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{
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"results": [
{
"id": "mp-1175641",
"created_at": "2022-09-04T14:46:53.291992Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.026977 0.000000 0.000000\n1.189862 9.704603 0.000000\n0.347830 0.438602 9.982379\nLi Mn Co O\n9 2 5 16\ndirect\n0.618391 0.252156 0.436052 Li\n0.876040 0.746202 0.311731 Li\n0.120990 0.253998 0.188364 Li\n0.379424 0.742852 0.064100 Li\n0.620576 0.257148 0.935900 Li\n0.879010 0.746002 0.811636 Li\n0.123960 0.253798 0.688269 Li\n0.381609 0.747844 0.563948 Li\n0.000000 0.500000 0.000000 Li\n0.760763 0.000421 0.627046 Mn\n0.239237 0.999579 0.372954 Mn\n0.000000 0.500000 0.500000 Co\n0.499693 0.500799 0.241597 Co\n0.741996 0.998939 0.122536 Co\n0.258004 0.001061 0.877464 Co\n0.500307 0.499201 0.758403 Co\n0.157905 0.118516 0.527902 O\n0.451055 0.608976 0.399060 O\n0.647944 0.116146 0.276324 O\n0.914187 0.614080 0.164619 O\n0.195930 0.117119 0.028541 O\n0.441165 0.614835 0.887786 O\n0.712048 0.115291 0.782470 O\n0.907823 0.613415 0.652161 O\n0.092177 0.386585 0.347839 O\n0.287952 0.884709 0.217530 O\n0.558835 0.385165 0.112214 O\n0.804070 0.882881 0.971459 O\n0.085813 0.385920 0.835381 O\n0.352056 0.883854 0.723676 O\n0.548945 0.391024 0.600940 O\n0.842095 0.881484 0.472098 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
"id": "mp-1211099",
"created_at": "2022-09-04T14:46:53.293977Z",
"structure_string": "Mo4 Pb4 O8\n1.0\n-3.371353 3.371353 6.022538\n3.371353 -3.371353 6.022538\n3.371353 3.371353 -6.022538\nMo Pb O\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Mo\n0.875000 0.125000 0.750000 Mo\n0.875000 0.125000 0.250000 Mo\n0.875000 0.625000 0.750000 Mo\n0.875000 0.625000 0.250000 Pb\n0.375000 0.625000 0.750000 Pb\n0.375000 0.625000 0.250000 Pb\n0.375000 0.125000 0.750000 Pb\n0.158046 0.365958 0.207912 O\n0.158046 0.950134 0.792088 O\n0.115958 0.408046 0.707912 O\n0.591954 0.884042 0.292088 O\n0.700134 0.408046 0.292088 O\n0.591954 0.299866 0.707912 O\n0.634042 0.841954 0.792088 O\n0.049866 0.841954 0.207912 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mo-O-Pb",
"density": 8.129911215035149,
"density_atomic": 0.0584348571041773,
"volume": 273.80917474437047,
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"formula_full": "Mo4 Pb4 O8",
"formula_reduced": "MoPbO2",
"formula_anonymous": "ABC2",
"energy": -113.9519761,
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"spacegroup": 141
},
{
"id": "mp-7390",
"created_at": "2022-09-04T14:46:53.302828Z",
"structure_string": "Sr1 Ge2\n1.0\n2.084944 -3.611230 0.000000\n2.084944 3.611230 0.000000\n0.000000 0.000000 5.199097\nSr Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.597247 Ge\n0.333333 0.666667 0.402753 Ge\n",
"nsites": 3,
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"elements": [
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"density": 4.939820019938128,
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"volume": 78.29021038219607,
"volume_molar": 15.715822235053269,
"formula_full": "Sr1 Ge2",
"formula_reduced": "SrGe2",
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"energy": -12.42004564,
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"updated_at": "2021-11-28T01:37:39.933000Z",
"spacegroup": 164
},
{
"id": "mp-1174018",
"created_at": "2022-09-04T14:46:53.329497Z",
