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{
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{
"id": "mp-1197723",
"created_at": "2022-09-04T14:47:06.235016Z",
"structure_string": "Zr12 Mn12 Si24\n1.0\n7.894073 0.000000 0.000000\n0.000000 9.051904 0.000000\n0.000000 0.000000 9.862206\nZr Mn Si\n12 12 24\ndirect\n0.745887 0.825602 0.048439 Zr\n0.745887 0.174398 0.951561 Zr\n0.254113 0.674398 0.548439 Zr\n0.254113 0.325602 0.451561 Zr\n0.254113 0.174398 0.951561 Zr\n0.254113 0.825602 0.048439 Zr\n0.745887 0.325602 0.451561 Zr\n0.745887 0.674398 0.548439 Zr\n0.500000 0.831190 0.321292 Zr\n0.500000 0.168810 0.678708 Zr\n0.500000 0.668810 0.821292 Zr\n0.500000 0.331190 0.178708 Zr\n0.749917 0.584020 0.251461 Mn\n0.749917 0.415980 0.748539 Mn\n0.250083 0.915980 0.751461 Mn\n0.250083 0.084020 0.248539 Mn\n0.250083 0.415980 0.748539 Mn\n0.250083 0.584020 0.251461 Mn\n0.749917 0.084020 0.248539 Mn\n0.749917 0.915980 0.751461 Mn\n0.747024 0.000000 0.500000 Mn\n0.252976 0.500000 0.000000 Mn\n0.252976 0.000000 0.500000 Mn\n0.747024 0.500000 0.000000 Mn\n0.850260 0.834872 0.319106 Si\n0.850260 0.165128 0.680894 Si\n0.149740 0.665128 0.819106 Si\n0.149740 0.334872 0.180894 Si\n0.149740 0.165128 0.680894 Si\n0.149740 0.834872 0.319106 Si\n0.850260 0.334872 0.180894 Si\n0.850260 0.665128 0.819106 Si\n0.500000 0.538723 0.379622 Si\n0.500000 0.461277 0.620378 Si\n0.500000 0.961277 0.879622 Si\n0.500000 0.038723 0.120378 Si\n0.000000 0.539565 0.374194 Si\n0.000000 0.460435 0.625806 Si\n0.000000 0.960435 0.874194 Si\n0.000000 0.039565 0.125806 Si\n0.500000 0.622064 0.106376 Si\n0.500000 0.377936 0.893624 Si\n0.500000 0.877936 0.606376 Si\n0.500000 0.122064 0.393624 Si\n0.000000 0.608893 0.102813 Si\n0.000000 0.391107 0.897187 Si\n0.000000 0.891107 0.602813 Si\n0.000000 0.108893 0.397187 Si\n",
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"formula_full": "Zr12 Mn12 Si24",
"formula_reduced": "ZrMnSi2",
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"spacegroup": 55
},
{
"id": "mp-1201858",
"created_at": "2022-09-04T14:47:03.770731Z",
"structure_string": "Cs8 Bi4 P4 W4 O32\n1.0\n-3.623381 6.431006 10.929058\n3.623381 -6.431006 10.929058\n3.623381 6.431006 -10.929058\nCs Bi P W O\n8 4 4 4 32\ndirect\n0.243053 0.689417 0.615468 Cs\n0.573949 0.627585 0.884532 Cs\n0.926051 0.810583 0.053636 Cs\n0.256947 0.872415 0.446364 Cs\n0.756947 0.310583 0.384532 Cs\n0.426051 0.372415 0.115468 Cs\n0.073949 0.189417 0.946364 Cs\n0.743053 0.127585 0.553636 Cs\n0.838834 0.750000 0.588834 Bi\n0.661166 0.250000 0.911166 Bi\n0.161166 0.250000 0.411166 Bi\n0.338834 0.750000 0.088834 Bi\n0.073356 0.750000 0.823356 P\n0.426644 0.250000 0.676644 P\n0.926644 0.250000 0.176644 P\n0.573356 0.750000 0.323356 P\n0.906004 0.656004 0.250000 W\n0.593996 0.843996 0.750000 W\n0.093996 0.343996 0.750000 W\n0.406004 0.156004 0.250000 W\n0.155612 0.588720 0.728316 O\n0.360403 0.427296 0.771684 O\n0.139597 0.911280 0.066892 O\n0.344388 0.072704 0.433108 O\n0.844388 0.411280 0.271684 O\n0.639597 0.572704 0.228316 O\n0.860403 0.088720 0.933108 O\n0.655612 0.927296 0.566892 O\n0.942928 0.673466 0.728246 O\n0.445220 0.214681 0.771754 O\n0.054780 0.826534 0.769462 O\n0.557072 0.285319 0.730538 O\n0.057072 0.326534 0.271754 O\n0.554780 0.785319 0.228246 O\n0.945220 0.173466 0.230538 O\n0.442928 0.714681 0.269462 O\n0.894911 0.807751 0.485139 O\n0.822612 0.409772 0.014861 O\n0.677388 0.692249 0.587160 O\n0.605089 0.090228 0.912840 O\n0.105089 0.192249 0.514861 O\n0.177388 0.590228 0.985139 O\n0.322612 0.307751 0.412840 O\n0.394911 0.909772 0.087160 O\n0.844228 0.767405 0.204494 O\n0.062911 0.639734 0.295506 O\n0.437089 0.732595 0.576823 O\n0.655772 0.860266 0.923177 O\n0.155772 0.232595 0.795506 O\n0.937089 0.360266 0.704494 O\n0.562911 0.267405 0.423177 O\n0.344228 0.139734 0.076823 O\n",
