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{
"id": "mp-862909",
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{
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"structure_string": "Li6 V6 P16 O58\n1.0\n-9.745661 0.000000 0.000000\n4.822071 8.472462 0.000000\n-0.051707 -0.209787 -14.326800\nLi V P O\n6 6 16 58\ndirect\n0.778436 0.078824 0.446121 Li\n0.769439 0.672815 0.939255 Li\n0.090732 0.315548 0.559778 Li\n0.919310 0.697819 0.442404 Li\n0.682753 0.914000 0.052929 Li\n0.078340 0.061123 0.003114 Li\n0.992916 0.432228 0.759422 V\n0.003359 0.566870 0.241280 V\n0.430357 0.432281 0.252293 V\n0.561909 0.562708 0.745823 V\n0.431881 0.001757 0.750595 V\n0.557545 0.998515 0.249783 V\n0.301977 0.083003 0.160963 P\n0.311386 0.223074 0.658751 P\n0.772455 0.088712 0.661201 P\n0.662695 0.334238 0.870210 P\n0.672329 0.338545 0.364968 P\n0.912301 0.215790 0.159157 P\n0.086094 0.319093 0.340488 P\n0.766553 0.682892 0.157765 P\n0.227777 0.310519 0.840598 P\n0.909945 0.677068 0.657432 P\n0.085007 0.782803 0.836896 P\n0.325715 0.662712 0.633394 P\n0.338381 0.665746 0.132629 P\n0.222847 0.912710 0.342602 P\n0.684727 0.774088 0.339214 P\n0.684869 0.911038 0.839726 P\n0.231173 0.994420 0.431008 O\n0.342407 0.082483 0.665012 O\n0.209664 0.219530 0.925240 O\n0.343144 0.257914 0.172753 O\n0.460176 0.078956 0.173217 O\n0.516208 0.187799 0.825005 O\n0.619405 0.096052 0.680626 O\n0.766560 0.984948 0.929506 O\n0.736316 0.080558 0.163836 O\n0.525882 0.342403 0.322781 O\n0.474117 0.376966 0.677134 O\n0.665251 0.183652 0.321864 O\n0.672132 0.338222 0.973632 O\n0.680631 0.340240 0.468250 O\n0.812059 0.328300 0.826019 O\n0.613068 0.525939 0.173848 O\n0.672849 0.487733 0.830066 O\n0.919704 0.257180 0.667473 O\n0.986810 0.199402 0.256912 O\n0.003754 0.249752 0.430443 O\n0.993184 0.192480 0.078232 O\n0.919194 0.379832 0.168665 O\n0.820702 0.481761 0.319927 O\n0.093340 0.352847 0.829918 O\n0.901897 0.519088 0.682460 O\n0.740678 0.653035 0.670936 O\n0.205559 0.202713 0.749752 O\n0.228578 0.232087 0.574822 O\n0.776528 0.771355 0.420487 O\n0.254538 0.342059 0.334046 O\n0.095324 0.478523 0.318077 O\n0.910582 0.655612 0.165750 O\n0.175839 0.517517 0.672585 O\n0.081551 0.620495 0.830623 O\n0.993439 0.796883 0.916262 O\n0.979646 0.739248 0.565389 O\n0.012723 0.799606 0.738975 O\n0.080038 0.740791 0.333331 O\n0.331369 0.517870 0.178580 O\n0.387464 0.463876 0.829178 O\n0.189498 0.671158 0.174137 O\n0.348737 0.671994 0.029521 O\n0.335647 0.662723 0.530180 O\n0.337916 0.816062 0.678931 O\n0.524671 0.620403 0.323916 O\n0.470867 0.654351 0.680906 O\n0.258314 0.917632 0.834138 O\n0.200902 0.997522 0.252129 O\n0.210258 0.008489 0.075306 O\n0.377880 0.904699 0.319223 O\n0.490894 0.814372 0.175662 O\n0.528497 0.913168 0.825425 O\n0.655557 0.738647 0.834239 O\n0.766840 0.761564 0.068403 O\n0.785196 0.798413 0.243553 O\n0.659022 0.919743 0.339562 O\n0.768906 0.012115 0.570189 O\n0.791941 0.996707 0.749278 O\n",
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"formula_full": "Li6 V6 P16 O58",
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"spacegroup": 1
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{
"id": "mp-755417",
"created_at": "2022-09-04T14:44:19.722010Z",
"structure_string": "Ba6 B4 O12\n1.0\n5.403581 -4.798962 0.000000\n5.403581 4.798962 0.000000\n1.141586 0.000000 7.136211\nBa B O\n6 4 12\ndirect\n0.750000 0.098487 0.401513 Ba\n0.598487 0.250000 0.901513 Ba\n0.901513 0.598487 0.250000 Ba\n0.098487 0.401513 0.750000 Ba\n0.401513 0.750000 0.098487 Ba\n0.250000 0.901513 0.598487 Ba\n0.884596 0.884596 0.884596 B\n0.615404 0.615404 0.615404 B\n0.115404 0.115404 0.115404 B\n0.384596 0.384596 0.384596 B\n0.891436 0.027909 0.735880 O\n0.972091 0.264120 0.108564 O\n0.764120 0.472091 0.608564 O\n0.391436 0.235880 0.527909 O\n0.264120 0.108564 0.972091 O\n0.527909 0.391436 0.235880 O\n0.472091 0.608564 0.764120 O\n0.608564 0.764120 0.472091 O\n0.735880 0.891436 0.027909 O\n0.235880 0.527909 0.391436 O\n0.027909 0.735880 0.891436 O\n0.108564 0.972091 0.264120 O\n",
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{
