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{
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{
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{
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{
"id": "mp-1221310",
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"structure_string": "Na8 Sr12 As16\n1.0\n7.567562 0.000000 0.000000\n0.000000 8.307951 0.000000\n0.000000 8.295328 15.737984\nNa Sr As\n8 12 16\ndirect\n0.856771 0.259201 0.250487 Na\n0.356771 0.740799 0.249513 Na\n0.143229 0.740799 0.749513 Na\n0.643229 0.259201 0.750487 Na\n0.678634 0.051534 0.125728 Na\n0.178634 0.948466 0.374272 Na\n0.321366 0.948466 0.874272 Na\n0.821366 0.051534 0.625728 Na\n0.522593 0.594241 0.099389 Sr\n0.022593 0.405759 0.400611 Sr\n0.476904 0.710459 0.599818 Sr\n0.976904 0.289541 0.900182 Sr\n0.477407 0.405759 0.900611 Sr\n0.977407 0.594241 0.599389 Sr\n0.523096 0.289541 0.400182 Sr\n0.023096 0.710459 0.099818 Sr\n0.321140 0.191396 0.627771 Sr\n0.821140 0.808604 0.872229 Sr\n0.678860 0.808604 0.372229 Sr\n0.178860 0.191396 0.127771 Sr\n0.849739 0.430838 0.036710 As\n0.349739 0.569162 0.463290 As\n0.148029 0.995346 0.536161 As\n0.648029 0.004654 0.963839 As\n0.150261 0.569162 0.963290 As\n0.650261 0.430838 0.536710 As\n0.851971 0.004654 0.463839 As\n0.351971 0.995346 0.036161 As\n0.739304 0.620691 0.250616 As\n0.239304 0.379309 0.249384 As\n0.260696 0.379309 0.749384 As\n0.760696 0.620691 0.750616 As\n0.980094 0.834263 0.249811 As\n0.480094 0.165737 0.250189 As\n0.019906 0.165737 0.750189 As\n0.519906 0.834263 0.749811 As\n",
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{
"id": "mp-686540",
"created_at": "2022-09-04T14:44:16.840042Z",
"structure_string": "Na6 Al4 P4 O16 F6\n1.0\n4.438742 -5.263191 0.000000\n4.438742 5.263191 0.000000\n0.000000 0.000000 8.856878\nNa Al P O F\n6 4 4 16 6\ndirect\n0.525371 0.525371 0.989147 Na\n0.761196 0.761196 0.221890 Na\n0.111342 0.111342 0.355629 Na\n0.238804 0.238804 0.721890 Na\n0.474629 0.474629 0.489147 Na\n0.888658 0.888658 0.855629 Na\n0.426125 0.066100 0.004450 Al\n0.066100 0.426125 0.004450 Al\n0.933900 0.573875 0.504450 Al\n0.573875 0.933900 0.504450 Al\n0.747617 0.251112 0.248395 P\n0.251112 0.747617 0.248395 P\n0.252383 0.748888 0.748395 P\n0.748888 0.252383 0.748395 P\n0.564717 0.242091 0.147741 O\n0.736627 0.063545 0.348466 O\n0.936865 0.258155 0.154099 O\n0.761812 0.439171 0.348123 O\n0.242091 0.564717 0.147741 O\n0.063545 0.736627 0.348466 O\n0.258155 0.936865 0.154099 O\n0.439171 0.761812 0.348123 O\n0.063135 0.741845 0.654099 O\n0.238188 0.560829 0.848123 O\n0.435283 0.757909 0.647741 O\n0.263373 0.936455 0.848466 O\n0.741845 0.063135 0.654099 O\n0.560829 0.238188 0.848123 O\n0.757909 0.435283 0.647741 O\n0.936455 0.263373 0.848466 O\n0.249795 0.249795 0.996090 F\n0.598792 0.887957 0.004461 F\n0.887957 0.598792 0.004461 F\n0.750205 0.750205 0.496090 F\n0.112043 0.401208 0.504461 F\n0.401208 0.112043 0.504461 F\n",
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{
