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{
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{
"id": "mp-1114024",
"created_at": "2022-09-04T14:41:17.885799Z",
"structure_string": "Rb2 Na1 Er1 Cl6\n1.0\n0.000000 5.377134 5.377134\n5.377134 0.000000 5.377134\n5.377134 5.377134 0.000000\nRb Na Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.757299 0.242701 0.242701 Cl\n0.242701 0.242701 0.757299 Cl\n0.242701 0.757299 0.757299 Cl\n0.242701 0.757299 0.242701 Cl\n0.757299 0.242701 0.757299 Cl\n0.757299 0.757299 0.242701 Cl\n",
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{
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"spacegroup": 14
},
{
"id": "mp-1208809",
"created_at": "2022-09-04T14:41:17.894119Z",
"structure_string": "Sr6 V6 Bi4 O28\n1.0\n7.121850 0.000000 0.000000\n-2.482243 6.874051 0.000000\n-1.702127 -3.024166 13.872477\nSr V Bi O\n6 6 4 28\ndirect\n0.745257 0.315371 0.830993 Sr\n0.254743 0.684629 0.169007 Sr\n0.772913 0.832626 0.058087 Sr\n0.227087 0.167374 0.941913 Sr\n0.741622 0.911325 0.557639 Sr\n0.258378 0.088675 0.442361 Sr\n0.737528 0.390506 0.568088 V\n0.262472 0.609494 0.431912 V\n0.726990 0.833777 0.794794 V\n0.273010 0.166223 0.205206 V\n0.207760 0.653332 0.916794 V\n0.792240 0.346668 0.083206 V\n0.228872 0.879830 0.685378 Bi\n0.771128 0.120170 0.314622 Bi\n0.729694 0.632180 0.301923 Bi\n0.270306 0.367820 0.698077 Bi\n0.336292 0.814101 0.531094 O\n0.663708 0.185899 0.468906 O\n0.876574 0.929286 0.397487 O\n0.123426 0.070714 0.602513 O\n0.294714 0.839161 0.852340 O\n0.705286 0.160839 0.147660 O\n0.982445 0.656196 0.947132 O\n0.017555 0.343804 0.052868 O\n0.870766 0.329363 0.660481 O\n0.129234 0.670637 0.339519 O\n0.633972 0.821959 0.224825 O\n0.366028 0.178041 0.775175 O\n0.585225 0.588151 0.799949 O\n0.414775 0.411849 0.200051 O\n0.588961 0.930049 0.718777 O\n0.411039 0.069951 0.281223 O\n0.609456 0.317923 0.984865 O\n0.390544 0.682077 0.015135 O\n0.498884 0.613090 0.406004 O\n0.501116 0.386910 0.593996 O\n0.859318 0.589509 0.157772 O\n0.140682 0.410491 0.842228 O\n0.877317 0.617919 0.545657 O\n0.122683 0.382081 0.454343 O\n0.934992 0.850612 0.740310 O\n0.065008 0.149388 0.259690 O\n0.816100 0.993743 0.906084 O\n0.183900 0.006257 0.093916 O\n",
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],
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"volume": 679.1404306992378,
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"formula_full": "Sr6 V6 Bi4 O28",
"formula_reduced": "Sr3V3(BiO7)2",
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{
"id": "mp-1078908",
"created_at": "2022-09-04T14:41:17.791971Z",
"structure_string": "Ca4 Cd2 P4\n1.0\n2.106335 -8.062924 0.000000\n2.106335 8.062924 0.000000\n0.000000 0.000000 7.088012\nCa Cd P\n4 2 4\ndirect\n0.298870 0.701130 0.926290 Ca\n0.701130 0.298870 0.426290 Ca\n0.464839 0.535161 0.269872 Ca\n0.535161 0.464839 0.769872 Ca\n0.099198 0.900802 0.108249 Cd\n0.900802 0.099198 0.608249 Cd\n0.062842 0.937158 0.479763 P\n0.937158 0.062842 0.979763 P\n0.319246 0.680754 0.504495 P\n0.680754 0.319246 0.004495 P\n",
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"density": 3.5108899246031826,
"density_atomic": 0.04153608405886642,
"volume": 240.75452047495963,
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"formula_full": "Ca4 Cd2 P4",
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"formula_anonymous": "AB2C2",
"energy": -40.52944775,
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"updated_at": "2021-11-28T01:35:14.277000Z",
"spacegroup": 36
},
{
"id": "mp-669307",
"created_at": "2022-09-04T14:41:17.805335Z",
"structure_string": "Fe4 Sb4 Pt4\n1.0\n6.139285 0.000000 0.000000\n0.000000 6.139285 0.000000\n0.000000 0.000000 6.139285\nFe Sb Pt\n4 4 4\ndirect\n0.621568 0.378432 0.878432 Fe\n0.378432 0.878432 0.621568 Fe\n0.121568 0.121568 0.121568 Fe\n0.878432 0.621568 0.378432 Fe\n0.113203 0.386797 0.613203 Sb\n0.613203 0.113203 0.386797 Sb\n0.386797 0.613203 0.113203 Sb\n0.886797 0.886797 0.886797 Sb\n0.466861 0.033139 0.966861 Pt\n0.966861 0.466861 0.033139 Pt\n0.033139 0.966861 0.466861 Pt\n0.533139 0.533139 0.533139 Pt\n",
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],
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"density": 10.697992251152401,
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"volume": 231.394687774399,
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"formula_full": "Fe4 Sb4 Pt4",
