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{
"id": "mp-20797",
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"structure_string": "Yb2 Nd4 S8\n1.0\n2.123648 -7.546703 0.000000\n2.123648 7.546703 0.000000\n0.000000 0.000000 12.419453\nYb Nd S\n2 4 8\ndirect\n0.927329 0.072671 0.750000 Yb\n0.072671 0.927329 0.250000 Yb\n0.407834 0.074218 0.897453 Nd\n0.925782 0.592166 0.602547 Nd\n0.592166 0.925782 0.397453 Nd\n0.074218 0.407834 0.102547 Nd\n0.318985 0.206596 0.631485 S\n0.950512 0.550044 0.382499 S\n0.550044 0.950512 0.617501 S\n0.049488 0.449956 0.882499 S\n0.793404 0.681015 0.868515 S\n0.681015 0.793404 0.131485 S\n0.206596 0.318985 0.368515 S\n0.449956 0.049488 0.117501 S\n",
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{
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{
"id": "mp-1225166",
"created_at": "2022-09-04T14:41:21.861942Z",
"structure_string": "Fe4 Te3 S1\n1.0\n3.681551 0.000000 0.000000\n0.000000 3.681551 0.000000\n0.000000 0.000000 12.828124\nFe Te S\n4 3 1\ndirect\n0.500000 0.000000 0.003004 Fe\n0.500000 0.000000 0.486373 Fe\n0.000000 0.500000 0.003004 Fe\n0.000000 0.500000 0.486373 Fe\n0.500000 0.500000 0.861614 Te\n0.000000 0.000000 0.144134 Te\n0.000000 0.000000 0.615392 Te\n0.500000 0.500000 0.400106 S\n",
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{
"id": "mp-556168",
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"structure_string": "Na14 Al6 O16\n1.0\n5.918556 -0.006814 0.026667\n2.600089 7.058832 2.827501\n-0.006370 -0.009909 11.409398\nNa Al O\n14 6 16\ndirect\n0.151431 0.099652 0.667244 Na\n0.276617 0.483045 0.447617 Na\n0.553116 0.692738 0.237977 Na\n0.371559 0.912399 0.444116 Na\n0.628441 0.087601 0.555884 Na\n0.528666 0.707636 0.729470 Na\n0.723383 0.516955 0.552383 Na\n0.848569 0.900348 0.332756 Na\n0.744821 0.490628 0.056352 Na\n0.340715 0.902117 0.948483 Na\n0.255179 0.509372 0.943648 Na\n0.471334 0.292364 0.270530 Na\n0.446884 0.307262 0.762023 Na\n0.659285 0.097883 0.051517 Na\n0.165346 0.093942 0.159303 Al\n0.834654 0.906058 0.840697 Al\n0.041229 0.675772 0.645521 Al\n0.958771 0.324228 0.354479 Al\n0.930734 0.299939 0.864125 Al\n0.069266 0.700061 0.135875 Al\n0.846342 0.767431 0.004878 O\n0.360671 0.595086 0.104126 O\n0.978863 0.557217 0.271874 O\n0.049732 0.784300 0.760093 O\n0.319937 0.632802 0.582456 O\n0.931648 0.096750 0.834300 O\n0.778853 0.799907 0.535686 O\n0.950268 0.215700 0.239907 O\n0.639329 0.404914 0.895874 O\n0.021137 0.442783 0.728126 O\n0.068352 0.903250 0.165700 O\n0.221147 0.200093 0.464314 O\n0.535754 0.990191 0.769276 O\n0.153658 0.232569 0.995122 O\n0.464246 0.009809 0.230724 O\n0.680063 0.367198 0.417544 O\n",
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{
"id": "mp-1211183",
"created_at": "2022-09-04T14:41:21.963996Z",