"structure_string": "Li8 Mn2 Co6 O16\n1.0\n3.035316 0.127627 0.045486\n-0.554050 5.986405 0.076192\n-0.076656 0.062132 16.151344\nLi Mn Co O\n8 2 6 16\ndirect\n0.503073 0.250004 0.125495 Li\n0.496857 0.250031 0.624548 Li\n0.499979 0.750214 0.375026 Li\n0.499907 0.749739 0.875024 Li\n0.993076 0.500681 0.001008 Li\n0.998620 0.500318 0.501846 Li\n0.001205 0.999717 0.248278 Li\n0.006946 0.999181 0.748890 Li\n0.500302 0.249781 0.874948 Mn\n0.499767 0.250163 0.375009 Mn\n0.489292 0.746341 0.125068 Co\n0.510550 0.753566 0.624956 Co\n0.011718 0.997216 0.001564 Co\n0.019655 0.999080 0.500598 Co\n0.980270 0.501081 0.249391 Co\n0.988261 0.502783 0.748410 Co\n0.473758 0.237142 0.496083 O\n0.518836 0.237448 0.994667 O\n0.525903 0.263056 0.253987 O\n0.481816 0.262280 0.755215 O\n0.001182 0.989566 0.120337 O\n0.024780 0.987810 0.618633 O\n0.975030 0.512148 0.131345 O\n0.998807 0.510640 0.629683 O\n0.960091 0.493341 0.368376 O\n0.974827 0.491118 0.868208 O\n0.039452 0.007016 0.381671 O\n0.026181 0.008385 0.881710 O\n0.444393 0.737265 0.244684 O\n0.506521 0.743907 0.744291 O\n0.493477 0.756241 0.005727 O\n0.555469 0.762743 0.505326 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.367929286557786,
"density_atomic": 0.10861212981780546,
"volume": 294.6263925924233,
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"formula_full": "Li8 Mn2 Co6 O16",
"formula_reduced": "Li4MnCo3O8",
"formula_anonymous": "AB3C4D8",
"energy": -211.91686467,
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"updated_at": "2021-11-28T01:37:42.394000Z",
"spacegroup": 2
},
{
"id": "mp-1180593",
"created_at": "2022-09-04T14:46:53.367119Z",
"structure_string": "K4 H12 Se8 O24\n1.0\n16.511118 0.000000 0.000000\n0.000000 6.405264 0.000000\n0.000000 0.216296 6.447975\nK H Se O\n4 12 8 24\ndirect\n0.001203 0.311987 0.754776 K\n0.998797 0.688013 0.245224 K\n0.501203 0.188013 0.245224 K\n0.498797 0.811987 0.754776 K\n0.325126 0.069027 0.532198 H\n0.674874 0.930973 0.467802 H\n0.825126 0.430973 0.467802 H\n0.174874 0.569027 0.532198 H\n0.169142 0.440098 0.027684 H\n0.830858 0.559902 0.972316 H\n0.669142 0.059902 0.972316 H\n0.330858 0.940098 0.027684 H\n0.011121 0.121049 0.242778 H\n0.988879 0.878951 0.757222 H\n0.511121 0.378951 0.757222 H\n0.488879 0.621049 0.242778 H\n0.349606 0.313169 0.784855 Se\n0.650394 0.686831 0.215145 Se\n0.849606 0.186831 0.215145 Se\n0.150394 0.813169 0.784855 Se\n0.150587 0.194731 0.302240 Se\n0.849413 0.805269 0.697760 Se\n0.650587 0.305269 0.697760 Se\n0.349413 0.694731 0.302240 Se\n0.389127 0.107598 0.926008 O\n0.610873 0.892402 0.073992 O\n0.889127 0.392402 0.073992 O\n0.110873 0.607598 0.926008 O\n0.431376 0.398515 0.640655 O\n0.568624 0.601485 0.359345 O\n0.931376 0.101485 0.359345 O\n0.068624 0.898515 0.640655 O\n0.290080 0.183016 0.590642 O\n0.709920 0.816984 0.409358 O\n0.790080 0.316984 0.409358 O\n0.209920 0.683016 0.590642 O\n0.110952 0.393937 0.432372 O\n0.889048 0.606063 0.567628 O\n0.610952 0.106063 0.567628 O\n0.389048 0.893937 0.432372 O\n0.064184 0.111633 0.154725 O\n0.935816 0.888367 0.845275 O\n0.564184 0.388367 0.845275 O\n0.435816 0.611633 0.154725 O\n0.202802 0.316788 0.091518 O\n0.797198 0.683212 0.908482 O\n0.702802 0.183212 0.908482 O\n0.297198 0.816788 0.091518 O\n",
"nsites": 48,
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"elements": [
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],
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"formula_full": "K4 H12 Se8 O24",
"formula_reduced": "KH3(SeO3)2",
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"energy": -259.47447329,
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{
