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{
"id": "mp-556549",
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{
"id": "mp-999127",
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{
"id": "mp-22511",
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"structure_string": "Ce4 Mg2 Ge4\n1.0\n7.437687 0.000000 0.000000\n0.000000 7.437687 0.000000\n0.000000 0.000000 4.358967\nCe Mg Ge\n4 2 4\ndirect\n0.322172 0.822172 0.500000 Ce\n0.822172 0.677828 0.500000 Ce\n0.177828 0.322172 0.500000 Ce\n0.677828 0.177828 0.500000 Ce\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.377770 0.122230 0.000000 Ge\n0.622230 0.877770 0.000000 Ge\n0.122230 0.622230 0.000000 Ge\n0.877770 0.377770 0.000000 Ge\n",
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"formula_full": "Ce4 Mg2 Ge4",
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},
{
"id": "mp-570419",
"created_at": "2022-09-04T14:47:26.931245Z",
"structure_string": "Zr6 Al6 C10\n1.0\n1.681125 -2.911794 0.000000\n1.681125 2.911794 0.000000\n0.000000 0.000000 27.749737\nZr Al C\n6 6 10\ndirect\n0.333333 0.666667 0.904316 Zr\n0.666667 0.333333 0.095684 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.595684 Zr\n0.000000 0.000000 0.500000 Zr\n0.666667 0.333333 0.404316 Zr\n0.000000 0.000000 0.250000 Al\n0.666667 0.333333 0.822609 Al\n0.333333 0.666667 0.177391 Al\n0.333333 0.666667 0.322609 Al\n0.666667 0.333333 0.677391 Al\n0.000000 0.000000 0.750000 Al\n0.666667 0.333333 0.949798 C\n0.666667 0.333333 0.550202 C\n0.000000 0.000000 0.347449 C\n0.000000 0.000000 0.652551 C\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.050202 C\n0.333333 0.666667 0.449798 C\n0.000000 0.000000 0.152551 C\n0.333333 0.666667 0.250000 C\n0.000000 0.000000 0.847449 C\n",
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{
"id": "mp-16861",
"created_at": "2022-09-04T14:47:24.189211Z",
"structure_string": "Na20 Ge4 As12\n1.0\n7.620776 0.000000 0.000000\n0.000000 8.403298 0.000000\n0.000000 8.397676 13.567941\nNa Ge As\n20 4 12\ndirect\n0.494233 0.082103 0.242631 Na\n0.994233 0.917897 0.257369 Na\n0.505767 0.917897 0.757369 Na\n0.005767 0.082103 0.742631 Na\n0.036892 0.415520 0.414111 Na\n0.536892 0.584480 0.085889 Na\n0.963108 0.584480 0.585889 Na\n0.463108 0.415520 0.914111 Na\n0.519949 0.259346 0.413897 Na\n0.019949 0.740654 0.086103 Na\n0.480051 0.740654 0.586103 Na\n0.980051 0.259346 0.913897 Na\n0.662439 0.995304 0.081260 Na\n0.162439 0.004696 0.418740 Na\n0.337561 0.004696 0.918740 Na\n0.837561 0.995304 0.581260 Na\n0.854364 0.314780 0.257576 Na\n0.354364 0.685220 0.242424 Na\n0.145636 0.685220 0.742424 Na\n0.645636 0.314780 0.757576 Na\n0.856780 0.657571 0.912230 Ge\n0.356780 0.342429 0.587770 Ge\n0.143220 0.342429 0.087770 Ge\n0.643220 0.657571 0.412230 Ge\n0.765228 0.927396 0.417705 As\n0.265228 0.072604 0.082295 As\n0.234772 0.072604 0.582295 As\n0.734772 0.927396 0.917705 As\n0.740258 0.638993 0.269631 As\n0.240258 0.361007 0.230369 As\n0.259742 0.361007 0.730369 As\n0.759742 0.638993 0.769631 As\n0.809342 0.340847 0.066961 As\n0.309342 0.659153 0.433039 As\n0.190658 0.659153 0.933039 As\n0.690658 0.340847 0.566961 As\n",
