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{
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"results": [
{
"id": "mp-1523308",
"created_at": "2022-09-04T14:46:34.987753Z",
"structure_string": "Ba4 Sr4 Gd4 Sb4 O24\n1.0\n8.487136 0.000000 0.000000\n0.000000 8.493072 0.000000\n0.000000 0.000000 8.499502\nBa Sr Gd Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.751649 0.750051 0.748159 Gd\n0.248351 0.249949 0.748159 Gd\n0.248351 0.750051 0.251841 Gd\n0.751649 0.249949 0.251841 Gd\n0.247118 0.248835 0.254096 Sb\n0.752882 0.751165 0.254096 Sb\n0.752882 0.248835 0.745904 Sb\n0.247118 0.751165 0.745904 Sb\n0.013921 0.221885 0.284641 O\n0.986079 0.778115 0.284641 O\n0.986079 0.221885 0.715359 O\n0.013921 0.778115 0.715359 O\n0.268190 0.014477 0.226490 O\n0.268190 0.985523 0.773510 O\n0.731810 0.985523 0.226490 O\n0.731810 0.014477 0.773510 O\n0.217908 0.277372 0.017898 O\n0.782092 0.277372 0.982102 O\n0.217908 0.722628 0.982102 O\n0.782092 0.722628 0.017898 O\n0.483169 0.272158 0.229566 O\n0.516831 0.727842 0.229566 O\n0.516831 0.272158 0.770434 O\n0.483169 0.727842 0.770434 O\n0.220064 0.483920 0.281940 O\n0.220064 0.516080 0.718060 O\n0.779936 0.516080 0.281940 O\n0.779936 0.483920 0.718060 O\n0.279694 0.220543 0.486658 O\n0.720306 0.220543 0.513342 O\n0.279694 0.779457 0.513342 O\n0.720306 0.779457 0.486658 O\n",
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"formula_full": "Ba4 Sr4 Gd4 Sb4 O24",
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"spacegroup": 16
},
{
"id": "mp-1229294",
"created_at": "2022-09-04T14:46:35.710771Z",
"structure_string": "Al2 Zn2 H20 O14 F10\n1.0\n0.063943 0.136477 -6.693816\n-5.131407 -6.919086 1.181235\n-5.331983 7.020222 0.841703\nAl Zn H O F\n2 2 20 14 10\ndirect\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.101503 0.753014 0.381680 H\n0.104595 0.366215 0.723955 H\n0.898497 0.246986 0.618320 H\n0.895405 0.633785 0.276045 H\n0.945729 0.010050 0.691500 H\n0.954321 0.693444 0.021897 H\n0.054271 0.989950 0.308500 H\n0.045679 0.306556 0.978103 H\n0.602690 0.940339 0.835799 H\n0.594507 0.854781 0.973533 H\n0.397310 0.059661 0.164201 H\n0.405493 0.145219 0.026467 H\n0.177517 0.983827 0.726479 H\n0.182476 0.734363 0.984182 H\n0.822483 0.016173 0.273521 H\n0.817524 0.265637 0.015818 H\n0.665614 0.250532 0.366959 H\n0.644107 0.415949 0.321867 H\n0.334386 0.749468 0.633041 H\n0.355893 0.584051 0.678133 H\n0.682412 0.931293 0.931657 O\n0.317588 0.068707 0.068343 O\n0.728916 0.369226 0.384890 O\n0.271084 0.630774 0.615110 O\n0.042276 0.976719 0.762803 O\n0.042913 0.754096 0.965926 O\n0.957724 0.023281 0.237197 O\n0.957087 0.245904 0.034074 O\n0.726768 0.593052 0.729916 O\n0.273232 0.406948 0.270084 O\n0.004891 0.644031 0.361564 O\n0.995109 0.355969 0.638436 O\n0.602227 0.487454 0.761006 O\n0.397773 0.512546 0.238994 O\n0.574742 0.069775 0.322202 F\n0.565288 0.311993 0.000195 F\n0.425258 0.930225 0.677798 F\n0.434712 0.688007 0.999805 F\n0.769237 0.085112 0.600127 F\n0.747561 0.595676 0.092874 F\n0.230763 0.914888 0.399873 F\n0.252439 0.404324 0.907126 F\n0.572612 0.810938 0.420607 F\n0.427388 0.189062 0.579393 F\n",
"nsites": 48,
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"elements": [
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"Zn",
"H",
"O",
"F"
],
