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{
"id": "mp-1044544",
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"structure_string": "Ba1 Ca1 Mn4 O8\n1.0\n2.796051 -4.842903 0.000000\n2.796051 4.842903 0.000000\n0.000000 0.000000 7.693293\nBa Ca Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.755946 Mn\n0.666667 0.333333 0.755946 Mn\n0.333333 0.666667 0.244054 Mn\n0.666667 0.333333 0.244054 Mn\n0.324822 0.324822 0.700596 O\n0.675178 0.000000 0.700596 O\n0.000000 0.675178 0.700596 O\n0.675178 0.675178 0.299404 O\n0.000000 0.324822 0.299404 O\n0.324822 0.000000 0.299404 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
"id": "mp-1209505",
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"structure_string": "Rb6 Zr12 Be2 Cl30\n1.0\n5.841729 8.404638 0.000000\n-5.841729 8.404638 0.000000\n0.000000 0.751581 14.359057\nRb Zr Be Cl\n6 12 2 30\ndirect\n0.938738 0.061262 0.250000 Rb\n0.061262 0.938738 0.750000 Rb\n0.641245 0.130103 0.566363 Rb\n0.358755 0.869897 0.433637 Rb\n0.869897 0.358755 0.933637 Rb\n0.130103 0.641245 0.066363 Rb\n0.546476 0.849633 0.133738 Zr\n0.453524 0.150367 0.866262 Zr\n0.150367 0.453524 0.366262 Zr\n0.849633 0.546476 0.633738 Zr\n0.272250 0.998903 0.001397 Zr\n0.727750 0.001097 0.998603 Zr\n0.001097 0.727750 0.498603 Zr\n0.998903 0.272250 0.501397 Zr\n0.425544 0.195636 0.096632 Zr\n0.574456 0.804364 0.903368 Zr\n0.804364 0.574456 0.403368 Zr\n0.195636 0.425544 0.596632 Zr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.292653 0.844028 0.150711 Cl\n0.707347 0.155972 0.849289 Cl\n0.155972 0.707347 0.349289 Cl\n0.844028 0.292653 0.650711 Cl\n0.583003 0.670604 0.287868 Cl\n0.416997 0.329396 0.712132 Cl\n0.329396 0.416997 0.212132 Cl\n0.670604 0.583003 0.787868 Cl\n0.672841 0.218986 0.100901 Cl\n0.327159 0.781014 0.899099 Cl\n0.781014 0.327159 0.399099 Cl\n0.218986 0.672841 0.600901 Cl\n0.481264 0.048025 0.250365 Cl\n0.518736 0.951975 0.749635 Cl\n0.951975 0.518736 0.249635 Cl\n0.048025 0.481264 0.750365 Cl\n0.622417 0.629969 0.540778 Cl\n0.377583 0.370031 0.459222 Cl\n0.370031 0.377583 0.959222 Cl\n0.629969 0.622417 0.040778 Cl\n0.802791 0.842336 0.144927 Cl\n0.197209 0.157664 0.855073 Cl\n0.157664 0.197209 0.355073 Cl\n0.842336 0.802791 0.644927 Cl\n0.782686 0.837425 0.399422 Cl\n0.217314 0.162575 0.600578 Cl\n0.162575 0.217314 0.100578 Cl\n0.837425 0.782686 0.899422 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 50,
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],
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"volume": 1409.9909776163308,
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"formula_full": "Rb6 Zr12 Be2 Cl30",
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"spacegroup": 15
},
{
"id": "mp-867753",
"created_at": "2022-09-04T14:45:55.431879Z",
"structure_string": "Cu1 Sb1 Rh2\n1.0\n0.000000 3.114008 3.114008\n3.114008 0.000000 3.114008\n3.114008 3.114008 0.000000\nCu Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
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},
{
"id": "mp-752729",
"created_at": "2022-09-04T14:45:55.448434Z",
"structure_string": "Ca4 Tb8 O16\n1.0\n3.402733 0.000000 0.000000\n0.000000 9.990290 0.000000\n0.000000 0.000000 11.862852\nCa Tb O\n4 8 16\ndirect\n0.750000 0.249742 0.648795 Ca\n0.250000 0.250258 0.148795 Ca\n0.750000 0.749742 0.851205 Ca\n0.250000 0.750258 0.351205 Ca\n0.750000 0.078377 0.388497 Tb\n0.750000 0.078594 0.886268 Tb\n0.250000 0.421406 0.386268 Tb\n0.250000 0.421623 0.888497 Tb\n0.750000 0.578377 0.111503 Tb\n0.750000 0.578594 0.613732 Tb\n0.250000 0.921406 0.113732 Tb\n0.250000 0.921623 0.611503 Tb\n0.250000 0.020455 0.282279 O\n0.750000 0.078216 0.079405 O\n0.250000 0.132802 0.523710 O\n0.250000 0.211051 0.812660 O\n0.750000 0.288949 0.312660 O\n0.750000 0.367198 0.023710 O\n0.250000 0.421784 0.579405 O\n0.750000 0.479545 0.782279 O\n0.250000 0.520455 0.217721 O\n0.750000 0.578216 0.420595 O\n0.250000 0.632802 0.976290 O\n0.250000 0.711051 0.687340 O\n0.750000 0.788949 0.187340 O\n0.750000 0.867198 0.476290 O\n0.250000 0.921784 0.920595 O\n0.750000 0.979545 0.717721 O\n",