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"structure_string": "Rb2 Gd2 Mo4 O16\n1.0\n5.302112 5.437315 0.000000\n-5.302112 5.437315 0.000000\n0.000000 5.132052 5.887846\nRb Gd Mo O\n2 2 4 16\ndirect\n0.199102 0.800898 0.750000 Rb\n0.800898 0.199102 0.250000 Rb\n0.770538 0.229462 0.750000 Gd\n0.229462 0.770538 0.250000 Gd\n0.694475 0.696070 0.762639 Mo\n0.305525 0.303930 0.237361 Mo\n0.303930 0.305525 0.737361 Mo\n0.696070 0.694475 0.262639 Mo\n0.615698 0.764501 0.562374 O\n0.384302 0.235499 0.437626 O\n0.235499 0.384302 0.937626 O\n0.764501 0.615698 0.062374 O\n0.383301 0.070315 0.872693 O\n0.616699 0.929685 0.127307 O\n0.929685 0.616699 0.627307 O\n0.070315 0.383301 0.372693 O\n0.583544 0.368315 0.971466 O\n0.416456 0.631685 0.028534 O\n0.631685 0.416456 0.528534 O\n0.368315 0.583544 0.471466 O\n0.792583 0.949733 0.692148 O\n0.207417 0.050267 0.307852 O\n0.050267 0.207417 0.807852 O\n0.949733 0.792583 0.192148 O\n",
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{
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"structure_string": "V3 Fe3 Te2 O16\n1.0\n5.960070 0.000000 0.000000\n2.948676 5.221751 0.000000\n0.107827 0.053841 10.496641\nV Fe Te O\n3 3 2 16\ndirect\n0.816825 0.357330 0.756523 V\n0.116822 0.210115 0.303881 V\n0.645059 0.154550 0.266427 V\n0.332865 0.838252 0.786795 Fe\n0.826573 0.835170 0.786517 Fe\n0.181883 0.663384 0.300695 Fe\n0.640283 0.724690 0.506749 Te\n0.329711 0.334190 0.977082 Te\n0.331268 0.855576 0.396563 O\n0.520305 0.957966 0.658642 O\n0.675796 0.639149 0.873345 O\n0.991378 0.016523 0.702789 O\n0.002170 0.009661 0.209772 O\n0.823644 0.858716 0.400050 O\n0.532605 0.492178 0.670354 O\n0.966947 0.498202 0.669358 O\n0.168548 0.655904 0.880311 O\n0.859492 0.312555 0.402946 O\n0.029924 0.473597 0.204207 O\n0.509556 0.459721 0.197128 O\n0.353268 0.296579 0.385748 O\n0.172274 0.167844 0.888575 O\n0.517366 0.020713 0.171820 O\n0.655240 0.167433 0.888005 O\n",
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{
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{
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"structure_string": "Ti1 Cr3 Cu2 Se8\n1.0\n6.248902 -3.748054 0.000000\n6.248902 3.748054 0.000000\n4.000842 0.000000 6.090152\nTi Cr Cu Se\n1 3 2 8\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.123858 0.123858 0.123858 Cu\n0.876142 0.876142 0.876142 Cu\n0.254317 0.731402 0.254317 Se\n0.254317 0.254317 0.731402 Se\n0.731402 0.254317 0.254317 Se\n0.259130 0.259130 0.259130 Se\n0.745683 0.268598 0.745683 Se\n0.745683 0.745683 0.268598 Se\n0.268598 0.745683 0.745683 Se\n0.740870 0.740870 0.740870 Se\n",
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"structure_string": "Hg8 S8 O32\n1.0\n14.138941 0.000000 0.000000\n0.000000 5.177992 0.000000\n0.000000 2.275755 11.423947\nHg S O\n8 8 32\ndirect\n0.136050 0.790386 0.102912 Hg\n0.636050 0.209614 0.397088 Hg\n0.863950 0.209614 0.897088 Hg\n0.363950 0.790386 0.602912 Hg\n0.137890 0.842618 0.319748 Hg\n0.637890 0.157382 0.180252 Hg\n0.862110 0.157382 0.680252 Hg\n0.362110 0.842618 0.819748 Hg\n0.113173 0.486309 0.877029 S\n0.613173 0.513691 0.622971 S\n0.886827 0.513691 