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{
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{
"id": "mp-1730",
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"structure_string": "Ba2 Ge2\n1.0\n2.548840 -6.088372 0.000000\n2.548840 6.088372 0.000000\n0.000000 0.000000 4.364163\nBa Ge\n2 2\ndirect\n0.136811 0.863189 0.250000 Ba\n0.863189 0.136811 0.750000 Ba\n0.435847 0.564153 0.250000 Ge\n0.564153 0.435847 0.750000 Ge\n",
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{
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"structure_string": "Ga2 Te4 O11\n1.0\n-5.244623 0.000000 0.000000\n2.296689 6.253018 0.000000\n-0.135674 -2.203390 -8.098378\nGa Te O\n2 4 11\ndirect\n0.390154 0.574936 0.605162 Ga\n0.100320 0.974668 0.988803 Ga\n0.355529 0.599500 0.190659 Te\n0.677985 0.182520 0.260466 Te\n0.148157 0.008173 0.605461 Te\n0.812344 0.445409 0.802418 Te\n0.442305 0.181822 0.089618 O\n0.973869 0.442833 0.190252 O\n0.828812 0.970811 0.137581 O\n0.477930 0.540386 0.382973 O\n0.085137 0.127713 0.831236 O\n0.019395 0.400738 0.615355 O\n0.448158 0.267137 0.595539 O\n0.352407 0.888843 0.300546 O\n0.372640 0.867205 0.664288 O\n0.116430 0.689541 0.943249 O\n0.701626 0.672966 0.756295 O\n",
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"formula_full": "Ga2 Te4 O11",
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{
"id": "mp-1099821",
"created_at": "2022-09-04T14:48:09.285219Z",
"structure_string": "K2 Na2 Mo1 W3 O12\n1.0\n4.003394 0.000000 0.000000\n0.000000 8.014773 0.000000\n0.000000 0.000000 8.024730\nK Na Mo W O\n2 2 1 3 12\ndirect\n0.500000 0.250423 0.251692 K\n0.500000 0.250423 0.748308 K\n0.500000 0.749868 0.251819 Na\n0.500000 0.749868 0.748181 Na\n0.000000 0.501654 0.500000 Mo\n0.000000 0.998480 0.000000 W\n0.000000 0.501676 0.000000 W\n0.000000 0.998668 0.500000 W\n0.500000 0.997264 0.000000 O\n0.500000 0.502859 0.000000 O\n0.500000 0.996786 0.500000 O\n0.500000 0.503027 0.500000 O\n0.000000 0.997126 0.240743 O\n0.000000 0.503096 0.239778 O\n0.000000 0.997126 0.759257 O\n0.000000 0.503096 0.760222 O\n0.000000 0.249268 0.000000 O\n0.000000 0.750749 0.000000 O\n0.000000 0.240137 0.500000 O\n0.000000 0.758405 0.500000 O\n",
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"formula_full": "K2 Na2 Mo1 W3 O12",
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},
{
"id": "mp-1188573",
"created_at": "2022-09-04T14:48:09.289403Z",
"structure_string": "Tm12 Ni4 Sn2\n1.0\n-4.623135 -4.735366 5.004431\n-4.623498 4.735709 -5.004422\n4.623502 -4.735167 -5.003909\nTm Ni Sn\n12 4 2\ndirect\n0.705796 0.267061 0.972847 Tm\n0.294230 0.733004 0.027247 Tm\n0.705808 0.732920 0.438726 Tm\n0.294205 0.266988 0.561192 Tm\n0.807959 0.134712 0.326767 Tm\n0.807966 0.481204 0.673266 Tm\n0.192020 0.865295 0.673230 Tm\n0.192039 0.518823 0.326736 Tm\n0.614783 0.795937 0.818848 Tm\n0.977081 0.795882 0.181183 Tm\n0.022886 0.204099 0.818793 Tm\n0.385213 0.204075 0.181126 Tm\n0.852759 0.500002 0.352745 Ni\n0.147316 0.499990 0.647329 Ni\n0.999964 0.128154 0.128119 Ni\n0.000012 0.871856 0.871883 Ni\n0.499952 0.499996 0.999946 Sn\n0.500011 0.000003 0.500015 Sn\n",
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"elements": [
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],
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"density": 9.471000811857476,