"structure_string": "Li4 Tm24 B12 O56\n1.0\n6.075400 0.000000 -5.651613\n-6.164207 0.000000 -6.230082\n0.000000 15.389035 0.000000\nLi Tm B O\n4 24 12 56\ndirect\n0.681322 0.561470 0.395743 Li\n0.318678 0.438530 0.604257 Li\n0.818678 0.938530 0.895743 Li\n0.181322 0.061470 0.104257 Li\n0.143018 0.692565 0.178058 Tm\n0.856982 0.307435 0.821942 Tm\n0.356982 0.807435 0.678058 Tm\n0.643018 0.192565 0.321942 Tm\n0.960568 0.943309 0.673360 Tm\n0.039432 0.056691 0.326640 Tm\n0.539432 0.556691 0.173360 Tm\n0.460568 0.443309 0.826640 Tm\n0.725650 0.574903 0.644196 Tm\n0.274350 0.425097 0.355804 Tm\n0.774350 0.925097 0.144196 Tm\n0.225650 0.074903 0.855804 Tm\n0.051165 0.717566 0.486842 Tm\n0.948835 0.282434 0.513158 Tm\n0.448835 0.782434 0.986842 Tm\n0.551165 0.217566 0.013158 Tm\n0.699077 0.939332 0.496465 Tm\n0.300923 0.060668 0.503535 Tm\n0.800923 0.560668 0.996465 Tm\n0.199077 0.439332 0.003535 Tm\n0.421349 0.835872 0.333651 Tm\n0.578651 0.164128 0.666349 Tm\n0.078651 0.664128 0.833651 Tm\n0.921349 0.335872 0.166349 Tm\n0.429215 0.972366 0.172680 B\n0.570785 0.027634 0.827320 B\n0.070785 0.527634 0.672680 B\n0.929215 0.472366 0.327320 B\n0.064504 0.853843 0.000301 B\n0.935496 0.146157 0.999699 B\n0.435496 0.646157 0.500301 B\n0.564504 0.353843 0.499699 B\n0.820521 0.778174 0.307387 B\n0.179479 0.221826 0.692613 B\n0.679479 0.721826 0.807387 B\n0.320521 0.278174 0.192613 B\n0.941356 0.823189 0.248568 O\n0.058644 0.176811 0.751432 O\n0.558644 0.676811 0.748568 O\n0.441356 0.323189 0.251432 O\n0.711637 0.408221 0.533790 O\n0.288363 0.591779 0.466210 O\n0.788363 0.091779 0.033790 O\n0.211637 0.908221 0.966210 O\n0.842911 0.778283 0.579610 O\n0.157089 0.221717 0.420390 O\n0.657089 0.721717 0.079610 O\n0.342911 0.278283 0.920390 O\n0.027484 0.880802 0.086303 O\n0.972516 0.119198 0.913697 O\n0.472516 0.619198 0.586303 O\n0.527484 0.380802 0.413697 O\n0.466144 0.991459 0.086457 O\n0.533856 0.008541 0.913543 O\n0.033856 0.508541 0.586457 O\n0.966144 0.491459 0.413543 O\n0.281962 0.920808 0.205266 O\n0.718038 0.079192 0.794734 O\n0.218038 0.579192 0.705266 O\n0.781962 0.420808 0.294734 O\n0.457494 0.274732 0.552325 O\n0.542506 0.725268 0.447675 O\n0.042506 0.225268 0.052325 O\n0.957494 0.774732 0.947675 O\n0.192716 0.894910 0.401772 O\n0.807284 0.105090 0.598228 O\n0.307284 0.605090 0.901772 O\n0.692716 0.394910 0.098228 O\n0.009125 0.536946 0.089557 O\n0.990875 0.463054 0.910443 O\n0.490875 0.963054 0.589557 O\n0.509125 0.036946 0.410443 O\n0.162128 0.875434 0.585152 O\n0.837872 0.124566 0.414848 O\n0.337872 0.624566 0.085152 O\n0.662128 0.375434 0.914848 O\n0.153227 0.877283 0.768236 O\n0.846773 0.122717 0.231764 O\n0.346773 0.622717 0.268236 O\n0.653227 0.377283 0.731764 O\n0.826615 0.774012 0.774779 O\n0.173385 0.225988 0.225221 O\n0.673385 0.725988 0.274779 O\n0.326615 0.274012 0.725221 O\n0.851670 0.799797 0.394889 O\n0.148330 0.200203 0.605111 O\n0.648330 0.700203 0.894889 O\n0.351670 0.299797 0.105111 O\n0.551153 0.997464 0.233134 O\n0.448847 0.002536 0.766866 O\n0.948847 0.502536 0.733134 O\n0.051153 0.497464 0.266866 O\n",
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{
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{
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"structure_string": "Tm2 Sb2 Pb4 O12\n1.0\n2.925093 5.101656 0.000000\n-2.925093 5.101656 0.000000\n0.000000 3.241204 9.692193\nTm Sb Pb O\n2 2 4 12\ndirect\n0.757052 0.242948 0.250000 Tm\n0.242948 0.757052 0.750000 Tm\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.108535 0.629832 0.125407 Pb\n0.370168 0.891465 0.374593 Pb\n0.891465 0.370168 0.874593 Pb\n0.629832 0.108535 0.625407 Pb\n0.636799 0.673294 0.618426 O\n0.326706 0.363201 0.881574 O\n0.363201 0.326706 0.381574 O\n0.673294 0.636799 0.118426 O\n0.816095 0.881891 0.848510 O\n0.118109 0.183905 0.651490 O\n0.183905 0.118109 0.151490 O\n0.881891 0.816095 0.348510 O\n0.690314 0.117437 0.083044 O\n0.882563 0.309686 0.416956 O\n0.309686 0.882563 0.916956 O\n0.117437 0.690314 0.583044 O\n",
