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{
"id": "mp-601348",
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"structure_string": "Lu4 P8 H16 N4 O28\n1.0\n10.993712 0.000000 0.000000\n0.000000 7.734019 0.000000\n0.000000 2.434135 8.403867\nLu P H N O\n4 8 16 4 28\ndirect\n0.399615 0.764348 0.756407 Lu\n0.899615 0.235652 0.743593 Lu\n0.600385 0.235652 0.243593 Lu\n0.100385 0.764348 0.256407 Lu\n0.400381 0.871986 0.323910 P\n0.900381 0.128014 0.176090 P\n0.599619 0.128014 0.676090 P\n0.099619 0.871986 0.823910 P\n0.365751 0.566267 0.188354 P\n0.865751 0.433733 0.311646 P\n0.634249 0.433733 0.811646 P\n0.134249 0.566267 0.688354 P\n0.297812 0.157937 0.049289 H\n0.797812 0.842063 0.450711 H\n0.702188 0.842063 0.950711 H\n0.202188 0.157937 0.549289 H\n0.415582 0.177487 0.925665 H\n0.915582 0.822513 0.574335 H\n0.584418 0.822513 0.074335 H\n0.084418 0.177487 0.425665 H\n0.283601 0.099120 0.879419 H\n0.783601 0.900880 0.620581 H\n0.716399 0.900880 0.120581 H\n0.216399 0.099120 0.379419 H\n0.297489 0.322671 0.868161 H\n0.797489 0.677329 0.631839 H\n0.702511 0.677329 0.131839 H\n0.202511 0.322671 0.368161 H\n0.322771 0.191178 0.931145 N\n0.822771 0.808822 0.568855 N\n0.677229 0.808822 0.068855 N\n0.177229 0.191178 0.431145 N\n0.407449 0.850420 0.501239 O\n0.907449 0.149580 0.998761 O\n0.592551 0.149580 0.498761 O\n0.092551 0.850420 0.001239 O\n0.228380 0.927841 0.757048 O\n0.728380 0.072159 0.742952 O\n0.771620 0.072159 0.242952 O\n0.271620 0.927841 0.257048 O\n0.385175 0.678119 0.016658 O\n0.885175 0.321881 0.483342 O\n0.614825 0.321881 0.983342 O\n0.114825 0.678119 0.516658 O\n0.502699 0.001397 0.772696 O\n0.002699 0.998603 0.727304 O\n0.497301 0.998603 0.227304 O\n0.997301 0.001397 0.272696 O\n0.569512 0.614973 0.771488 O\n0.069512 0.385027 0.728512 O\n0.430488 0.385027 0.228512 O\n0.930488 0.614973 0.271488 O\n0.268716 0.545785 0.740188 O\n0.768716 0.454215 0.759812 O\n0.731284 0.454215 0.259812 O\n0.231284 0.545785 0.240188 O\n0.431898 0.675581 0.300379 O\n0.931898 0.324419 0.199621 O\n0.568102 0.324419 0.699621 O\n0.068102 0.675581 0.800379 O\n",
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"formula_full": "Lu4 P8 H16 N4 O28",
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"spacegroup": 14
},
{
"id": "mp-1080129",
"created_at": "2022-09-04T14:45:36.114247Z",
"structure_string": "Sm3 Sn3 Rh3\n1.0\n3.795583 -6.574142 0.000000\n3.795583 6.574142 0.000000\n0.000000 0.000000 3.997078\nSm Sn Rh\n3 3 3\ndirect\n0.408418 0.408418 0.500000 Sm\n0.591582 0.000000 0.500000 Sm\n0.000000 0.591582 0.500000 Sm\n0.743337 0.743337 0.000000 Sn\n0.256663 0.000000 0.000000 Sn\n0.000000 0.256663 0.000000 Sn\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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"density": 9.289546139547687,
"density_atomic": 0.04511825735958695,
"volume": 199.4757893300512,
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"formula_full": "Sm3 Sn3 Rh3",
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"updated_at": "2021-11-28T01:37:03.352000Z",
"spacegroup": 189
},
{
"id": "mp-1105237",
"created_at": "2022-09-04T14:45:34.736231Z",
"structure_string": "Sr4 Yb2 Sb2 O12\n1.0\n5.885619 0.000000 -0.011376\n0.000000 5.936724 0.000000\n0.003615 0.000000 8.333239\nSr Yb Sb O\n4 2 2 12\ndirect\n0.492252 0.536695 0.249886 Sr\n0.992252 0.963305 0.749886 Sr\n0.507748 0.463305 0.750114 Sr\n0.007748 0.036695 0.250114 Sr\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.229165 0.801679 0.459541 O\n0.729165 0.698321 0.959541 O\n0.770835 0.198321 0.540459 O\n0.270835 0.301679 0.040459 O\n0.194553 0.771418 0.044029 O\n0.694553 0.728582 0.544029 O\n0.805447 0.228582 0.955971 O\n0.305447 0.271418 0.455971 O\n0.580289 0.975941 0.266306 O\n0.080289 0.524059 0.766306 O\n0.419711 0.024059 0.733694 O\n0.919711 0.475941 0.233694 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "O-Sb-Sr-Yb",