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"elements": [
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"formula_full": "Cs8 Bi4 P4 W4 O32",
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"updated_at": "2021-11-28T01:37:54.856000Z",
"spacegroup": 73
},
{
"id": "mp-1226946",
"created_at": "2022-09-04T14:47:08.276874Z",
"structure_string": "Ce2 Y2 Fe34\n1.0\n4.243140 -7.349334 0.000000\n4.243140 7.349334 0.000000\n0.000000 0.000000 8.310191\nCe Y Fe\n2 2 34\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.393379 Fe\n0.666667 0.333333 0.606621 Fe\n0.666667 0.333333 0.893379 Fe\n0.333333 0.666667 0.106621 Fe\n0.165724 0.834276 0.513286 Fe\n0.165724 0.331449 0.513286 Fe\n0.668551 0.834276 0.513286 Fe\n0.834276 0.165724 0.486714 Fe\n0.834276 0.668551 0.486714 Fe\n0.331449 0.165724 0.486714 Fe\n0.834276 0.165724 0.013286 Fe\n0.834276 0.668551 0.013286 Fe\n0.331449 0.165724 0.013286 Fe\n0.165724 0.834276 0.986714 Fe\n0.165724 0.331449 0.986714 Fe\n0.668551 0.834276 0.986714 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.329327 0.367776 0.250000 Fe\n0.632224 0.961550 0.250000 Fe\n0.038450 0.670673 0.250000 Fe\n0.632224 0.670673 0.250000 Fe\n0.038450 0.367776 0.250000 Fe\n0.329327 0.961550 0.250000 Fe\n0.670673 0.632224 0.750000 Fe\n0.367776 0.038450 0.750000 Fe\n0.961550 0.329327 0.750000 Fe\n0.367776 0.329327 0.750000 Fe\n0.961550 0.632224 0.750000 Fe\n0.670673 0.038450 0.750000 Fe\n",
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"elements": [
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"density": 7.550759418417771,
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"formula_full": "Ce2 Y2 Fe34",
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"spacegroup": 194
},
{
"id": "mp-10293",
"created_at": "2022-09-04T14:47:08.302181Z",
"structure_string": "Ba2 C4\n1.0\n2.388627 3.830470 0.000000\n-2.388627 3.830470 0.000000\n0.000000 2.880929 7.827393\nBa C\n2 4\ndirect\n0.189790 0.810210 0.250000 Ba\n0.810210 0.189790 0.750000 Ba\n0.414028 0.106722 0.445527 C\n0.893278 0.585972 0.054473 C\n0.106722 0.414028 0.945527 C\n0.585972 0.893278 0.554473 C\n",
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"updated_at": "2021-11-28T01:37:54.858000Z",
"spacegroup": 15
},
{
"id": "mp-1226771",
"created_at": "2022-09-04T14:47:01.219523Z",
"structure_string": "Cd1 Ag2 Sn3 S8\n1.0\n6.745229 -3.843950 0.000000\n6.745229 3.843950 0.000000\n4.554650 0.000000 6.287227\nCd Ag Sn S\n1 2 3 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.119477 0.119477 0.119477 Ag\n0.880523 0.880523 0.880523 Ag\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.255698 0.255698 0.255698 S\n0.718734 0.254194 0.254194 S\n0.254194 0.254194 0.718734 S\n0.254194 0.718734 0.254194 S\n0.744302 0.744302 0.744302 S\n0.281266 0.745806 0.745806 S\n0.745806 0.745806 0.281266 S\n0.745806 0.281266 0.745806 S\n",
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"density": 4.791611968330747,