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"elements": [
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"formula_full": "Ca4 Tb8 O16",
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},
{
"id": "mp-1093826",
"created_at": "2022-09-04T14:45:55.504123Z",
"structure_string": "Hf2 Fe1 Rh1\n1.0\n-4.436549 5.223461 7.271379\n4.436549 -5.223461 7.271379\n4.436549 5.223461 -7.271379\nHf Fe Rh\n2 1 1\ndirect\n0.000000 0.238246 0.238246 Hf\n0.000000 0.761754 0.761754 Hf\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Rh\n",
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"volume": 674.0318394206374,
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"formula_full": "Hf2 Fe1 Rh1",
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{
"id": "mp-1212852",
"created_at": "2022-09-04T14:45:55.449177Z",
"structure_string": "La30 Ge18 P2\n1.0\n7.871813 -13.634381 0.000000\n7.871813 13.634381 0.000000\n0.000000 0.000000 6.978099\nLa Ge P\n30 18 2\ndirect\n0.581475 0.418525 0.255745 La\n0.581475 0.162949 0.255745 La\n0.418525 0.581475 0.755745 La\n0.837051 0.418525 0.255745 La\n0.418525 0.837051 0.755745 La\n0.162949 0.581475 0.755745 La\n0.341033 0.017055 0.005580 La\n0.982945 0.323978 0.005580 La\n0.658967 0.982945 0.505580 La\n0.982945 0.658967 0.005580 La\n0.676022 0.658967 0.005580 La\n0.017055 0.676022 0.505580 La\n0.676022 0.017055 0.005580 La\n0.017055 0.341033 0.505580 La\n0.323978 0.341033 0.505580 La\n0.323978 0.982945 0.505580 La\n0.341033 0.323978 0.005580 La\n0.658967 0.676022 0.505580 La\n0.917763 0.082237 0.280507 La\n0.917763 0.835526 0.280507 La\n0.082237 0.917763 0.780507 La\n0.164474 0.082237 0.280507 La\n0.082237 0.164474 0.780507 La\n0.835526 0.917763 0.780507 La\n0.248837 0.751163 0.228735 La\n0.248837 0.497675 0.228735 La\n0.751163 0.248837 0.728735 La\n0.502325 0.751163 0.228735 La\n0.751163 0.502325 0.728735 La\n0.497675 0.248837 0.728735 La\n0.800863 0.199137 0.289371 Ge\n0.800863 0.601726 0.289371 Ge\n0.199137 0.800863 0.789371 Ge\n0.398274 0.199137 0.289371 Ge\n0.199137 0.398274 0.789371 Ge\n0.601726 0.800863 0.789371 Ge\n0.130196 0.869804 0.228265 Ge\n0.130196 0.260392 0.228265 Ge\n0.869804 0.130196 0.728265 Ge\n0.739608 0.869804 0.228265 Ge\n0.869804 0.739608 0.728265 Ge\n0.260392 0.130196 0.728265 Ge\n0.465876 0.534124 0.243076 Ge\n0.465876 0.931753 0.243076 Ge\n0.534124 0.465876 0.743076 Ge\n0.068247 0.534124 0.243076 Ge\n0.534124 0.068247 0.743076 Ge\n0.931753 0.465876 0.743076 Ge\n0.333333 0.666667 0.993703 P\n0.666667 0.333333 0.493703 P\n",
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{
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{
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"structure_string": "Ba1 Sr1 Ca2\n1.0\n-7.573049 7.701679 10.711418\n7.573049 -7.701679 10.711418\n7.573049 7.701679 -10.711418\nBa Sr Ca\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.268036 0.000000 0.268036 Ca\n0.731964 0.000000 0.731964 Ca\n",
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{
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{
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"structure_string": "Na1 Cu3 Te2\n1.0\n8.010041 -2.138483 0.000000\n8.010041 2.138483 0.000000\n7.439118 0.000000 3.659697\nNa Cu Te\n1 3 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.632719 0.632719 0.632719 Cu\n0.367281 0.367281 0.367281 Cu\n0.253363 0.253363 0.253363 Te\n0.746637 0.746637 0.746637 Te\n",
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}