"id": "mp-1180065",
"created_at": "2022-09-04T14:44:19.766467Z",
"structure_string": "Nd2 O6\n1.0\n3.417162 -5.918699 0.000000\n3.417162 5.918699 0.000000\n0.000000 0.000000 3.580795\nNd O\n2 6\ndirect\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n0.941559 0.567890 0.250000 O\n0.626331 0.058441 0.250000 O\n0.432110 0.373669 0.250000 O\n0.058441 0.432110 0.750000 O\n0.373669 0.941559 0.750000 O\n0.567890 0.626331 0.750000 O\n",
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{
"id": "mp-863392",
"created_at": "2022-09-04T14:44:19.769079Z",
"structure_string": "Li4 Fe4 Si24 O56\n1.0\n-3.702819 7.570812 9.608052\n3.702819 -7.570812 9.608052\n3.702819 7.570812 -9.608052\nLi Fe Si O\n4 4 24 56\ndirect\n0.250000 0.250000 0.000000 Li\n0.750000 0.750000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.456221 0.250000 0.206221 Fe\n0.956221 0.750000 0.206221 Fe\n0.043779 0.250000 0.793779 Fe\n0.543779 0.750000 0.793779 Fe\n0.371498 0.684579 0.056077 Si\n0.128502 0.184579 0.313081 Si\n0.835149 0.237482 0.072632 Si\n0.229505 0.412610 0.337746 Si\n0.270495 0.608241 0.183105 Si\n0.574864 0.912610 0.183105 Si\n0.925136 0.108241 0.337746 Si\n0.335149 0.262518 0.597667 Si\n0.721217 0.189006 0.218975 Si\n0.029969 0.497758 0.218975 Si\n0.470031 0.689006 0.467789 Si\n0.778783 0.997758 0.467789 Si\n0.970031 0.502242 0.781025 Si\n0.529969 0.310994 0.532211 Si\n0.221217 0.002242 0.532211 Si\n0.278783 0.810994 0.781025 Si\n0.664851 0.737482 0.402333 Si\n0.770495 0.587390 0.662254 Si\n0.074864 0.891759 0.662254 Si\n0.729505 0.391759 0.816895 Si\n0.425136 0.087390 0.816895 Si\n0.164851 0.762518 0.927368 Si\n0.871498 0.815421 0.686919 Si\n0.628502 0.315421 0.943923 Si\n0.493467 0.828050 0.189497 O\n0.361447 0.696030 0.189497 O\n0.272002 0.766279 0.038281 O\n0.801364 0.606474 0.038894 O\n0.432420 0.237530 0.038894 O\n0.128217 0.967298 0.095515 O\n0.932420 0.893526 0.194889 O\n0.301364 0.262470 0.194889 O\n0.442375 0.225260 0.532330 O\n0.307071 0.089956 0.532330 O\n0.489198 0.449726 0.551635 O\n0.101909 0.062436 0.551635 O\n0.006533 0.196030 0.334583 O\n0.138553 0.328050 0.334583 O\n0.227998 0.266279 0.494276 O\n0.601909 0.050274 0.039473 O\n0.989198 0.437564 0.039473 O\n0.796524 0.096682 0.248414 O\n0.703476 0.951890 0.300158 O\n0.151732 0.451890 0.248414 O\n0.348268 0.596682 0.300158 O\n0.807071 0.274740 0.217115 O\n0.942375 0.410044 0.217115 O\n0.192790 0.766272 0.308549 O\n0.542276 0.115759 0.308549 O\n0.307210 0.615759 0.573483 O\n0.957724 0.266272 0.573483 O\n0.371783 0.467298 0.839080 O\n0.628217 0.532702 0.160920 O\n0.042276 0.733728 0.426517 O\n0.457724 0.884241 0.691451 O\n0.692790 0.384241 0.426517 O\n0.807210 0.233728 0.691451 O\n0.057625 0.589956 0.782885 O\n0.192929 0.725260 0.782885 O\n0.848268 0.548110 0.751586 O\n0.651732 0.403318 0.699842 O\n0.296524 0.048110 0.699842 O\n0.203476 0.903318 0.751586 O\n0.010802 0.562436 0.960527 O\n0.398091 0.949726 0.960527 O\n0.772002 0.733721 0.505724 O\n0.861447 0.671950 0.665417 O\n0.993467 0.803970 0.665417 O\n0.510802 0.550274 0.448366 O\n0.898091 0.937564 0.448366 O\n0.692929 0.910044 0.467670 O\n0.557625 0.774740 0.467670 O\n0.698636 0.737530 0.805111 O\n0.067580 0.106474 0.805111 O\n0.871783 0.032702 0.904485 O\n0.567580 0.762470 0.961106 O\n0.198636 0.393526 0.961106 O\n0.727998 0.233721 0.961719 O\n0.506533 0.171950 0.810503 O\n0.638553 0.303970 0.810503 O\n",
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"volume_molar": 7.372902856268155,
"formula_full": "Li4 Fe4 Si24 O56",
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"spacegroup": 72
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{
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"structure_string": "Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
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{
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{
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{
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{
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]
}