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sb-Tm",
"density": 9.19724668867021,
"density_atomic": 0.06913963725371405,
"volume": 289.2696692435371,
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"updated_at": "2021-11-28T01:35:21.736000Z",
"spacegroup": 15
},
{
"id": "mp-1100028",
"created_at": "2022-09-04T14:41:22.372575Z",
"structure_string": "La20 Sm12 Cr32 O80\n1.0\n0.051884 -0.017534 11.083660\n11.484338 0.007983 0.053052\n-5.757427 15.848170 -5.593469\nLa Sm Cr O\n20 12 32 80\ndirect\n0.310168 0.063085 0.617150 La\n0.310708 0.564277 0.617545 La\n0.808920 0.063603 0.618002 La\n0.810630 0.562171 0.617764 La\n0.192340 0.435489 0.382319 La\n0.186824 0.437299 0.881176 La\n0.192215 0.938209 0.381761 La\n0.691593 0.435310 0.380683 La\n0.694568 0.936681 0.381022 La\n0.058404 0.307144 0.119805 La\n0.061218 0.303073 0.617806 La\n0.059422 0.807416 0.619058 La\n0.559635 0.306010 0.620610 La\n0.441893 0.195310 0.380252 La\n0.441927 0.195425 0.882300 La\n0.443321 0.693758 0.381362 La\n0.440298 0.692906 0.881144 La\n0.941478 0.195590 0.380559 La\n0.939384 0.194276 0.881751 La\n0.943516 0.695325 0.382699 La\n0.303811 0.063348 0.114776 Sm\n0.306074 0.561319 0.112669 Sm\n0.802210 0.062321 0.114903 Sm\n0.803618 0.561926 0.114985 Sm\n0.189022 0.939244 0.885593 Sm\n0.692962 0.437473 0.885691 Sm\n0.687822 0.938327 0.883049 Sm\n0.056226 0.802679 0.114070 Sm\n0.555921 0.302863 0.116572 Sm\n0.553945 0.803164 0.114299 Sm\n0.556376 0.801694 0.614764 Sm\n0.940808 0.697765 0.885934 Sm\n0.003977 0.998683 0.999753 Cr\n0.003819 0.999605 0.499075 Cr\n0.005535 0.502915 0.001934 Cr\n0.004328 0.500484 0.500226 Cr\n0.505933 0.998449 0.000162 Cr\n0.505059 0.999332 0.499557 Cr\n0.508693 0.501516 0.002920 Cr\n0.505507 0.500538 0.500543 Cr\n0.256836 0.249561 0.000906 Cr\n0.254716 0.249408 0.498880 Cr\n0.255794 0.752382 0.001389 Cr\n0.255879 0.749901 0.499891 Cr\n0.755149 0.249906 0.001054 Cr\n0.753926 0.249834 0.499801 Cr\n0.757149 0.751038 0.001131 Cr\n0.753558 0.750164 0.500989 Cr\n0.118343 0.118210 0.247190 Cr\n0.121476 0.121125 0.751413 Cr\n0.120038 0.624770 0.248571 Cr\n0.117401 0.626151 0.752043 Cr\n0.618704 0.119749 0.247471 Cr\n0.620784 0.118261 0.750966 Cr\n0.619346 0.621871 0.248260 Cr\n0.626284 0.627124 0.752137 Cr\n0.371832 0.379770 0.248482 Cr\n0.374068 0.379236 0.751715 Cr\n0.370023 0.877505 0.247866 Cr\n0.372212 0.877197 0.751206 Cr\n0.868335 0.378500 0.247835 Cr\n0.869699 0.380199 0.751823 Cr\n0.870702 0.875734 0.246449 Cr\n0.868793 0.875436 0.751393 Cr\n0.118887 0.118070 0.478004 O\n0.114416 0.108386 0.975299 O\n0.119191 0.617116 0.480305 O\n0.114195 0.622990 0.977340 O\n0.617220 0.113957 0.476936 O\n0.616364 0.110804 0.975926 O\n0.616848 0.615692 0.479604 O\n0.621767 0.615886 0.977138 O\n0.142770 0.390436 0.027989 O\n0.139088 0.384633 0.521874 O\n0.141201 0.884972 0.027774 O\n0.139826 0.881759 0.521974 O\n0.642056 0.386324 0.031050 O\n0.639855 0.385743 0.524604 O\n0.642473 0.883503 0.029939 O\n0.637004 0.882077 0.525145 