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{
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"results": [
{
"id": "mp-758115",
"created_at": "2022-09-04T14:39:26.513663Z",
"structure_string": "Li8 Sn4 P8 O28\n1.0\n5.094381 0.000000 0.000000\n0.000000 8.694173 0.000000\n0.000000 5.495560 14.051016\nLi Sn P O\n8 4 8 28\ndirect\n0.250748 0.995225 0.678833 Li\n0.249252 0.995225 0.178833 Li\n0.732172 0.412443 0.825436 Li\n0.232172 0.587557 0.674564 Li\n0.767828 0.412443 0.325436 Li\n0.267828 0.587557 0.174564 Li\n0.750748 0.004775 0.821167 Li\n0.749252 0.004775 0.321167 Li\n0.275433 0.714724 0.884893 Sn\n0.224567 0.714724 0.384893 Sn\n0.775433 0.285276 0.615107 Sn\n0.724567 0.285276 0.115107 Sn\n0.758609 0.787266 0.701663 P\n0.721767 0.700660 0.534491 P\n0.741391 0.787266 0.201663 P\n0.221767 0.299340 0.965509 P\n0.778233 0.700660 0.034491 P\n0.258609 0.212734 0.798337 P\n0.278233 0.299340 0.465509 P\n0.241391 0.212734 0.298337 P\n0.382251 0.063337 0.783924 O\n0.117749 0.063337 0.283924 O\n0.695270 0.790063 0.929683 O\n0.795781 0.828897 0.586690 O\n0.458795 0.776364 0.719540 O\n0.904386 0.625949 0.753903 O\n0.427820 0.664980 0.546278 O\n0.804730 0.790063 0.429683 O\n0.704219 0.828897 0.086690 O\n0.395105 0.453316 0.917573 O\n0.041205 0.776364 0.219540 O\n0.595614 0.625949 0.253903 O\n0.895105 0.546684 0.582427 O\n0.072180 0.664980 0.046278 O\n0.927820 0.335020 0.953722 O\n0.104895 0.453316 0.417573 O\n0.404386 0.374051 0.746097 O\n0.958795 0.223636 0.780460 O\n0.604895 0.546684 0.082427 O\n0.295781 0.171103 0.913310 O\n0.195270 0.209937 0.570317 O\n0.572180 0.335020 0.453722 O\n0.095614 0.374051 0.246097 O\n0.541205 0.223636 0.280460 O\n0.204219 0.171103 0.413310 O\n0.304730 0.209937 0.070317 O\n0.882251 0.936663 0.716076 O\n0.617749 0.936663 0.216076 O\n",
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"formula_full": "Li8 Sn4 P8 O28",
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"spacegroup": 14
},
{
"id": "mp-1222482",
"created_at": "2022-09-04T14:39:26.535221Z",
"structure_string": "Li6 As1 S5 I1\n1.0\n7.218186 0.000000 0.000000\n3.602636 6.338164 0.000000\n3.530950 2.037870 6.050236\nLi As S I\n6 1 5 1\ndirect\n0.966831 0.608771 0.452832 Li\n0.978610 0.974665 0.591407 Li\n0.970530 0.443173 0.974403 Li\n0.593602 0.973305 0.987860 Li\n0.454772 0.988224 0.591370 Li\n0.455497 0.591903 0.982774 Li\n0.500805 0.499013 0.502315 As\n0.744903 0.754566 0.755184 S\n0.372571 0.381128 0.376207 S\n0.378561 0.863914 0.381145 S\n0.379101 0.378746 0.862954 S\n0.869605 0.376343 0.377178 S\n0.014613 0.986248 0.984372 I\n",
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"elements": [
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"density": 2.422414202915209,
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"volume": 276.79857924655875,
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"formula_full": "Li6 As1 S5 I1",
"formula_reduced": "Li6AsS5I",
"formula_anonymous": "ABC5D6",
"energy": -54.16111334,
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"updated_at": "2021-11-28T01:34:39.145000Z",
"spacegroup": 1
},
{
"id": "mp-1105414",
"created_at": "2022-09-04T14:39:26.538865Z",
"structure_string": "La2 Mn1 Co1 O6\n1.0\n0.000000 5.520960 0.000000\n2.763968 2.760480 -3.914347\n-2.844230 2.760480 -3.914347\nLa Mn Co O\n2 1 1 6\ndirect\n0.749081 0.243341 0.258498 La\n0.250919 0.756659 0.741502 La\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Co\n0.200585 0.786346 0.302444 O\n0.710626 0.786346 0.302444 O\n0.799415 0.213654 0.697556 O\n0.289374 0.213654 0.697556 O\n0.757838 0.662645 0.821679 O\n0.242162 0.337355 0.178321 O\n",
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"density": 6.681677606398237,
"density_atomic": 0.08250926885608847,
"volume": 121.19850458791316,
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"formula_full": "La2 Mn1 Co1 O6",
"formula_reduced": "La2MnCoO6",
"formula_anonymous": "ABC2D6",
"energy": -83.37960441,
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"updated_at": "2021-11-28T01:34:27.223000Z",
"spacegroup": 12
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{