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"volume": 438.217487985519,
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"formula_full": "Tm12 Ni4 Sn2",
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"formula_anonymous": "AB2C6",
"energy": -92.59864951,
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{
"id": "mp-1210983",
"created_at": "2022-09-04T14:48:09.293820Z",
"structure_string": "Na12 Mn4 P32 O92\n1.0\n12.149426 0.000000 0.000000\n0.000000 12.149426 0.000000\n0.000000 0.000000 12.149426\nNa Mn P O\n12 4 32 92\ndirect\n0.125000 0.043401 0.293401 Na\n0.375000 0.956599 0.793401 Na\n0.875000 0.543401 0.206599 Na\n0.293401 0.125000 0.043401 Na\n0.793401 0.375000 0.956599 Na\n0.625000 0.456599 0.706599 Na\n0.706599 0.625000 0.456599 Na\n0.206599 0.875000 0.543401 Na\n0.043401 0.293401 0.125000 Na\n0.543401 0.206599 0.875000 Na\n0.456599 0.706599 0.625000 Na\n0.956599 0.793401 0.375000 Na\n0.375000 0.375000 0.375000 Mn\n0.125000 0.625000 0.875000 Mn\n0.625000 0.875000 0.125000 Mn\n0.875000 0.125000 0.625000 Mn\n0.017914 0.017914 0.017914 P\n0.482086 0.982086 0.517914 P\n0.982086 0.517914 0.482086 P\n0.767914 0.267914 0.232086 P\n0.517914 0.482086 0.982086 P\n0.732086 0.732086 0.732086 P\n0.267914 0.232086 0.767914 P\n0.232086 0.767914 0.267914 P\n0.108829 0.318663 0.396020 P\n0.391171 0.681337 0.896020 P\n0.891171 0.818663 0.103980 P\n0.396020 0.108829 0.318663 P\n0.068663 0.358829 0.853980 P\n0.608829 0.181337 0.603980 P\n0.896020 0.391171 0.681337 P\n0.431337 0.641171 0.353980 P\n0.103980 0.891171 0.818663 P\n0.568663 0.141171 0.146020 P\n0.603980 0.608829 0.181337 P\n0.931337 0.858829 0.646020 P\n0.318663 0.396020 0.108829 P\n0.858829 0.646020 0.931337 P\n0.818663 0.103980 0.891171 P\n0.641171 0.353980 0.431337 P\n0.181337 0.603980 0.608829 P\n0.358829 0.853980 0.068663 P\n0.681337 0.896020 0.391171 P\n0.141171 0.146020 0.568663 P\n0.853980 0.068663 0.358829 P\n0.353980 0.431337 0.641171 P\n0.646020 0.931337 0.858829 P\n0.146020 0.568663 0.141171 P\n0.208601 0.387290 0.370324 O\n0.291399 0.612710 0.870324 O\n0.791399 0.887290 0.129676 O\n0.370324 0.208601 0.387290 O\n0.137290 0.458601 0.879676 O\n0.708601 0.112710 0.629676 O\n0.870324 0.291399 0.612710 O\n0.362710 0.541399 0.379676 O\n0.129676 0.791399 0.887290 O\n0.637290 0.041399 0.120324 O\n0.629676 0.708601 0.112710 O\n0.862710 0.958601 0.620324 O\n0.387290 0.370324 0.208601 O\n0.958601 0.620324 0.862710 O\n0.887290 0.129676 0.791399 O\n0.541399 0.379676 0.362710 O\n0.112710 0.629676 0.708601 O\n0.458601 0.879676 0.137290 O\n0.612710 0.870324 0.291399 O\n0.041399 0.120324 0.637290 O\n0.879676 0.137290 0.458601 O\n0.379676 0.362710 0.541399 O\n0.620324 0.862710 0.958601 O\n0.120324 0.637290 0.041399 O\n0.125000 0.266537 0.516537 O\n0.375000 0.733463 0.016537 O\n0.875000 0.766537 0.983463 O\n0.516537 0.125000 0.266537 O\n0.016537 0.375000 0.733463 O\n0.625000 0.233463 0.483463 O\n0.483463 0.625000 0.233463 O\n0.983463 0.875000 0.766537 O\n0.266537 0.516537 0.125000 O\n0.766537 0.983463 0.875000 O\n0.233463 0.483463 0.625000 O\n0.733463 0.016537 0.375000 O\n0.008624 0.404586 0.424231 O\n0.491376 0.595414 0.924231 O\n0.991376 0.904586 0.075769 O\n0.424231 0.008624 0.404586 O\n0.154586 0.258624 0.825769 O\n0.508624 0.095414 0.575769 O\n0.924231 0.491376 0.595414 O\n0.345414 0.741376 0.325769 O\n0.075769 0.991376 