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{
"id": "mp-760333",
"created_at": "2022-09-04T14:41:17.806872Z",
"structure_string": "Li10 V2 Cr6 O16\n1.0\n2.999609 -5.195474 0.000000\n2.999609 5.195474 0.000000\n0.000000 0.000000 9.928749\nLi V Cr O\n10 2 6 16\ndirect\n0.195327 0.804673 0.047295 Li\n0.609346 0.804673 0.047295 Li\n0.333333 0.666667 0.261394 Li\n0.195327 0.390654 0.047295 Li\n0.804673 0.609346 0.547295 Li\n0.000000 0.000000 0.471100 Li\n0.666667 0.333333 0.761394 Li\n0.390654 0.195327 0.547295 Li\n0.000000 0.000000 0.971100 Li\n0.804673 0.195327 0.547295 Li\n0.333333 0.666667 0.511465 V\n0.666667 0.333333 0.011465 V\n0.168155 0.831845 0.772838 Cr\n0.663690 0.831845 0.772838 Cr\n0.168155 0.336310 0.772838 Cr\n0.831845 0.663690 0.272838 Cr\n0.336310 0.168155 0.272838 Cr\n0.831845 0.168155 0.272838 Cr\n0.159789 0.840211 0.388258 O\n0.492093 0.984185 0.655709 O\n0.333333 0.666667 0.887839 O\n0.680423 0.840211 0.388258 O\n0.015815 0.507907 0.655709 O\n0.492093 0.507907 0.655709 O\n0.159789 0.319577 0.388258 O\n0.840211 0.680423 0.888258 O\n0.507907 0.492093 0.155709 O\n0.666667 0.333333 0.387839 O\n0.984185 0.492093 0.155709 O\n0.000000 0.000000 0.160977 O\n0.319577 0.159789 0.888258 O\n0.000000 0.000000 0.660977 O\n0.507907 0.015815 0.155709 O\n0.840211 0.159789 0.888258 O\n",
"nsites": 34,
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"formula_full": "Li10 V2 Cr6 O16",
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{
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"structure_string": "Mn8 O8 F8\n1.0\n4.812575 -0.109167 0.000000\n-0.442800 18.958447 0.000000\n0.000000 0.000000 3.088530\nMn O F\n8 8 8\ndirect\n0.958193 0.999934 0.000000 Mn\n0.132211 0.249198 0.000000 Mn\n0.020822 0.499458 0.000000 Mn\n0.917183 0.749430 0.000000 Mn\n0.554093 0.126078 0.500000 Mn\n0.574752 0.374717 0.500000 Mn\n0.471849 0.623571 0.500000 Mn\n0.369166 0.873716 0.500000 Mn\n0.294345 0.202000 0.500000 O\n0.122322 0.951820 0.500000 O\n0.297532 0.574572 0.000000 O\n0.393212 0.325999 0.000000 O\n0.198735 0.825341 0.000000 O\n0.742783 0.424952 0.000000 O\n0.644712 0.673621 0.000000 O\n0.804340 0.050412 0.500000 O\n0.220532 0.451223 0.500000 F\n0.124349 0.704333 0.500000 F\n0.334432 0.080586 0.000000 F\n0.787151 0.176617 0.000000 F\n0.597198 0.920452 0.000000 F\n0.913602 0.295096 0.500000 F\n0.819447 0.547126 0.500000 F\n0.707040 0.799752 0.500000 F\n",
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{
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"structure_string": "Na1 Ca1 Mg14\n1.0\n6.572024 0.012321 0.000000\n-3.275342 5.673058 0.000000\n0.000000 0.000000 10.533550\nNa Ca Mg\n1 1 14\ndirect\n0.169027 0.834513 0.125000 Na\n0.168128 0.334063 0.125000 Ca\n0.166716 0.333357 0.625000 Mg\n0.167601 0.833800 0.625000 Mg\n0.663278 0.327848 0.125000 Mg\n0.666219 0.332744 0.625000 Mg\n0.663278 0.835429 0.125000 Mg\n0.666219 0.833474 0.625000 Mg\n0.338694 0.168855 0.386656 Mg\n0.338694 0.168855 0.863344 Mg\n0.338694 0.669840 0.386656 Mg\n0.338694 0.669840 0.863344 Mg\n0.828444 0.164223 0.380863 Mg\n0.828444 0.164223 0.869137 Mg\n0.828935 0.664468 0.375618 Mg\n0.828935 0.664468 0.874382 Mg\n",
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"formula_full": "Na1 Ca1 Mg14",
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{
"id": "mp-1077518",
"created_at": "2022-09-04T14:41:17.811877Z",
"structure_string": "Er1 Cu4 Pd1\n1.0\n0.000000 3.517306 3.517306\n3.517306 0.000000 3.517306\n3.517306 3.517306 0.000000\nEr Cu Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.624141 0.624141 0.127578 Cu\n0.624141 0.127578 0.624141 Cu\n0.127578 0.624141 0.624141 Cu\n0.624141 0.624141 0.624141 Cu\n0.250000 0.250000 0.250000 Pd\n",
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{
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"structure_string": "Fe7 Ge4\n1.0\n2.030324 -3.516624 0.000000\n2.030324 3.516624 0.000000\n0.000000 0.000000 9.952472\nFe Ge\n7 4\ndirect\n0.000000 0.000000 0.876232 Fe\n0.000000 0.000000 0.376210 Fe\n0.000000 0.000000 0.123768 Fe\n0.000000 0.000000 0.623790 Fe\n0.666667 0.333333 0.500000 Fe\n0.333333 0.666667 0.759859 Fe\n0.333333 0.666667 0.240141 Fe\n0.666667 0.333333 0.752781 Ge\n0.666667 0.333333 0.247219 Ge\n0.333333 0.666667 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n",
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}