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"density_atomic": 0.06868735450813439,
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"formula_full": "Sr4 Yb2 Sb2 O12",
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},
{
"id": "mp-541910",
"created_at": "2022-09-04T14:45:34.548658Z",
"structure_string": "Sr2 Mo4 As4 O24\n1.0\n7.034419 0.000000 0.000000\n0.000000 6.682199 0.000000\n0.000000 0.265504 10.679288\nSr Mo As O\n2 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.952378 0.751514 0.835887 Mo\n0.452378 0.248486 0.664113 Mo\n0.047622 0.248486 0.164113 Mo\n0.547622 0.751514 0.335887 Mo\n0.958346 0.742425 0.155217 As\n0.458346 0.257575 0.344783 As\n0.041654 0.257575 0.844783 As\n0.541654 0.742425 0.655217 As\n0.814294 0.723122 0.026946 O\n0.314294 0.276878 0.473054 O\n0.185706 0.276878 0.973054 O\n0.685706 0.723122 0.526946 O\n0.120160 0.547688 0.160355 O\n0.620160 0.452312 0.339645 O\n0.879840 0.452312 0.839645 O\n0.379840 0.547688 0.660355 O\n0.090914 0.960124 0.139992 O\n0.590914 0.039876 0.360008 O\n0.909086 0.039876 0.860008 O\n0.409086 0.960124 0.639992 O\n0.853252 0.742582 0.300428 O\n0.353252 0.257418 0.199572 O\n0.146748 0.257418 0.699572 O\n0.646748 0.742582 0.800428 O\n0.176405 0.714458 0.903405 O\n0.676405 0.285542 0.596595 O\n0.823595 0.285542 0.096595 O\n0.323595 0.714458 0.403405 O\n0.006593 0.756665 0.676981 O\n0.506593 0.243335 0.823019 O\n0.993407 0.243335 0.323019 O\n0.493407 0.756665 0.176981 O\n",
"nsites": 34,
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"elements": [
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],
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"density": 4.110698962072812,
"density_atomic": 0.06773123274080933,
"volume": 501.9840718108526,
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"formula_full": "Sr2 Mo4 As4 O24",
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"formula_anonymous": "AB2C2D12",
"energy": -253.94796802,
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{
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"created_at": "2022-09-04T14:45:34.046504Z",
"structure_string": "Ho1 Si2\n1.0\n2.042148 -3.537105 0.000000\n2.042148 3.537105 0.000000\n0.000000 0.000000 3.917879\nHo Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
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"elements": [
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],
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"density": 6.486706565853466,
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"volume": 56.59996730382727,
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"formula_full": "Ho1 Si2",
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"spacegroup": 191
},
{
"id": "mp-1190581",
"created_at": "2022-09-04T14:45:35.791090Z",
"structure_string": "Re8 Si14\n1.0\n0.000000 3.158900 0.000000\n0.415481 0.000000 -8.333422\n-11.649637 -1.579450 0.000000\nRe Si\n8 14\ndirect\n0.149103 0.588715 0.298206 Re\n0.274281 0.479876 0.548562 Re\n0.398329 0.366614 0.796657 Re\n0.522842 0.223691 0.045684 Re\n0.652366 0.109696 0.304732 Re\n0.768564 0.969969 0.537129 Re\n0.898463 0.850088 0.796926 Re\n0.023765 0.715986 0.047531 Re\n0.182967 0.889461 0.365935 Si\n0.316279 0.788114 0.632557 Si\n0.441997 0.655228 0.883994 Si\n0.567704 0.523632 0.135409 Si\n0.690199 0.394451 0.380397 Si\n0.826546 0.234946 0.653091 Si\n0.995636 0.000231 0.991271 Si\n0.104901 0.294120 0.209801 Si\n0.234744 0.184223 0.469487 Si\n0.730073 0.684764 0.460147 Si\n0.855523 0.560365 0.711046 Si\n0.980863 0.421546 0.961726 Si\n0.578446 0.896825 0.156892 Si\n0.414279 0.080855 0.828558 Si\n",
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{
"id": "mp-540914",
"created_at": "2022-09-04T14:45:34.847654Z",