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"structure_string": "Na4 P20\n1.0\n6.552641 0.000000 0.000000\n0.000000 7.084145 0.000000\n0.000000 0.000000 11.056854\nNa P\n4 20\ndirect\n0.250000 0.090026 0.424452 Na\n0.750000 0.909974 0.575548 Na\n0.750000 0.590026 0.075548 Na\n0.250000 0.409974 0.924452 Na\n0.013523 0.093294 0.081658 P\n0.513523 0.906706 0.918342 P\n0.986477 0.593294 0.418342 P\n0.486477 0.406706 0.581658 P\n0.986477 0.906706 0.918342 P\n0.486477 0.093294 0.081658 P\n0.013523 0.406706 0.581658 P\n0.513523 0.593294 0.418342 P\n0.250000 0.633717 0.140597 P\n0.750000 0.366283 0.859403 P\n0.750000 0.133717 0.359403 P\n0.250000 0.866283 0.640597 P\n0.250000 0.480174 0.311058 P\n0.750000 0.519826 0.688942 P\n0.750000 0.980174 0.188942 P\n0.250000 0.019826 0.811058 P\n0.250000 0.565639 0.686032 P\n0.750000 0.434361 0.313968 P\n0.750000 0.065639 0.813968 P\n0.250000 0.934361 0.186032 P\n",
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{
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"structure_string": "Nd8 W4 C8\n1.0\n5.837861 0.000000 0.000000\n0.000000 5.837861 0.000000\n0.000000 0.000000 10.402519\nNd W C\n8 4 8\ndirect\n0.197157 0.197157 0.343254 Nd\n0.802843 0.802843 0.656746 Nd\n0.302843 0.697157 0.843254 Nd\n0.802843 0.802843 0.343254 Nd\n0.197157 0.197157 0.656746 Nd\n0.697157 0.302843 0.156746 Nd\n0.697157 0.302843 0.843254 Nd\n0.302843 0.697157 0.156746 Nd\n0.176915 0.176915 0.000000 W\n0.823085 0.823085 0.000000 W\n0.323085 0.676915 0.500000 W\n0.676915 0.323085 0.500000 W\n0.000000 0.000000 0.142674 C\n0.500000 0.500000 0.357326 C\n0.500000 0.500000 0.642674 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.857326 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
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{
"id": "mp-774336",
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"structure_string": "Li12 Bi4 S12\n1.0\n8.139213 0.000000 0.000000\n0.000000 8.139213 0.000000\n0.000000 0.000000 8.139213\nLi Bi S\n12 4 12\ndirect\n0.030755 0.969245 0.469245 Li\n0.179281 0.679281 0.820719 Li\n0.204077 0.295923 0.704077 Li\n0.295923 0.704077 0.204077 Li\n0.320719 0.320719 0.320719 Li\n0.469245 0.030755 0.969245 Li\n0.530755 0.530755 0.530755 Li\n0.679281 0.820719 0.179281 Li\n0.704077 0.204077 0.295923 Li\n0.795923 0.795923 0.795923 Li\n0.820719 0.179281 0.679281 Li\n0.969245 0.469245 0.030755 Li\n0.075515 0.075515 0.075515 Bi\n0.424485 0.924485 0.575515 Bi\n0.575515 0.424485 0.924485 Bi\n0.924485 0.575515 0.424485 Bi\n0.994152 0.748608 0.122996 S\n0.122996 0.994152 0.748608 S\n0.251392 0.622996 0.505848 S\n0.248608 0.377004 0.005848 S\n0.377004 0.005848 0.248608 S\n0.505848 0.251392 0.622996 S\n0.494152 0.751392 0.877004 S\n0.622996 0.505848 0.251392 S\n0.751392 0.877004 0.494152 S\n0.748608 0.122996 0.994152 S\n0.877004 0.494152 0.751392 S\n0.005848 0.248608 0.377004 S\n",
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{
"id": "mp-21581",
"created_at": "2022-09-04T14:46:53.336117Z",
"structure_string": "Tb2 Fe12 Sn12\n1.0\n4.487339 -9.378739 0.000000\n4.487339 9.378739 0.000000\n0.000000 0.000000 5.432784\nTb Fe Sn\n2 12 12\ndirect\n0.872335 0.127665 0.750000 Tb\n0.127665 0.872335 0.250000 Tb\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.753689 0.753689 0.000000 Fe\n0.246311 0.246311 0.500000 Fe\n0.246311 0.246311 0.000000 Fe\n0.753689 0.753689 0.500000 Fe\n0.627873 0.877846 0.250000 Fe\n0.372127 0.122154 0.750000 Fe\n0.877846 0.627873 0.750000 Fe\n0.122154 0.372127 0.250000 Fe\n0.957958 0.042042 0.250000 Sn\n0.042042 0.957958 0.750000 Sn\n0.459626 0.540374 0.250000 Sn\n0.540374 0.459626 0.750000 Sn\n0.789242 0.210758 0.250000 Sn\n0.210758 0.789242 0.750000 Sn\n0.295192 0.704808 0.250000 Sn\n0.704808 0.295192 0.750000 Sn\n0.538614 0.787394 0.750000 Sn\n0.461386 0.212606 0.250000 Sn\n0.787394 0.538614 0.250000 Sn\n0.212606 0.461386 0.750000 Sn\n",
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{
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{
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]
}