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"density_atomic": 0.09858004346336519,
"volume": 486.9139666979149,
"volume_molar": 6.10888426138499,
"formula_full": "Al2 Zn2 H20 O14 F10",
"formula_reduced": "AlZnH10O7F5",
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"energy": -250.23557143,
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},
{
"id": "mp-677482",
"created_at": "2022-09-04T14:46:29.258280Z",
"structure_string": "La4 Al8 Si20 N36 O4\n1.0\n9.414317 0.000000 0.000000\n0.000000 9.163138 0.000000\n0.000000 0.021614 9.834634\nLa Al Si N O\n4 8 20 36 4\ndirect\n0.622853 0.155808 0.385547 La\n0.377147 0.155808 0.885547 La\n0.869347 0.353786 0.393801 La\n0.130653 0.353786 0.893801 La\n0.167535 0.936528 0.680677 Al\n0.832465 0.936528 0.180677 Al\n0.751766 0.750589 0.909891 Al\n0.248234 0.750589 0.409891 Al\n0.252061 0.248447 0.565763 Al\n0.747939 0.248447 0.065763 Al\n0.518227 0.995703 0.096299 Al\n0.481773 0.995703 0.596299 Al\n0.015873 0.980359 0.421220 Si\n0.984127 0.980359 0.921220 Si\n0.458436 0.817728 0.838462 Si\n0.541564 0.817728 0.338462 Si\n0.044802 0.676260 0.843471 Si\n0.955198 0.676260 0.343471 Si\n0.326638 0.560540 0.677225 Si\n0.673362 0.560540 0.177225 Si\n0.483356 0.515748 0.418321 Si\n0.516644 0.515748 0.918321 Si\n0.029436 0.498151 0.593076 Si\n0.970564 0.498151 0.093076 Si\n0.182766 0.452745 0.318397 Si\n0.817234 0.452745 0.818397 Si\n0.553548 0.336261 0.665231 Si\n0.446452 0.336261 0.165231 Si\n0.043188 0.167451 0.167039 Si\n0.956812 0.167451 0.667039 Si\n0.689524 0.051698 0.820246 Si\n0.310476 0.051698 0.320246 Si\n0.137466 0.877138 0.509863 N\n0.862534 0.877138 0.009863 N\n0.371209 0.870937 0.303555 N\n0.628791 0.870937 0.803555 N\n0.086172 0.856828 0.830394 N\n0.913828 0.856828 0.330394 N\n0.583223 0.637930 0.316974 N\n0.416777 0.637930 0.816974 N\n0.131860 0.631900 0.306133 N\n0.868140 0.631900 0.806133 N\n0.626848 0.625994 0.017679 N\n0.373152 0.625994 0.517679 N\n0.087058 0.582103 0.988444 N\n0.912942 0.582103 0.488444 N\n0.143699 0.579253 0.710421 N\n0.856301 0.579253 0.210421 N\n0.634336 0.424624 0.801618 N\n0.365664 0.424624 0.301618 N\n0.593893 0.389547 0.501178 N\n0.406107 0.389547 0.001178 N\n0.131681 0.384047 0.481133 N\n0.868319 0.384047 0.981133 N\n0.632034 0.369275 0.189741 N\n0.367966 0.369275 0.689741 N\n0.074685 0.362290 0.189787 N\n0.925315 0.362290 0.689787 N\n0.583659 0.144159 0.689955 N\n0.416341 0.144159 0.189955 N\n0.142001 0.142610 0.695361 N\n0.857999 0.142610 0.195361 N\n0.624899 0.117201 0.977129 N\n0.375101 0.117201 0.477129 N\n0.090398 0.111267 0.006007 N\n0.909602 0.111267 0.506007 N\n0.129315 0.079490 0.301622 N\n0.870685 0.079490 0.801622 N\n0.636879 0.913200 0.216858 O\n0.363121 0.913200 0.716858 O\n0.593197 0.902404 0.479281 O\n0.406803 0.902404 0.979281 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
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"Al",
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"O"
],
"chemical_system": "Al-La-N-O-Si",
"density": 3.721659108097076,
"density_atomic": 0.08486746877264932,
"volume": 848.381612427727,
"volume_molar": 7.095935400327136,
"formula_full": "La4 Al8 Si20 N36 O4",
"formula_reduced": "LaAl2Si5N9O",
"formula_anonymous": "ABC2D5E9",
"energy": -584.8931604300001,