0.904586 O\n0.654586 0.241376 0.174231 O\n0.575769 0.508624 0.095414 O\n0.845414 0.758624 0.674231 O\n0.404586 0.424231 0.008624 O\n0.758624 0.674231 0.845414 O\n0.904586 0.075769 0.991376 O\n0.741376 0.325769 0.345414 O\n0.095414 0.575769 0.508624 O\n0.258624 0.825769 0.154586 O\n0.595414 0.924231 0.491376 O\n0.241376 0.174231 0.654586 O\n0.825769 0.154586 0.258624 O\n0.325769 0.345414 0.741376 O\n0.674231 0.845414 0.758624 O\n0.174231 0.654586 0.241376 O\n0.067861 0.238000 0.313680 O\n0.432139 0.762000 0.813680 O\n0.932139 0.738000 0.186320 O\n0.313680 0.067861 0.238000 O\n0.988000 0.317861 0.936320 O\n0.567861 0.262000 0.686320 O\n0.813680 0.432139 0.762000 O\n0.512000 0.682139 0.436320 O\n0.186320 0.932139 0.738000 O\n0.488000 0.182139 0.063680 O\n0.686320 0.567861 0.262000 O\n0.012000 0.817861 0.563680 O\n0.238000 0.313680 0.067861 O\n0.817861 0.563680 0.012000 O\n0.738000 0.186320 0.932139 O\n0.682139 0.436320 0.512000 O\n0.262000 0.686320 0.567861 O\n0.317861 0.936320 0.988000 O\n0.762000 0.813680 0.432139 O\n0.182139 0.063680 0.488000 O\n0.936320 0.988000 0.317861 O\n0.436320 0.512000 0.682139 O\n0.563680 0.012000 0.817861 O\n0.063680 0.488000 0.182139 O\n0.088280 0.088280 0.088280 O\n0.411720 0.911720 0.588280 O\n0.911720 0.588280 0.411720 O\n0.838280 0.338280 0.161720 O\n0.588280 0.411720 0.911720 O\n0.661720 0.661720 0.661720 O\n0.338280 0.161720 0.838280 O\n0.161720 0.838280 0.338280 O\n",
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"formula_full": "Na12 Mn4 P32 O92",
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{
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"structure_string": "V4 Cr1 Fe3 O16\n1.0\n4.543926 5.022832 0.000000\n-4.543926 5.022832 0.000000\n0.000000 2.082753 6.630780\nV Cr Fe O\n4 1 3 16\ndirect\n0.749677 0.250323 0.000000 V\n0.249705 0.750295 0.000000 V\n0.272734 0.271092 0.597794 V\n0.728908 0.727266 0.402206 V\n0.819237 0.180763 0.500000 Cr\n0.186532 0.813468 0.500000 Fe\n0.793949 0.794576 0.864435 Fe\n0.205424 0.206051 0.135565 Fe\n0.108645 0.800078 0.799596 O\n0.798800 0.108913 0.799840 O\n0.891087 0.201200 0.200160 O\n0.199922 0.891356 0.200404 O\n0.788803 0.497645 0.890516 O\n0.496992 0.789189 0.890746 O\n0.210811 0.503008 0.109254 O\n0.502355 0.211197 0.109484 O\n0.201868 0.202330 0.857431 O\n0.797670 0.798132 0.142569 O\n0.859059 0.862817 0.541497 O\n0.137183 0.140941 0.458503 O\n0.206400 0.521685 0.526224 O\n0.522901 0.206976 0.526034 O\n0.793024 0.477099 0.473966 O\n0.478315 0.793600 0.473776 O\n",
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{
"id": "mp-1104558",
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"structure_string": "Bi10 Mo3\n1.0\n2.453167 10.008945 0.000000\n-2.453167 10.008945 0.000000\n0.000000 1.019598 7.348241\nBi Mo\n10 3\ndirect\n0.763067 0.763067 0.842891 Bi\n0.236933 0.236933 0.157109 Bi\n0.138835 0.138835 0.828706 Bi\n0.861165 0.861165 0.171294 Bi\n0.528534 0.528534 0.775288 Bi\n0.471466 0.471466 0.224712 Bi\n0.325052 0.325052 0.580604 Bi\n0.674948 0.674948 0.419396 Bi\n0.928502 0.928502 0.682398 Bi\n0.071498 0.071498 0.317602 Bi\n0.000000 0.000000 0.000000 Mo\n0.378012 0.378012 0.923186 Mo\n0.621988 0.621988 0.076814 Mo\n",
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{
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{
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