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{
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{
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{
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},
{
"id": "mp-1105062",
"created_at": "2022-09-04T14:39:10.336909Z",
"structure_string": "Er2 Ni8 P4\n1.0\n7.056843 0.000000 0.000000\n0.000000 7.056843 0.000000\n0.000000 0.000000 3.600953\nEr Ni P\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.586172 0.162960 0.500000 Ni\n0.413828 0.837040 0.500000 Ni\n0.086172 0.337040 0.000000 Ni\n0.913828 0.662960 0.000000 Ni\n0.162960 0.586172 0.500000 Ni\n0.837040 0.413828 0.500000 Ni\n0.337040 0.086172 0.000000 Ni\n0.662960 0.913828 0.000000 Ni\n0.719224 0.719224 0.500000 P\n0.280776 0.280776 0.500000 P\n0.219224 0.780776 0.000000 P\n0.780776 0.219224 0.000000 P\n",
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"volume": 179.3239777345061,
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"formula_full": "Er2 Ni8 P4",
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"spacegroup": 136
},
{
"id": "mp-510294",
"created_at": "2022-09-04T14:39:10.337758Z",
"structure_string": "Sr2 Cu1 W1 O6\n1.0\n-2.727943 2.727943 4.362519\n2.727943 -2.727943 4.362519\n2.727943 2.727943 -4.362519\nSr Cu W O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 W\n0.300544 0.193435 0.493978 O\n0.699456 0.806565 0.506022 O\n0.193435 0.699456 0.892891 O\n0.806565 0.300544 0.107109 O\n0.224842 0.224842 0.000000 O\n0.775158 0.775158 0.000000 O\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.07700733502385732,
"volume": 129.85775961344387,
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"formula_full": "Sr2 Cu1 W1 O6",
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{
"id": "mp-1215207",
"created_at": "2022-09-04T14:39:08.389462Z",
"structure_string": "Zr1 Sc1 Fe4\n1.0\n0.000000 3.511246 3.511246\n3.511246 0.000000 3.511246\n3.511246 3.511246 0.000000\nZr Sc Fe\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sc\n0.624610 0.624610 0.126171 Fe\n0.624610 0.126171 0.624610 Fe\n0.126171 0.624610 0.624610 Fe\n0.624610 0.624610 0.624610 Fe\n",
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},
{
"id": "mp-1026648",
"created_at": "2022-09-04T14:39:10.306949Z",
"structure_string": "Mg14 Sn1 Bi1\n1.0\n6.413099 -0.172375 0.000000\n-3.355830 5.812468 0.000000\n0.000000 0.000000 10.355617\nMg Sn Bi\n14 1 1\ndirect\n0.168666 0.334333 0.625000 Mg\n0.168725 0.834362 0.625000 Mg\n0.668105 0.333852 0.125000 Mg\n0.667247 0.333605 0.625000 Mg\n0.668105 0.834252 0.125000 Mg\n0.667247 0.833641 0.625000 Mg\n0.333768 0.169176 0.377651 Mg\n0.333768 0.169176 0.872349 Mg\n0.333768 0.664593 0.377651 Mg\n0.333768 0.664593 0.872349 Mg\n0.833080 0.166541 0.375376 Mg\n0.833080 0.166541 0.874624 Mg\n0.830453 0.665227 0.378172 Mg\n0.830453 0.665227 0.871828 Mg\n0.165269 0.332634 0.125000 Sn\n0.164496 0.832248 0.125000 Bi\n",