"id": "mp-1226510",
"created_at": "2022-09-04T14:39:26.541048Z",
"structure_string": "Ce1 Y2 Al3 Pd3\n1.0\n3.644503 -6.200534 0.000000\n3.644503 6.200534 0.000000\n0.000000 0.000000 4.031017\nCe Y Al Pd\n1 2 3 3\ndirect\n0.581204 0.581204 0.500000 Ce\n0.416294 0.000615 0.500000 Y\n0.000615 0.416294 0.500000 Y\n0.234806 0.234806 0.000000 Al\n0.762068 0.002383 0.000000 Al\n0.002383 0.762068 0.000000 Al\n0.336072 0.666331 0.000000 Pd\n0.666331 0.336072 0.000000 Pd\n0.000127 0.000127 0.500000 Pd\n",
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],
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"density": 6.545480556422218,
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"volume": 182.18475405962334,
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"formula_full": "Ce1 Y2 Al3 Pd3",
"formula_reduced": "CeY2(AlPd)3",
"formula_anonymous": "AB2C3D3",
"energy": -53.21305261,
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"spacegroup": 38
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{
"id": "mp-1232386",
"created_at": "2022-09-04T14:39:27.286347Z",
"structure_string": "Nd8 Mg4 S16\n1.0\n8.232106 0.000000 0.000000\n0.000000 7.237986 0.000000\n0.000000 0.000000 11.726578\nNd Mg S\n8 4 16\ndirect\n0.031457 0.750000 0.314091 Nd\n0.968543 0.250000 0.685909 Nd\n0.468543 0.250000 0.814091 Nd\n0.531457 0.750000 0.185909 Nd\n0.086319 0.250000 0.035359 Nd\n0.913681 0.750000 0.964641 Nd\n0.413681 0.750000 0.535359 Nd\n0.586319 0.250000 0.464641 Nd\n0.192099 0.250000 0.415073 Mg\n0.807901 0.750000 0.584927 Mg\n0.307901 0.750000 0.915073 Mg\n0.692099 0.250000 0.084927 Mg\n0.142896 0.494789 0.846112 S\n0.857104 0.505211 0.153888 S\n0.357104 0.505211 0.346112 S\n0.642896 0.494789 0.653888 S\n0.642896 0.005211 0.653888 S\n0.357104 0.994789 0.346112 S\n0.857104 0.994789 0.153888 S\n0.142896 0.005211 0.846112 S\n0.912097 0.250000 0.444254 S\n0.087903 0.750000 0.555746 S\n0.587903 0.750000 0.944254 S\n0.412097 0.250000 0.055746 S\n0.205767 0.750000 0.108866 S\n0.794233 0.250000 0.891134 S\n0.294233 0.250000 0.608866 S\n0.705767 0.750000 0.391134 S\n",
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"formula_full": "Nd8 Mg4 S16",
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"spacegroup": 62
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{
"id": "mp-23691",
"created_at": "2022-09-04T14:39:27.288530Z",
"structure_string": "Tl2 B12 H12\n1.0\n0.000000 5.424975 5.424975\n5.424975 0.000000 5.424975\n5.424975 5.424975 0.000000\nTl B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.214562 0.785438 0.948901 B\n0.948901 0.051099 0.214562 B\n0.785438 0.948901 0.214562 B\n0.051099 0.785438 0.214562 B\n0.214562 0.051099 0.785438 B\n0.948901 0.785438 0.051099 B\n0.214562 0.948901 0.051099 B\n0.948901 0.214562 0.785438 B\n0.051099 0.214562 0.948901 B\n0.785438 0.214562 0.051099 B\n0.051099 0.948901 0.785438 B\n0.785438 0.051099 0.948901 B\n0.912110 0.087890 0.367441 H\n0.367441 0.632559 0.912110 H\n0.632559 0.912110 0.367441 H\n0.087890 0.632559 0.367441 H\n0.367441 0.087890 0.632559 H\n0.912110 0.632559 0.087890 H\n0.367441 0.912110 0.087890 H\n0.912110 0.367441 0.632559 H\n0.087890 0.367441 0.912110 H\n0.632559 0.367441 0.087890 H\n0.087890 0.912110 0.632559 H\n0.632559 0.087890 0.912110 H\n",
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"updated_at": "2021-11-28T01:34:29.881000Z",
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},
{
"id": "mp-761285",
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"structure_string": "Sc2 V2 O7\n1.0\n4.532854 3.158177 0.000000\n-4.532854 3.158177 0.000000\n0.000000 0.904560 5.113569\nSc V O\n2 2 7\ndirect\n0.686026 0.313974 0.500000 Sc\n0.313974 0.686026 0.500000 Sc\n0.746388 0.746388 0.892471 V\n0.253612 0.253612 0.107529 V\n0.945388 0.604614 0.697570 O\n0.604614 0.945388 0.697570 O\n0.569276 0.569276 0.229847 O\n0.430724 0.430724 0.770153 O\n0.000000 0.000000 0.000000 O\n0.395386 0.054612 0.302430 O\n0.054612 0.395386 0.302430 O\n",
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"formula_full": "Sc2 V2 O7",
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]
}