190628 0.631381 0.314959 O\n0.685041 0.368619 0.190628 O\n0.185047 0.868623 0.690631 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 173.61032917349328,
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"formula_full": "Li2 Co2 P2 O8",
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{
"id": "mp-584129",
"created_at": "2022-09-04T14:40:21.783982Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n0.006789 -6.314644 5.569924\n4.982197 6.327510 2.789379\n-5.079984 6.341606 2.566152\nLi Ni P O\n8 4 8 28\ndirect\n0.002508 0.436494 0.725926 Li\n0.002508 0.936494 0.225926 Li\n0.997492 0.063506 0.774074 Li\n0.997492 0.563506 0.274074 Li\n0.566291 0.808689 0.571269 Li\n0.566291 0.308689 0.071269 Li\n0.433709 0.691311 0.928731 Li\n0.433709 0.191311 0.428731 Li\n0.720733 0.089586 0.862283 Ni\n0.279267 0.410414 0.637717 Ni\n0.720733 0.589586 0.362283 Ni\n0.279267 0.910414 0.137717 Ni\n0.823510 0.237081 0.464918 P\n0.823510 0.737081 0.964918 P\n0.176490 0.262919 0.035082 P\n0.176490 0.762919 0.535082 P\n0.307591 0.523057 0.240688 P\n0.307591 0.023057 0.740688 P\n0.692409 0.976943 0.259312 P\n0.692409 0.476943 0.759312 P\n0.846390 0.102992 0.380571 O\n0.846390 0.602992 0.880571 O\n0.153610 0.397008 0.119429 O\n0.153610 0.897008 0.619429 O\n0.335685 0.698199 0.119688 O\n0.335685 0.198199 0.619688 O\n0.664315 0.801801 0.380312 O\n0.664315 0.301801 0.880312 O\n0.223461 0.512408 0.376555 O\n0.223461 0.012408 0.876555 O\n0.776539 0.987592 0.123445 O\n0.776539 0.487592 0.623445 O\n0.532959 0.052417 0.189407 O\n0.532959 0.552417 0.689407 O\n0.467041 0.447583 0.310593 O\n0.467041 0.947583 0.810593 O\n0.781885 0.888123 0.816122 O\n0.781885 0.388123 0.316122 O\n0.218115 0.611877 0.683878 O\n0.218115 0.111877 0.183878 O\n0.007183 0.784119 0.091980 O\n0.007183 0.284119 0.591980 O\n0.992817 0.715881 0.408020 O\n0.992817 0.215881 0.908020 O\n0.679231 0.648380 0.055767 O\n0.679231 0.148380 0.555767 O\n0.320769 0.851620 0.444233 O\n0.320769 0.351620 0.944233 O\n",
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"formula_full": "Li8 Ni4 P8 O28",
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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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"formula_full": "Mn4 H4 S2 O12",
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{
"id": "mp-1234213",
"created_at": "2022-09-04T14:41:59.383811Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.217920 0.295083 -2.496741\n-2.273179 9.656248 -1.434397\n0.005767 -0.177153 9.472283\nSr Mg Te O\n6 1 8 22\ndirect\n0.289007 0.998064 0.120964 Sr\n0.726089 0.970449 0.908205 Sr\n0.840002 0.060451 0.345911 Sr\n0.163145 0.926708 0.677423 Sr\n0.313928 0.532158 0.612571 Sr\n0.698106 0.461384 0.368583 Sr\n0.191062 0.230324 0.890186 Mg\n0.051121 0.292654 0.190745 Te\n0.955726 0.682574 0.809050 Te\n0.888575 0.294552 0.671347 Te\n0.015737 0.734920 0.241205 Te\n0.504305 0.696194 0.043122 Te\n0.563904 0.304681 0.947378 Te\n0.538277 0.818563 0.477396 Te\n0.420135 0.181578 0.509714 Te\n0.983174 0.589194 0.628380 O\n0.023639 0.404318 0.370860 O\n0.500634 0.626867 0.451211 O\n0.491026 0.369017 0.516711 O\n0.794869 0.193499 0.132491 O\n0.209572 0.786456 0.892598 O\n0.667017 0.193440 0.701411 O\n0.314902 0.828550 0.307902 O\n0.442352 0.860114 0.635279 O\n0.540575 0.116859 0.374482 O\n0.012762 0.135471 0.654387 O\n0.993309 0.859485 0.402905 O\n0.456246 0.346019 0.100029 O\n0.562913 0.681341 0.865755 O\n0.589359 0.890249 0.117587 O\n0.416996 0.117373 0.888681 O\n0.974353 0.844278 0.093501 O\n0.056260 0.138998 0.001208 O\n0.159660 0.161783 0.313233 O\n0.858448 0.830945 0.730400 O\n0.729853 0.638434 0.176752 O\n0.354626 0.359196 0.802663 O\n",
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{
"id": "mp-1105280",
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"structure_string": "Li4 Ta4 O12\n1.0\n4.749778 0.000000 0.000000\n0.000000 5.117239 0.000000\n0.000000 0.000000 8.834571\nLi Ta O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.558241 0.551081 0.250000 Ta\n0.941759 0.051081 0.250000 Ta\n0.441759 0.448919 0.750000 Ta\n0.058241 0.948919 0.750000 Ta\n0.301469 0.879701 0.250000 O\n0.198531 0.379701 0.250000 O\n0.698531 0.120299 0.750000 O\n0.801469 0.620299 0.750000 O\n0.788988 0.793163 0.105918 O\n0.711012 0.293163 0.394082 O\n0.211012 0.206837 0.605918 O\n0.288988 0.706837 0.894082 O\n0.211012 0.206837 0.894082 O\n0.288988 0.706837 0.605918 O\n0.788988 0.793163 0.394082 O\n0.711012 0.293163 0.105918 O\n",
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"formula_full": "Li4 Ta4 O12",
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{
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