"nsites": 36,
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"volume": 868.8862161873054,
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"formula_full": "Na20 Ge4 As12",
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"updated_at": "2021-11-28T01:38:01.007000Z",
"spacegroup": 14
},
{
"id": "mp-1104135",
"created_at": "2022-09-04T14:47:36.337050Z",
"structure_string": "Ca2 H4 F8\n1.0\n0.000000 5.111587 5.329260\n2.818906 0.000000 5.329260\n2.818906 5.111587 0.000000\nCa H F\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.369029 0.369029 0.130971 H\n0.130971 0.130971 0.369029 H\n0.880971 0.880971 0.119029 H\n0.119029 0.119029 0.880971 H\n0.275694 0.460113 0.362770 F\n0.901423 0.362770 0.460113 F\n0.362770 0.901423 0.275694 F\n0.460113 0.275694 0.901423 F\n0.974306 0.789887 0.887230 F\n0.348577 0.887230 0.789887 F\n0.887230 0.348577 0.974306 F\n0.789887 0.974306 0.348577 F\n",
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"density": 2.553581595555132,
"density_atomic": 0.0911579983271937,
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{
"id": "mp-32895",
"created_at": "2022-09-04T14:47:24.196245Z",
"structure_string": "Si48 O96\n1.0\n0.000000 12.281674 12.281674\n12.281674 0.000000 12.281674\n12.281674 12.281674 0.000000\nSi O\n48 96\ndirect\n0.464524 0.107415 0.643939 Si\n0.464524 0.284122 0.643939 Si\n0.284122 0.464524 0.643939 Si\n0.284122 0.107415 0.643939 Si\n0.107415 0.464524 0.643939 Si\n0.107415 0.284122 0.643939 Si\n0.464524 0.284122 0.107415 Si\n0.464524 0.643939 0.107415 Si\n0.464524 0.107415 0.284122 Si\n0.464524 0.643939 0.284122 Si\n0.284122 0.643939 0.107415 Si\n0.284122 0.464524 0.107415 Si\n0.107415 0.643939 0.284122 Si\n0.107415 0.464524 0.284122 Si\n0.356061 0.892585 0.535476 Si\n0.356061 0.715878 0.535476 Si\n0.284122 0.107415 0.464524 Si\n0.284122 0.643939 0.464524 Si\n0.107415 0.643939 0.464524 Si\n0.107415 0.284122 0.464524 Si\n0.356061 0.535476 0.715878 Si\n0.356061 0.892585 0.715878 Si\n0.643939 0.464524 0.107415 Si\n0.643939 0.284122 0.107415 Si\n0.356061 0.535476 0.892585 Si\n0.356061 0.715878 0.892585 Si\n0.643939 0.107415 0.284122 Si\n0.643939 0.464524 0.284122 Si\n0.892585 0.715878 0.535476 Si\n0.892585 0.356061 0.535476 Si\n0.715878 0.356061 0.535476 Si\n0.715878 0.892585 0.535476 Si\n0.643939 0.284122 0.464524 Si\n0.643939 0.107415 0.464524 Si\n0.892585 0.356061 0.715878 Si\n0.892585 0.535476 0.715878 Si\n0.715878 0.356061 0.892585 Si\n0.715878 0.535476 0.892585 Si\n0.535476 0.356061 0.715878 Si\n0.535476 0.892585 0.715878 Si\n0.535476 0.356061 0.892585 Si\n0.535476 0.715878 0.892585 Si\n0.892585 0.715878 0.356061 Si\n0.892585 0.535476 0.356061 Si\n0.715878 0.892585 0.356061 Si\n0.715878 0.535476 0.356061 Si\n0.535476 0.892585 0.356061 Si\n0.535476 0.715878 0.356061 Si\n0.352436 0.640958 0.865648 O\n0.000000 0.286443 0.500000 O\n0.134352 0.359042 0.647564 O\n0.000000 0.500000 0.713557 O\n0.500000 