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"updated_at": "2021-11-28T01:37:29.609000Z",
"spacegroup": 7
},
{
"id": "mp-677082",
"created_at": "2022-09-04T14:46:35.709130Z",
"structure_string": "Ce16 Si16 N28 Cl4 O12\n1.0\n10.589632 0.000000 0.000000\n0.000000 10.393111 0.000000\n0.000000 0.000000 10.458177\nCe Si N Cl O\n16 16 28 4 12\ndirect\n0.041632 0.813608 0.690239 Ce\n0.101821 0.107418 0.109556 Ce\n0.180118 0.195305 0.449794 Ce\n0.188301 0.455533 0.187933 Ce\n0.311699 0.544467 0.687933 Ce\n0.319882 0.804695 0.949794 Ce\n0.398179 0.892582 0.609556 Ce\n0.458368 0.186392 0.190239 Ce\n0.541632 0.686392 0.309761 Ce\n0.601821 0.392582 0.890444 Ce\n0.680118 0.304695 0.550206 Ce\n0.688301 0.044467 0.812067 Ce\n0.811699 0.955533 0.312067 Ce\n0.819882 0.695305 0.050206 Ce\n0.898179 0.607418 0.390444 Ce\n0.958368 0.313608 0.809761 Ce\n0.071150 0.571969 0.928778 Si\n0.076969 0.748090 0.196863 Si\n0.194741 0.080697 0.743600 Si\n0.245673 0.304311 0.919441 Si\n0.254327 0.695689 0.419441 Si\n0.305259 0.919303 0.243600 Si\n0.423031 0.251910 0.696863 Si\n0.428850 0.428031 0.428778 Si\n0.571150 0.928031 0.071222 Si\n0.576969 0.751910 0.803137 Si\n0.694741 0.419303 0.256400 Si\n0.745673 0.195689 0.080559 Si\n0.754327 0.804311 0.580559 Si\n0.805259 0.580697 0.756400 Si\n0.923031 0.248090 0.303137 Si\n0.928850 0.071969 0.571222 Si\n0.056067 0.634632 0.078000 N\n0.076578 0.288125 0.261623 N\n0.076057 0.054597 0.635894 N\n0.129201 0.652457 0.325116 N\n0.135557 0.421929 0.943400 N\n0.153322 0.174385 0.872357 N\n0.176933 0.871633 0.152826 N\n0.323067 0.128367 0.652826 N\n0.346678 0.825615 0.372357 N\n0.364443 0.578071 0.443400 N\n0.370799 0.347543 0.825116 N\n0.423943 0.945403 0.135894 N\n0.423422 0.711875 0.761623 N\n0.443933 0.365368 0.578000 N\n0.556067 0.865368 0.922000 N\n0.576578 0.211875 0.738377 N\n0.576057 0.445403 0.364106 N\n0.629201 0.847543 0.674884 N\n0.635557 0.078071 0.056600 N\n0.653322 0.325615 0.127643 N\n0.676933 0.628367 0.847174 N\n0.823067 0.371633 0.347174 N\n0.846678 0.674385 0.627643 N\n0.864443 0.921929 0.556600 N\n0.870799 0.152457 0.174884 N\n0.923943 0.554597 0.864106 N\n0.923422 0.788125 0.238377 N\n0.943933 0.134632 0.422000 N\n0.071408 0.428828 0.575208 Cl\n0.428592 0.571172 0.075208 Cl\n0.571408 0.071172 0.424792 Cl\n0.928592 0.928828 0.924792 Cl\n0.160412 0.665586 0.835238 O\n0.208575 0.736404 0.568486 O\n0.233245 0.929627 0.788589 O\n0.266755 0.070373 0.288589 O\n0.291425 0.263596 0.068486 O\n0.339588 0.334414 0.335238 O\n0.660412 0.834414 0.164762 O\n0.708575 0.763596 0.431514 O\n0.733245 0.570373 0.211411 O\n0.766755 0.429627 0.711411 O\n0.791425 0.236404 0.931514 O\n0.839588 0.165586 0.664762 O\n",
"nsites": 76,
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"elements": [
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"N",
"Cl",
"O"
],
"chemical_system": "Ce-Cl-N-O-Si",
"density": 4.929911894315399,
"density_atomic": 0.06602846036584412,
"volume": 1151.0188118715255,
"volume_molar": 9.120522766445113,
"formula_full": "Ce16 Si16 N28 Cl4 O12",
"formula_reduced": "Ce4Si4N7ClO3",
"formula_anonymous": "AB3C4D4E7",
"energy": -643.8188970899998,
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"updated_at": "2021-11-28T01:37:39.026000Z",
"spacegroup": 19
},
{
"id": "mp-1209704",
"created_at": "2022-09-04T14:46:26.095125Z",