O\n0.367038 0.110184 0.476045 O\n0.363089 0.101209 0.972549 O\n0.368013 0.611653 0.476387 O\n0.367136 0.612366 0.978610 O\n0.865468 0.113548 0.476186 O\n0.860876 0.103014 0.972338 O\n0.866201 0.612485 0.477387 O\n0.865055 0.611586 0.972414 O\n0.395826 0.396503 0.028652 O\n0.389881 0.390230 0.520998 O\n0.390317 0.892364 0.027931 O\n0.391508 0.886219 0.521439 O\n0.887350 0.397888 0.025816 O\n0.887556 0.387109 0.520430 O\n0.891171 0.891258 0.028381 O\n0.884374 0.884162 0.520166 O\n0.086104 0.105151 0.124156 O\n0.074761 0.100323 0.625984 O\n0.084944 0.608978 0.126020 O\n0.072361 0.603376 0.626303 O\n0.585603 0.107333 0.124147 O\n0.575567 0.102609 0.624868 O\n0.587090 0.610356 0.126365 O\n0.573853 0.605646 0.626239 O\n0.451394 0.399238 0.375051 O\n0.463628 0.398965 0.877221 O\n0.446060 0.897655 0.372847 O\n0.464122 0.893155 0.875776 O\n0.947791 0.400163 0.374137 O\n0.952350 0.397011 0.876951 O\n0.943449 0.897914 0.371504 O\n0.955353 0.892250 0.874632 O\n0.338721 0.265974 0.125787 O\n0.326557 0.273621 0.625407 O\n0.333424 0.768724 0.125606 O\n0.336121 0.774437 0.625350 O\n0.830380 0.265218 0.124985 O\n0.825677 0.274350 0.625842 O\n0.837008 0.765978 0.124540 O\n0.823224 0.774537 0.626919 O\n0.198039 0.224627 0.372992 O\n0.201473 0.231214 0.875261 O\n0.194573 0.726236 0.373746 O\n0.202528 0.734289 0.876866 O\n0.695582 0.226171 0.373884 O\n0.701023 0.233293 0.875799 O\n0.693102 0.724737 0.373989 O\n0.708931 0.735703 0.876650 O\n0.414260 0.059554 0.244917 O\n0.421914 0.063142 0.750291 O\n0.415174 0.569152 0.244215 O\n0.431437 0.566034 0.749919 O\n0.913367 0.060525 0.245002 O\n0.920755 0.054934 0.750205 O\n0.916534 0.567974 0.245606 O\n0.918976 0.572471 0.755433 O\n0.172837 0.443553 0.250934 O\n0.173872 0.443272 0.750471 O\n0.166009 0.926914 0.245130 O\n0.169048 0.933826 0.755153 O\n0.666186 0.434725 0.245656 O\n0.672622 0.434599 0.755520 O\n0.667000 0.925824 0.244571 O\n0.666045 0.921104 0.749414 O\n",
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"Cr",
"O"
],
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"density": 6.197284157854546,
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"volume": 2016.632252325619,
"volume_molar": 8.433641169903273,
"formula_full": "La20 Sm12 Cr32 O80",
"formula_reduced": "La5Sm3Cr8O20",
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"updated_at": "2021-11-28T01:35:18.818000Z",
"spacegroup": 1
},
{
"id": "mp-582421",
"created_at": "2022-09-04T14:41:23.527172Z",
"structure_string": "K2 U2 Cu2 Se6\n1.0\n2.052461 -7.381259 0.000000\n2.052461 7.381259 0.000000\n0.000000 0.000000 10.699963\nK U Cu Se\n2 2 2 6\ndirect\n0.253488 0.746512 0.750000 K\n0.746512 0.253488 0.250000 K\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.467370 0.532630 0.250000 Cu\n0.532630 0.467370 0.750000 Cu\n0.065067 0.934933 0.250000 Se\n0.626260 0.373740 0.938286 Se\n0.373740 0.626260 0.061714 Se\n0.626260 0.373740 0.561714 Se\n0.373740 0.626260 0.438286 Se\n0.934933 0.065067 0.750000 Se\n",
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],
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"volume": 324.20344820651775,
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"formula_full": "K2 U2 Cu2 Se6",
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}
]
}