0.286443 0.713557 O\n0.286443 0.713557 0.500000 O\n0.640958 0.352436 0.865648 O\n0.640958 0.640958 0.865648 O\n0.464566 0.464566 0.883235 O\n0.464566 0.687632 0.883235 O\n0.286443 0.000000 0.713557 O\n0.500000 0.713557 0.000000 O\n0.286443 0.500000 0.000000 O\n0.464566 0.464566 0.687632 O\n0.312368 0.535434 0.535434 O\n0.312368 0.116765 0.535434 O\n0.464566 0.883235 0.687632 O\n0.134352 0.647564 0.359042 O\n0.134352 0.359042 0.359042 O\n0.000000 0.713557 0.286443 O\n0.352436 0.640958 0.640958 O\n0.359042 0.134352 0.647564 O\n0.359042 0.359042 0.647564 O\n0.352436 0.865648 0.640958 O\n0.116765 0.312368 0.535434 O\n0.116765 0.535434 0.535434 O\n0.286443 0.500000 0.713557 O\n0.821472 0.821472 0.536561 O\n0.821472 0.320496 0.536561 O\n0.500000 0.000000 0.286443 O\n0.713557 0.000000 0.500000 O\n0.687632 0.464566 0.883235 O\n0.320496 0.821472 0.536561 O\n0.713557 0.286443 0.000000 O\n0.821472 0.821472 0.320496 O\n0.679504 0.178528 0.178528 O\n0.679504 0.463439 0.178528 O\n0.821472 0.536561 0.320496 O\n0.286443 0.713557 0.000000 O\n0.463439 0.679504 0.178528 O\n0.463439 0.178528 0.178528 O\n0.679504 0.178528 0.463439 O\n0.312368 0.535434 0.116765 O\n0.535434 0.312368 0.535434 O\n0.535434 0.116765 0.535434 O\n0.640958 0.352436 0.640958 O\n0.178528 0.679504 0.178528 O\n0.178528 0.463439 0.178528 O\n0.640958 0.865648 0.640958 O\n0.359042 0.134352 0.359042 O\n0.821472 0.320496 0.821472 O\n0.821472 0.536561 0.821472 O\n0.464566 0.883235 0.464566 O\n0.359042 0.647564 0.359042 O\n0.464566 0.687632 0.464566 O\n0.116765 0.535434 0.312368 O\n0.286443 0.000000 0.500000 O\n0.500000 0.000000 0.713557 O\n0.463439 0.178528 0.679504 O\n0.178528 0.679504 0.463439 O\n0.178528 0.178528 0.463439 O\n0.178528 0.463439 0.679504 O\n0.320496 0.821472 0.821472 O\n0.320496 0.536561 0.821472 O\n0.178528 0.178528 0.679504 O\n0.713557 0.500000 0.286443 O\n0.000000 0.286443 0.713557 O\n0.536561 0.821472 0.320496 O\n0.883235 0.464566 0.687632 O\n0.536561 0.821472 0.821472 O\n0.536561 0.320496 0.821472 O\n0.713557 0.500000 0.000000 O\n0.500000 0.286443 0.000000 O\n0.713557 0.000000 0.286443 O\n0.535434 0.312368 0.116765 O\n0.535434 0.535434 0.116765 O\n0.640958 0.640958 0.352436 O\n0.640958 0.865648 0.352436 O\n0.647564 0.134352 0.359042 O\n0.647564 0.359042 0.359042 O\n0.359042 0.359042 0.134352 O\n0.359042 0.647564 0.134352 O\n0.687632 0.464566 0.464566 O\n0.535434 0.116765 0.312368 O\n0.687632 0.883235 0.464566 O\n0.535434 0.535434 0.312368 O\n0.713557 0.286443 0.500000 O\n0.500000 0.713557 0.286443 O\n0.000000 0.500000 0.286443 O\n0.000000 0.713557 0.500000 O\n0.883235 0.687632 0.464566 O\n0.883235 0.464566 0.464566 O\n0.865648 0.352436 0.640958 O\n0.865648 0.640958 0.640958 O\n0.647564 0.359042 0.134352 O\n0.865648 0.640958 0.352436 O\n",
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{
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{
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{