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"volume": 326.0345050436003,
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"formula_full": "Cd1 Ag2 Sn3 S8",
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},
{
"id": "mp-1233814",
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"structure_string": "Mg1 Cr8 P4 O20\n1.0\n7.939048 0.000000 -0.048515\n0.000000 6.623477 0.000000\n-0.039437 0.000000 7.592441\nMg Cr P O\n1 8 4 20\ndirect\n0.759387 0.250000 0.098477 Mg\n0.018481 0.986395 0.997922 Cr\n0.018481 0.513605 0.997922 Cr\n0.168026 0.250000 0.727230 Cr\n0.338403 0.750000 0.222398 Cr\n0.478162 0.992618 0.512176 Cr\n0.478162 0.507382 0.512176 Cr\n0.650062 0.250000 0.763875 Cr\n0.819749 0.750000 0.293763 Cr\n0.105095 0.750000 0.623882 P\n0.364147 0.250000 0.142256 P\n0.606249 0.750000 0.882068 P\n0.907849 0.250000 0.387723 P\n0.071109 0.250000 0.490348 O\n0.109451 0.750000 0.125167 O\n0.128681 0.939948 0.749019 O\n0.128681 0.560052 0.749019 O\n0.221998 0.250000 0.000417 O\n0.253060 0.750000 0.491883 O\n0.351276 0.060266 0.262163 O\n0.351276 0.439734 0.262163 O\n0.404917 0.250000 0.641036 O\n0.441801 0.750000 0.986322 O\n0.532490 0.250000 0.045675 O\n0.559067 0.750000 0.371011 O\n0.614315 0.562662 0.756465 O\n0.614315 0.937338 0.756465 O\n0.741198 0.250000 0.486398 O\n0.761670 0.750000 0.011802 O\n0.898375 0.067210 0.250363 O\n0.898375 0.432790 0.250363 O\n0.898760 0.250000 0.887173 O\n0.931930 0.750000 0.537195 O\n",
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"formula_full": "Mg1 Cr8 P4 O20",
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{
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"updated_at": "2021-11-28T01:37:54.863000Z",
"spacegroup": 194
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{
"id": "mp-760411",
"created_at": "2022-09-04T14:47:13.818316Z",
"structure_string": "Bi2 C1 O5\n1.0\n0.000000 2.783854 7.089768\n2.783332 0.000000 7.089768\n2.783332 2.783854 0.000000\nBi C O\n2 1 5\ndirect\n0.164988 0.159815 0.840185 Bi\n0.840185 0.835012 0.164988 Bi\n0.546281 0.453719 0.546281 C\n0.780342 0.219658 0.780342 O\n0.359521 0.476196 0.523804 O\n0.751407 0.748593 0.751407 O\n0.523804 0.640479 0.359521 O\n0.251407 0.248593 0.251407 O\n",
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"formula_full": "Bi2 C1 O5",
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{
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"structure_string": "Sc6 Ga2\n1.0\n3.117999 -5.400533 0.000000\n3.117999 5.400533 0.000000\n0.000000 0.000000 5.034185\nSc Ga\n6 2\ndirect\n0.171527 0.343054 0.250000 Sc\n0.656946 0.828473 0.250000 Sc\n0.171527 0.828473 0.250000 Sc\n0.828473 0.656946 0.750000 Sc\n0.343054 0.171527 0.750000 Sc\n0.828473 0.171527 0.750000 Sc\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
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{
"id": "mp-1025245",
"created_at": "2022-09-04T14:47:03.810111Z",
"structure_string": "La2 Re2 Si2 C1\n1.0\n2.068703 5.679370 0.000000\n-2.068703 5.679370 0.000000\n0.000000 4.538736 5.750363\nLa Re Si C\n2 2 2 1\ndirect\n0.430628 0.430628 0.303234 La\n0.569372 0.569372 0.696766 La\n0.798844 0.798844 0.086345 Re\n0.201156 0.201156 0.913655 Re\n0.842613 0.842613 0.712476 Si\n0.157387 0.157387 0.287524 Si\n0.000000 0.000000 0.000000 C\n",
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{
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}