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"density": 2.918688128496929,
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"formula_full": "Mg14 Sn1 Bi1",
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"spacegroup": 38
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{
"id": "mp-1020162",
"created_at": "2022-09-04T14:39:10.309041Z",
"structure_string": "Na16 Mg12 P16 O60\n1.0\n6.592989 0.000000 0.000000\n0.000000 10.633098 0.000000\n0.000000 0.000000 18.200900\nNa Mg P O\n16 12 16 60\ndirect\n0.570050 0.764421 0.893184 Na\n0.070050 0.235579 0.106816 Na\n0.070050 0.264421 0.606816 Na\n0.570050 0.735579 0.393184 Na\n0.990434 0.248308 0.793778 Na\n0.490434 0.751692 0.206222 Na\n0.490434 0.748308 0.706222 Na\n0.990434 0.251692 0.293778 Na\n0.957921 0.475149 0.992260 Na\n0.457921 0.524851 0.007740 Na\n0.457921 0.975149 0.507740 Na\n0.957921 0.024851 0.492260 Na\n0.813888 0.041156 0.961301 Na\n0.313888 0.958844 0.038699 Na\n0.313888 0.541156 0.538699 Na\n0.813888 0.458844 0.461301 Na\n0.739057 0.994154 0.639727 Mg\n0.239057 0.005846 0.360273 Mg\n0.239057 0.494154 0.860273 Mg\n0.739057 0.505846 0.139727 Mg\n0.471253 0.244447 0.739328 Mg\n0.971253 0.755553 0.260672 Mg\n0.971253 0.744447 0.760672 Mg\n0.471253 0.255553 0.239328 Mg\n0.749846 0.505205 0.666665 Mg\n0.249846 0.494795 0.333335 Mg\n0.249846 0.005205 0.833335 Mg\n0.749846 0.994795 0.166665 Mg\n0.731949 0.487744 0.819910 P\n0.231949 0.512256 0.180090 P\n0.231949 0.987744 0.680090 P\n0.731949 0.012256 0.319910 P\n0.742110 0.003082 0.791940 P\n0.242110 0.996918 0.208060 P\n0.242110 0.503082 0.708060 P\n0.742110 0.496918 0.291940 P\n0.599686 0.263893 0.569199 P\n0.099686 0.736107 0.430801 P\n0.099686 0.763893 0.930801 P\n0.599686 0.236107 0.069199 P\n0.288974 0.270859 0.448536 P\n0.788974 0.729141 0.551464 P\n0.788974 0.770859 0.051464 P\n0.288974 0.229141 0.948536 P\n0.712067 0.137698 0.561314 O\n0.212067 0.862302 0.438686 O\n0.212067 0.637698 0.938686 O\n0.712067 0.362302 0.061314 O\n0.702515 0.114162 0.736596 O\n0.202515 0.885838 0.263404 O\n0.202515 0.614162 0.763404 O\n0.702515 0.385838 0.236596 O\n0.561311 0.976184 0.842489 O\n0.061311 0.023816 0.157511 O\n0.061311 0.476184 0.657511 O\n0.561311 0.523816 0.342489 O\n0.932057 0.035947 0.838110 O\n0.432057 0.964053 0.161890 O\n0.432057 0.535947 0.661890 O\n0.932057 0.464053 0.338110 O\n0.746791 0.372593 0.584070 O\n0.246791 0.627407 0.415930 O\n0.246791 0.872593 0.915930 O\n0.746791 0.127407 0.084070 O\n0.757448 0.604799 0.768078 O\n0.257448 0.395201 0.231922 O\n0.257448 0.104799 0.731922 O\n0.757448 0.895201 0.268078 O\n0.926842 0.456444 0.863496 O\n0.426842 0.543556 0.136504 O\n0.426842 0.956444 0.636504 O\n0.926842 0.043556 0.363496 O\n0.551634 0.512387 0.872093 O\n0.051634 0.487613 0.127907 O\n0.051634 0.012387 0.627907 O\n0.551634 0.987613 0.372093 O\n0.272196 0.387205 0.760827 O\n0.772196 0.612795 0.239173 O\n0.772196 0.887205 0.739173 O\n0.272196 0.112795 0.260827 O\n0.696596 0.377060 