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{
"id": "mp-21385",
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"structure_string": "In3 Ni2\n1.0\n2.223462 -3.851150 0.000000\n2.223462 3.851150 0.000000\n0.000000 0.000000 5.320177\nIn Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.354628 In\n0.333333 0.666667 0.645372 In\n0.666667 0.333333 0.860180 Ni\n0.333333 0.666667 0.139820 Ni\n",
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{
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"structure_string": "Li24 Mn12 F48\n1.0\n7.330472 0.000000 0.000000\n0.000000 8.856178 0.000000\n0.000000 8.574506 15.553313\nLi Mn F\n24 12 48\ndirect\n0.652704 0.157920 0.908800 Li\n0.250919 0.156176 0.908882 Li\n0.806833 0.822976 0.253765 Li\n0.252467 0.812411 0.264660 Li\n0.676143 0.518130 0.579144 Li\n0.257334 0.533967 0.579776 Li\n0.757334 0.466033 0.920224 Li\n0.176143 0.481870 0.920856 Li\n0.752467 0.187589 0.235340 Li\n0.306833 0.177024 0.246235 Li\n0.750919 0.843824 0.591118 Li\n0.152704 0.842080 0.591200 Li\n0.847296 0.157920 0.408800 Li\n0.249081 0.156176 0.408882 Li\n0.693167 0.822976 0.753765 Li\n0.247533 0.812411 0.764660 Li\n0.823857 0.518130 0.079144 Li\n0.242666 0.533967 0.079776 Li\n0.742666 0.466033 0.420224 Li\n0.323857 0.481870 0.420856 Li\n0.747533 0.187589 0.735340 Li\n0.193167 0.177024 0.746235 Li\n0.749081 0.843824 0.091118 Li\n0.347296 0.842080 0.091200 Li\n0.961910 0.821201 0.412497 Mn\n0.974140 0.493805 0.745431 Mn\n0.036938 0.158268 0.079581 Mn\n0.474140 0.506195 0.754569 Mn\n0.536938 0.841732 0.420419 Mn\n0.461910 0.178799 0.087503 Mn\n0.538090 0.821201 0.912497 Mn\n0.463062 0.158268 0.579581 Mn\n0.525860 0.493805 0.245431 Mn\n0.963062 0.841732 0.920419 Mn\n0.025860 0.506195 0.254569 Mn\n0.038090 0.178799 0.587503 Mn\n0.553725 0.928742 0.129563 F\n0.925922 0.909230 0.145867 F\n0.756620 0.622886 0.463444 F\n0.028762 0.729087 0.324953 F\n0.389889 0.717409 0.367544 F\n0.705427 0.324262 0.791188 F\n0.246907 0.064039 0.028587 F\n0.284461 0.402502 0.702418 F\n0.469901 0.670083 0.550655 F\n0.599169 0.274620 0.971687 F\n0.789449 0.603336 0.645917 F\n0.240711 0.053669 0.188754 F\n0.289449 0.396664 0.854083 F\n0.740711 0.946331 0.311246 F\n0.099169 0.725380 0.528313 F\n0.969901 0.329917 0.949345 F\n0.784461 0.597498 0.797582 F\n0.205427 0.675738 0.708812 F\n0.746907 0.935961 0.471413 F\n0.889889 0.282591 0.132456 F\n0.528762 0.270913 0.175047 F\n0.256620 0.377114 0.036556 F\n0.425922 0.090770 0.354133 F\n0.053725 0.071258 0.370437 F\n0.946275 0.928742 0.629563 F\n0.574078 0.909230 0.645867 F\n0.743380 0.622886 0.963444 F\n0.471238 0.729087 0.824953 F\n0.110111 0.717409 0.867544 F\n0.253093 0.064039 0.528587 F\n0.794573 0.324262 0.291188 F\n0.215539 0.402502 0.202418 F\n0.030099 0.670083 0.050655 F\n0.900831 0.274620 0.471687 F\n0.259289 0.053669 0.688754 F\n0.710551 0.603336 0.145917 F\n0.759289 0.946331 0.811246 F\n0.210551 0.396664 0.354083 F\n0.400831 0.725380 0.028313 F\n0.530099 0.329917 0.449345 F\n0.715539 0.597498 0.297582 F\n0.753093 0.935961 0.971413 F\n0.294573 0.675738 0.208812 F\n0.610111 0.282591 0.632456 F\n0.971238 0.270913 0.675047 F\n0.243380 0.377114 0.536556 F\n0.074078 0.090770 0.854133 F\n0.446275 0.071258 0.870437 F\n",
"nsites": 84,
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"elements": [
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"volume": 1009.7205333546169,
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"formula_full": "Li24 Mn12 F48",
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"spacegroup": 14
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{
"id": "mp-1200685",
"created_at": "2022-09-04T14:47:19.975021Z",