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"structure_string": "In4 Hg2 S8\n1.0\n0.000000 5.528162 5.528162\n5.528162 0.000000 5.528162\n5.528162 5.528162 0.000000\nIn Hg S\n4 2 8\ndirect\n0.625000 0.625000 0.625000 In\n0.125000 0.625000 0.625000 In\n0.625000 0.625000 0.125000 In\n0.625000 0.125000 0.625000 In\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.385533 0.843402 0.385533 S\n0.864467 0.864467 0.406598 S\n0.864467 0.864467 0.864467 S\n0.406598 0.864467 0.864467 S\n0.385533 0.385533 0.385533 S\n0.843402 0.385533 0.385533 S\n0.864467 0.406598 0.864467 S\n0.385533 0.385533 0.843402 S\n",
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{
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"created_at": "2022-09-04T14:47:26.880609Z",
"structure_string": "Cs4 Na2 Fe2 F12\n1.0\n10.512393 -3.185773 0.000000\n10.512393 3.185773 0.000000\n9.546947 0.000000 5.432804\nCs Na Fe F\n4 2 2 12\ndirect\n0.127502 0.127502 0.127502 Cs\n0.872498 0.872498 0.872498 Cs\n0.282023 0.282023 0.282023 Cs\n0.717977 0.717977 0.717977 Cs\n0.402857 0.402857 0.402857 Na\n0.597143 0.597143 0.597143 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.177333 0.604296 0.604296 F\n0.604296 0.604296 0.177333 F\n0.604296 0.177333 0.604296 F\n0.395704 0.822667 0.395704 F\n0.822667 0.395704 0.395704 F\n0.395704 0.395704 0.822667 F\n0.258703 0.815960 0.815960 F\n0.815960 0.815960 0.258703 F\n0.815960 0.258703 0.815960 F\n0.184040 0.741297 0.184040 F\n0.741297 0.184040 0.184040 F\n0.184040 0.184040 0.741297 F\n",
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{
"id": "mp-1204868",
"created_at": "2022-09-04T14:47:26.903879Z",
"structure_string": "Na2 Ca2 Mn4 P6 H4 O24\n1.0\n6.287384 6.333111 0.000000\n-6.287384 6.333111 0.000000\n0.000000 2.904121 6.139441\nNa Ca Mn P H O\n2 2 4 6 4 24\ndirect\n0.955322 0.044678 0.750000 Na\n0.044678 0.955322 0.250000 Na\n0.287367 0.712633 0.750000 Ca\n0.712633 0.287367 0.250000 Ca\n0.381079 0.054809 0.860715 Mn\n0.945191 0.618921 0.639285 Mn\n0.618921 0.945191 0.139285 Mn\n0.054809 0.381079 0.360715 Mn\n0.689248 0.310752 0.750000 P\n0.310752 0.689248 0.250000 P\n0.682041 0.890973 0.614969 P\n0.109027 0.317959 0.885031 P\n0.317959 0.109027 0.385031 P\n0.890973 0.682041 0.114969 P\n0.373287 0.373193 0.802762 H\n0.626807 0.626713 0.697238 H\n0.626713 0.626807 0.197238 H\n0.373193 0.373287 0.302762 H\n0.283198 0.806633 0.043732 O\n0.193367 0.716802 0.456268 O\n0.716802 0.193367 0.956268 O\n0.806633 0.283198 0.543732 O\n0.518734 0.284917 0.741175 O\n0.715083 0.481266 0.758825 O\n0.481266 0.715083 0.258825 O\n0.284917 0.518734 0.241175 O\n0.327904 0.990890 0.598488 O\n0.009110 0.672096 0.901512 O\n0.672096 0.009110 0.401512 O\n0.990890 0.327904 0.098488 O\n0.268437 0.425536 0.841140 O\n0.574464 0.731563 0.658860 O\n0.731563 0.574464 0.158860 O\n0.425536 0.268437 0.341140 O\n0.611669 0.953515 0.807511 O\n0.046485 0.388331 0.692489 O\n0.388331 0.046485 0.192489 O\n0.953515 0.611669 0.307511 O\n0.151349 0.147958 0.904432 O\n0.852042 0.848651 0.595568 O\n0.848651 0.852042 0.095568 O\n0.147958 0.151349 0.404432 O\n",
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]
}