0.763572 O\n0.196596 0.622940 0.236428 O\n0.196596 0.877060 0.736428 O\n0.696596 0.122940 0.263572 O\n0.926539 0.758564 0.875728 O\n0.426539 0.241436 0.124272 O\n0.426539 0.258564 0.624272 O\n0.926539 0.741436 0.375728 O\n0.513564 0.298606 0.486935 O\n0.013564 0.701394 0.513065 O\n0.013564 0.798606 0.013065 O\n0.513564 0.201394 0.986935 O\n0.312948 0.312513 0.368645 O\n0.812948 0.687487 0.631355 O\n0.812948 0.812513 0.131355 O\n0.312948 0.187487 0.868645 O\n0.138974 0.351126 0.491503 O\n0.638974 0.648874 0.508497 O\n0.638974 0.851126 0.008497 O\n0.138974 0.148874 0.991503 O\n0.251649 0.128559 0.454303 O\n0.751649 0.871441 0.545697 O\n0.751649 0.628559 0.045697 O\n0.251649 0.371441 0.954303 O\n",
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"formula_full": "Na16 Mg12 P16 O60",
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{
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"structure_string": "Rb8 C8 O16\n1.0\n10.650062 0.000000 0.000000\n0.000000 6.478769 0.000000\n0.000000 1.112817 8.270880\nRb C O\n8 8 16\ndirect\n0.584134 0.769266 0.334065 Rb\n0.705396 0.283587 0.019957 Rb\n0.915866 0.769266 0.834065 Rb\n0.084134 0.230734 0.165935 Rb\n0.205396 0.716413 0.480043 Rb\n0.415866 0.230734 0.665935 Rb\n0.294604 0.716413 0.980043 Rb\n0.794604 0.283587 0.519957 Rb\n0.106570 0.166928 0.658478 C\n0.445392 0.312960 0.272906 C\n0.554608 0.687040 0.727094 C\n0.606570 0.833072 0.841522 C\n0.893430 0.833072 0.341522 C\n0.945392 0.687040 0.227094 C\n0.054608 0.312960 0.772906 C\n0.393430 0.166928 0.158478 C\n0.444303 0.724659 0.670295 O\n0.555697 0.275341 0.329705 O\n0.126213 0.459440 0.804775 O\n0.156478 0.998291 0.725960 O\n0.373787 0.459440 0.304775 O\n0.097671 0.225628 0.507588 O\n0.343522 0.998291 0.225960 O\n0.843522 0.001709 0.274040 O\n0.597671 0.774372 0.992412 O\n0.902329 0.774372 0.492412 O\n0.626213 0.540560 0.695225 O\n0.656478 0.001709 0.774040 O\n0.873787 0.540560 0.195225 O\n0.944303 0.275341 0.829705 O\n0.055697 0.724659 0.170295 O\n0.402329 0.225628 0.007588 O\n",
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{
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"structure_string": "Na8 Ag8 I16 O24\n1.0\n8.020514 0.000000 0.000000\n0.000000 8.854719 0.000000\n0.000000 0.000000 21.321436\nNa Ag I O\n8 8 16 24\ndirect\n0.325464 0.106542 0.386196 Na\n0.674536 0.606542 0.113804 Na\n0.174536 0.893458 0.886196 Na\n0.825464 0.393458 0.613804 Na\n0.674536 0.893458 0.613804 Na\n0.325464 0.393458 0.886196 Na\n0.825464 0.106542 0.113804 Na\n0.174536 0.606542 0.386196 Na\n0.395134 0.921397 0.234498 Ag\n0.604866 0.421397 0.265502 Ag\n0.104866 0.078603 0.734498 Ag\n0.895134 0.578603 0.765502 Ag\n0.604866 0.078603 0.765502 Ag\n0.395134 0.578603 0.734498 Ag\n0.895134 0.921397 0.265502 Ag\n0.104866 0.421397 0.234498 Ag\n0.126727 0.116747 0.211121 I\n0.873273 0.616747 0.288879 I\n0.373273 0.883253 0.711121 I\n0.626727 0.383253 0.788879 I\n0.873273 0.883253 0.788879 I\n0.126727 