0.122971 S\n0.386827 0.486309 0.377029 S\n0.127181 0.159121 0.535840 S\n0.627181 0.840879 0.964160 S\n0.872819 0.840879 0.464160 S\n0.372819 0.159121 0.035840 S\n0.075406 0.282340 0.972431 O\n0.575406 0.717660 0.527569 O\n0.924594 0.717660 0.027569 O\n0.424594 0.282340 0.472431 O\n0.193481 0.393111 0.813629 O\n0.693481 0.606889 0.686371 O\n0.806519 0.606889 0.186371 O\n0.306519 0.393111 0.313629 O\n0.147197 0.725098 0.922269 O\n0.647197 0.274902 0.577731 O\n0.852803 0.274902 0.077731 O\n0.352803 0.725098 0.422269 O\n0.039381 0.565538 0.785694 O\n0.539381 0.434462 0.714306 O\n0.960619 0.434462 0.214306 O\n0.460619 0.565538 0.285694 O\n0.091071 0.345344 0.433759 O\n0.591071 0.654656 0.066241 O\n0.908929 0.654656 0.566241 O\n0.408929 0.345344 0.933759 O\n0.056673 0.090357 0.631722 O\n0.556673 0.909643 0.868278 O\n0.943327 0.909643 0.368278 O\n0.443327 0.090357 0.131722 O\n0.161546 0.908918 0.499770 O\n0.661546 0.091082 0.000230 O\n0.838454 0.091082 0.500230 O\n0.338454 0.908918 0.999770 O\n0.206614 0.267949 0.596037 O\n0.706614 0.732051 0.903963 O\n0.793386 0.732051 0.403963 O\n0.293386 0.267949 0.096037 O\n",
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"updated_at": "2021-11-28T01:36:32.822000Z",
"spacegroup": 14
},
{
"id": "mp-1278864",
"created_at": "2022-09-04T14:44:16.076616Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n-1.526429 2.440550 2.878599\n-0.688057 -7.254234 2.906938\n5.293209 -0.098921 0.012025\nLi V Cr O\n4 2 2 8\ndirect\n0.627974 0.873519 0.382512 Li\n0.129121 0.369354 0.888844 Li\n0.245354 0.755582 0.735028 Li\n0.753708 0.245011 0.262320 Li\n0.501144 0.498902 0.503231 V\n0.999354 0.999765 0.999102 V\n0.372574 0.126092 0.619504 Cr\n0.875438 0.626590 0.124467 Cr\n0.253361 0.235775 0.270705 O\n0.765933 0.744968 0.786587 O\n0.488841 0.013161 0.964458 O\n0.988278 0.509451 0.466944 O\n0.118248 0.881098 0.355576 O\n0.614557 0.386758 0.842265 O\n0.881394 0.119655 0.643225 O\n0.384721 0.614320 0.155231 O\n",
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"elements": [
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],
"chemical_system": "Cr-Li-O-V",
"density": 4.057593526451568,
"density_atomic": 0.10811095126614274,
"volume": 147.99610781901188,
"volume_molar": 5.570333707613914,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
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"updated_at": "2021-11-28T01:36:28.941000Z",
"spacegroup": 8
},
{
"id": "mp-803",
"created_at": "2022-09-04T14:44:16.162978Z",
"structure_string": "Dy2 Al4\n1.0\n0.000000 3.933013 3.933013\n3.933013 0.000000 3.933013\n3.933013 3.933013 0.000000\nDy Al\n2 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Dy\n0.625000 0.625000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n",
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"elements": [
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],
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"formula_full": "Dy2 Al4",
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"updated_at": "2021-11-28T01:36:29.421000Z",
"spacegroup": 227
}
]
}