"structure_string": "Rb4 Na4 Al6 Si6 O24\n1.0\n0.000000 0.000000 -5.293153\n0.000000 -8.334802 0.000000\n-15.500889 0.000000 0.000000\nRb Na Al Si O\n4 4 6 6 24\ndirect\n0.830275 0.346068 0.786130 Rb\n0.330275 0.653932 0.713870 Rb\n0.330275 0.653932 0.286130 Rb\n0.830275 0.346068 0.213870 Rb\n0.805292 0.172175 0.000000 Na\n0.305292 0.827825 0.500000 Na\n0.316101 0.826635 0.000000 Na\n0.816101 0.173365 0.500000 Na\n0.842833 0.894059 0.854736 Al\n0.342833 0.105941 0.645264 Al\n0.342833 0.105941 0.354736 Al\n0.842833 0.894059 0.145264 Al\n0.336765 0.400578 0.000000 Al\n0.836765 0.599422 0.500000 Al\n0.841083 0.614961 0.000000 Si\n0.341083 0.385039 0.500000 Si\n0.842059 0.889677 0.641729 Si\n0.342059 0.110323 0.858271 Si\n0.342059 0.110323 0.141729 Si\n0.842059 0.889677 0.358271 Si\n0.008225 0.446660 0.000000 O\n0.508225 0.553340 0.500000 O\n0.920182 0.722211 0.915102 O\n0.420182 0.277789 0.584898 O\n0.420182 0.277789 0.415102 O\n0.920182 0.722211 0.084898 O\n0.537077 0.571346 0.000000 O\n0.037077 0.428654 0.500000 O\n0.544163 0.969991 0.887355 O\n0.044163 0.030009 0.612645 O\n0.044163 0.030009 0.387355 O\n0.544163 0.969991 0.112645 O\n0.862179 0.848091 0.744530 O\n0.362179 0.151909 0.755470 O\n0.362179 0.151909 0.244530 O\n0.862179 0.848091 0.255470 O\n0.555218 0.948203 0.615194 O\n0.055218 0.051797 0.884806 O\n0.055218 0.051797 0.115194 O\n0.555218 0.948203 0.384806 O\n0.913818 0.723750 0.589567 O\n0.413818 0.276250 0.910433 O\n0.413818 0.276250 0.089567 O\n0.913818 0.723750 0.410433 O\n",
"nsites": 44,
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"volume": 683.8586446187284,
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"formula_full": "Rb4 Na4 Al6 Si6 O24",
"formula_reduced": "Rb2Na2Al3(SiO4)3",
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"spacegroup": 31
},
{
"id": "mp-777350",
"created_at": "2022-09-04T14:46:30.267813Z",
"structure_string": "Li10 Mn2 Fe3 Co3 O16\n1.0\n5.876641 0.000000 0.000000\n2.918925 5.282269 0.000000\n0.037208 0.031681 9.860295\nLi Mn Fe Co O\n10 2 3 3 16\ndirect\n0.982483 0.030294 0.975133 Li\n0.005974 0.981475 0.485247 Li\n0.208315 0.592693 0.534354 Li\n0.188389 0.205697 0.554284 Li\n0.311329 0.378288 0.767488 Li\n0.378785 0.805517 0.051630 Li\n0.617711 0.211763 0.555984 Li\n0.824255 0.796228 0.048775 Li\n0.797310 0.414509 0.040123 Li\n0.674391 0.651196 0.269090 Li\n0.324942 0.340897 0.021342 Mn\n0.653542 0.696008 0.526569 Mn\n0.175704 0.154549 0.279266 Fe\n0.670177 0.153743 0.277899 Fe\n0.811062 0.376458 0.777971 Fe\n0.173950 0.650792 0.279679 Co\n0.316864 0.866057 0.780163 Co\n0.809139 0.869364 0.781598 Co\n0.005934 0.989477 0.165459 O\n0.961946 0.044612 0.673459 O\n0.128271 0.713981 0.895661 O\n0.027545 0.471493 0.153313 O\n0.498949 0.471578 0.147407 O\n0.344167 0.314366 0.398576 O\n0.139588 0.212249 0.904061 O\n0.502604 0.995753 0.162450 O\n0.340610 0.826962 0.407017 O\n0.648245 0.196761 0.895619 O\n0.498965 0.020471 0.666911 O\n0.502510 0.536507 0.648863 O\n0.833818 0.822272 0.403771 O\n0.662375 0.692746 0.894596 O\n0.960399 0.553467 0.657126 O\n0.851046 0.298213 0.395964 O\n",
"nsites": 34,
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],
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"density": 4.229485247007404,
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