0.383253 0.711121 I\n0.626727 0.116747 0.288879 I\n0.373273 0.616747 0.211121 I\n0.415631 0.219601 0.012188 I\n0.584369 0.719601 0.487812 I\n0.084369 0.780399 0.512188 I\n0.915631 0.280399 0.987812 I\n0.584369 0.780399 0.987812 I\n0.415631 0.280399 0.512188 I\n0.915631 0.219601 0.487812 I\n0.084369 0.719601 0.012188 I\n0.188550 0.363301 0.438225 O\n0.811450 0.863301 0.061775 O\n0.311450 0.636699 0.938225 O\n0.688550 0.136699 0.561775 O\n0.811450 0.636699 0.561775 O\n0.188550 0.136699 0.938225 O\n0.688550 0.363301 0.061775 O\n0.311450 0.863301 0.438225 O\n0.536654 0.241549 0.438180 O\n0.463346 0.741549 0.061820 O\n0.963346 0.758451 0.938180 O\n0.036654 0.258451 0.561820 O\n0.463346 0.758451 0.561820 O\n0.536654 0.258451 0.938180 O\n0.036654 0.241549 0.061820 O\n0.963346 0.741549 0.438180 O\n0.248591 0.355501 0.378249 O\n0.751409 0.855501 0.121751 O\n0.251409 0.644499 0.878249 O\n0.748591 0.144499 0.621751 O\n0.751409 0.644499 0.621751 O\n0.248591 0.144499 0.878249 O\n0.748591 0.355501 0.121751 O\n0.251409 0.855501 0.378249 O\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:34:31.882000Z",
"spacegroup": 61
},
{
"id": "mp-1027854",
"created_at": "2022-09-04T14:39:07.422474Z",
"structure_string": "Mg14 Zr1 Ga1\n1.0\n6.364392 -0.000000 0.000000\n-3.182196 5.511725 0.000000\n0.000000 0.000000 10.133289\nMg Zr Ga\n14 1 1\ndirect\n0.171709 0.835854 0.125000 Mg\n0.164928 0.832464 0.625000 Mg\n0.664146 0.328291 0.125000 Mg\n0.667536 0.335072 0.625000 Mg\n0.664146 0.835854 0.125000 Mg\n0.667536 0.832464 0.625000 Mg\n0.329071 0.170929 0.375849 Mg\n0.329071 0.170929 0.874151 Mg\n0.329071 0.658142 0.375849 Mg\n0.329071 0.658142 0.874151 Mg\n0.841858 0.170929 0.375849 Mg\n0.841858 0.170929 0.874151 Mg\n0.833333 0.666667 0.369768 Mg\n0.833333 0.666667 0.880232 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ga-Mg-Zr",
"density": 2.3414236422491204,
"density_atomic": 0.0450116664272405,
"volume": 355.46340026898,
"volume_molar": 13.379066446550123,
"formula_full": "Mg14 Zr1 Ga1",
"formula_reduced": "Mg14ZrGa",
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"updated_at": "2021-11-28T01:34:44.564000Z",
"spacegroup": 187
},
{
"id": "mp-1223341",
"created_at": "2022-09-04T14:39:11.706299Z",
"structure_string": "K1 Sn2 F5\n1.0\n-2.677146 -4.636596 0.000190\n-1.670047 4.055222 -0.076687\n-0.165144 0.095564 -8.813299\nK Sn F\n1 2 5\ndirect\n0.989914 0.979729 0.993342 K\n0.343604 0.687203 0.311011 Sn\n0.703022 0.406475 0.606211 Sn\n0.648282 0.296594 0.834057 F\n0.351907 0.703657 0.077460 F\n0.340403 0.184958 0.262992 F\n0.844654 0.185117 0.263000 F\n0.996214 0.992267 0.658327 F\n",
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],
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"formula_full": "K1 Sn2 F5",
"formula_reduced": "KSn2F5",
"formula_anonymous": "AB2C5",
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"updated_at": "2021-11-28T01:34:24.904000Z",
"spacegroup": 8
}
]
}