"structure_string": "Si16 O32\n1.0\n5.158774 -6.367331 0.000000\n5.158774 6.367331 0.000000\n0.000000 0.000000 14.168736\nSi O\n16 32\ndirect\n0.186758 0.588633 0.317287 Si\n0.588633 0.186758 0.682713 Si\n0.813242 0.411367 0.317287 Si\n0.411367 0.813242 0.682713 Si\n0.313253 0.909299 0.184589 Si\n0.909299 0.313253 0.815411 Si\n0.686747 0.090701 0.184589 Si\n0.090701 0.686747 0.815411 Si\n0.337441 0.662559 0.500000 Si\n0.662559 0.337441 0.500000 Si\n0.500000 0.500000 0.364450 Si\n0.500000 0.500000 0.635550 Si\n0.000000 0.000000 0.138911 Si\n0.000000 0.000000 0.861089 Si\n0.160705 0.839295 0.000000 Si\n0.839295 0.160705 0.000000 Si\n0.000000 0.500000 0.284338 O\n0.500000 0.000000 0.715662 O\n0.253040 0.747976 0.250496 O\n0.747976 0.253040 0.749504 O\n0.746960 0.252024 0.250496 O\n0.252024 0.746960 0.749504 O\n0.177032 0.642622 0.429388 O\n0.642622 0.177032 0.570612 O\n0.822968 0.357378 0.429388 O\n0.357378 0.822968 0.570612 O\n0.323491 0.467062 0.305723 O\n0.467062 0.323491 0.694277 O\n0.676509 0.532938 0.305723 O\n0.532938 0.676509 0.694277 O\n0.320402 0.858627 0.071566 O\n0.858627 0.320402 0.928434 O\n0.679598 0.141373 0.071566 O\n0.141373 0.679598 0.928434 O\n0.174657 0.028319 0.199266 O\n0.028319 0.174657 0.800734 O\n0.825343 0.971681 0.199266 O\n0.971681 0.825343 0.800734 O\n0.499293 0.667726 0.429461 O\n0.667726 0.499293 0.570539 O\n0.500707 0.332274 0.429461 O\n0.332274 0.500707 0.570539 O\n0.500000 0.000000 0.216758 O\n0.000000 0.500000 0.783242 O\n0.999530 0.165643 0.071972 O\n0.165643 0.999530 0.928028 O\n0.000470 0.834357 0.071972 O\n0.834357 0.000470 0.928028 O\n",
"nsites": 48,
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"elements": [
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"chemical_system": "O-Si",
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"volume": 930.8185577021425,
"volume_molar": 11.678167451046843,
"formula_full": "Si16 O32",
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"spacegroup": 21
},
{
"id": "mp-1208434",
"created_at": "2022-09-04T14:47:19.984916Z",
"structure_string": "Ta2 Si1 As2\n1.0\n2.723493 0.000000 0.000000\n0.000000 2.723493 0.000000\n0.000000 0.000000 13.421393\nTa Si As\n2 1 2\ndirect\n0.500000 0.500000 0.189333 Ta\n0.500000 0.500000 0.810667 Ta\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.605915 As\n0.500000 0.500000 0.394085 As\n",
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},
{
"id": "mp-1227663",
"created_at": "2022-09-04T14:47:20.038984Z",
"structure_string": "Ca3 La1 Si8\n1.0\n4.313694 0.000000 0.000000\n0.000000 4.313694 0.000000\n0.000000 0.000000 13.506403\nCa La Si\n3 1 8\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.749063 Ca\n0.000000 0.500000 0.250937 Ca\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.914814 Si\n0.500000 0.500000 0.415100 Si\n0.000000 0.500000 0.835320 Si\n0.500000 0.000000 0.335089 Si\n0.000000 0.000000 0.085186 Si\n0.500000 0.500000 0.584900 Si\n0.500000 0.000000 0.164680 Si\n0.000000 0.500000 0.664911 Si\n",
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{
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{
"id": "mp-776250",
"created_at": "2022-09-04T14:47:20.002763Z",
"structure_string": "Zr4 N4 O2\n1.0\n3.488929 0.000000 0.000000\n-0.003420 4.351497 0.000000\n-0.042753 -1.629953 8.629424\nZr N O\n4 4 2\ndirect\n0.737741 0.291871 0.106740 Zr\n0.754229 0.119668 0.670977 Zr\n0.245771 0.880332 0.329023 Zr\n0.262259 0.708129 0.893260 Zr\n0.243733 0.331809 0.248476 N\n0.263948 0.213709 0.899856 N\n0.736052 0.786291 0.100144 N\n0.756267 0.668191 0.751524 N\n0.748276 0.811576 0.437762 O\n0.251724 0.188424 0.562238 O\n",
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{
"id": "mp-1175095",
"created_at": "2022-09-04T14:47:20.007370Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.877236 0.111743 0.172140\n-0.797043 14.526260 -0.399385\n-0.213174 0.159427 5.146450\nLi Mn Co O\n7 2 3 12\ndirect\n0.987512 0.188423 0.699158 Li\n0.510299 0.494786 0.488626 Li\n0.998398 0.827063 0.335493 Li\n0.494362 0.174007 0.176261 Li\n0.004562 0.489423 0.973277 Li\n0.493540 0.829523 0.834817 Li\n0.500871 0.335390 0.834887 Li\n0.997946 0.000089 0.000635 Mn\n0.002520 0.333432 0.332997 Mn\n0.001347 0.665026 0.664185 Co\n0.497488 0.000976 0.502166 Co\n0.500945 0.664683 0.163086 Co\n0.508714 0.075231 0.860011 O\n0.001889 0.410398 0.631717 O\n0.483253 0.745059 0.504957 O\n0.000744 0.069619 0.316645 O\n0.512564 0.406593 0.181499 O\n0.981923 0.743674 0.003630 O\n0.493022 0.258081 0.487931 O\n0.020559 0.591377 0.324840 O\n0.487791 0.924241 0.141752 O\n0.003491 0.255849 0.033461 O\n0.521192 0.589153 0.824725 O\n0.995069 0.927905 0.683244 O\n",
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{
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