"structure_string": "K12 Mn4 O12\n1.0\n6.736774 0.004871 -0.000009\n-0.726598 6.792753 -0.000006\n-0.000016 -0.000012 11.676321\nK Mn O\n12 4 12\ndirect\n0.652716 0.858559 0.990260 K\n0.347268 0.641430 0.490258 K\n0.347268 0.141428 0.009743 K\n0.652715 0.358560 0.509739 K\n0.526764 0.507566 0.212183 K\n0.473218 0.992415 0.712177 K\n0.473217 0.492414 0.787825 K\n0.526764 0.007567 0.287817 K\n0.019836 0.580048 0.726055 K\n0.980142 0.919932 0.226062 K\n0.980140 0.419933 0.273939 K\n0.019837 0.080049 0.773944 K\n0.158491 0.158931 0.496304 Mn\n0.158489 0.658929 0.003696 Mn\n0.841554 0.341110 0.996296 Mn\n0.841552 0.841113 0.503702 Mn\n0.109328 0.400491 0.926117 O\n0.890686 0.099517 0.426115 O\n0.890688 0.599514 0.073884 O\n0.109324 0.900492 0.573882 O\n0.699396 0.216676 0.872004 O\n0.300605 0.283324 0.372001 O\n0.300603 0.783324 0.127999 O\n0.699396 0.716679 0.627997 O\n0.276861 0.805866 0.880187 O\n0.723141 0.694136 0.380189 O\n0.723142 0.194133 0.119811 O\n0.276861 0.305868 0.619814 O\n",
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"volume": 534.3642741226499,
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"formula_full": "K12 Mn4 O12",
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"spacegroup": 14
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{
"id": "mp-556289",
"created_at": "2022-09-04T14:45:34.860654Z",
"structure_string": "Na8 Er4 Mo4 P4 O32\n1.0\n-3.452054 6.077114 9.104074\n3.452054 -6.077114 9.104074\n3.452054 6.077114 -9.104074\nNa Er Mo P O\n8 4 4 4 32\ndirect\n0.791553 0.350325 0.449900 Na\n0.291553 0.841653 0.441228 Na\n0.208447 0.649675 0.550100 Na\n0.599575 0.658347 0.949900 Na\n0.900425 0.850325 0.058772 Na\n0.708447 0.158347 0.558772 Na\n0.099575 0.149675 0.941228 Na\n0.400425 0.341653 0.050100 Na\n0.321729 0.250000 0.571729 Er\n0.178271 0.750000 0.928271 Er\n0.678271 0.750000 0.428271 Er\n0.821729 0.250000 0.071729 Er\n0.926991 0.676991 0.250000 Mo\n0.073009 0.323009 0.750000 Mo\n0.573009 0.823009 0.750000 Mo\n0.426991 0.176991 0.250000 Mo\n0.068772 0.250000 0.318772 P\n0.931228 0.750000 0.681228 P\n0.568772 0.250000 0.818772 P\n0.431228 0.750000 0.181228 P\n0.398823 0.811478 0.671935 O\n0.560350 0.327359 0.751806 O\n0.860457 0.688522 0.087345 O\n0.939650 0.691456 0.767009 O\n0.360457 0.273111 0.171935 O\n0.141870 0.067520 0.223056 O\n0.154683 0.168377 0.563549 O\n0.924447 0.191456 0.251806 O\n0.104828 0.591134 0.936451 O\n0.655535 0.081186 0.723056 O\n0.439650 0.672641 0.248194 O\n0.858130 0.932480 0.776944 O\n0.101177 0.773111 0.412655 O\n0.604828 0.668377 0.513694 O\n0.075553 0.808544 0.748194 O\n0.654683 0.091134 0.986306 O\n0.898823 0.226889 0.587345 O\n0.601177 0.188522 0.328065 O\n0.345317 0.908866 0.013694 O\n0.844465 0.567520 0.425651 O\n0.060350 0.308544 0.232991 O\n0.344465 0.918814 0.276944 O\n0.424447 0.172641 0.732991 O\n0.395172 0.331623 0.486306 O\n0.358130 0.581186 0.925651 O\n0.895172 0.408866 0.063549 O\n0.575553 0.827359 0.267009 O\n0.139543 0.311478 0.912655 O\n0.155535 0.432480 0.574349 O\n0.641870 0.418814 0.074349 O\n0.845317 0.831623 0.436451 O\n0.639543 0.726889 0.828065 O\n",
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"formula_full": "Na8 Er4 Mo4 P4 O32",
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"spacegroup": 73
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{
"id": "mp-9810",
"created_at": "2022-09-04T14:45:34.896033Z",
"structure_string": "Tl2 Fe2 Se4\n1.0\n2.748246 6.411972 0.000000\n-2.748246 6.411972 0.000000\n0.000000 3.322057 6.098985\nTl Fe Se\n2 2 4\ndirect\n0.186615 0.186615 0.361477 Tl\n0.813385 0.813385 0.638523 Tl\n0.248507 0.751493 0.000000 Fe\n0.751493 0.248507 0.000000 Fe\n0.464341 0.464341 0.292674 Se\n0.535659 0.535659 0.707326 Se\n0.835407 0.835407 0.088132 Se\n0.164593 0.164593 0.911868 Se\n",
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"elements": [
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],
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"formula_full": "Tl2 Fe2 Se4",
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