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"results": [
{
"id": "mp-1518127",
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"structure_string": "Na1 Ca1 In1 W1 O6\n1.0\n0.000000 -4.054147 -4.054147\n4.054147 -0.000000 -4.054147\n4.054147 -4.054147 0.000000\nNa Ca In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 W\n0.738939 0.261061 0.261061 O\n0.261061 0.738939 0.738939 O\n0.738939 0.261061 0.738939 O\n0.261061 0.738939 0.261061 O\n0.738939 0.738939 0.261061 O\n0.261061 0.261061 0.738939 O\n",
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{
"id": "mp-14704",
"created_at": "2022-09-04T14:39:07.030689Z",
"structure_string": "Li24 Y4 B12 O36\n1.0\n16.541860 0.000000 0.000000\n0.000000 6.724091 0.000000\n0.000000 1.931438 7.006309\nLi Y B O\n24 4 12 36\ndirect\n0.552789 0.584732 0.862425 Li\n0.052789 0.915268 0.137575 Li\n0.447211 0.415268 0.137575 Li\n0.947211 0.084732 0.862425 Li\n0.795276 0.545623 0.438379 Li\n0.295276 0.954377 0.561621 Li\n0.204724 0.454377 0.561621 Li\n0.704724 0.045623 0.438379 Li\n0.964725 0.555717 0.306643 Li\n0.464725 0.944283 0.693357 Li\n0.035275 0.444283 0.693357 Li\n0.535275 0.055717 0.306643 Li\n0.705762 0.634507 0.715081 Li\n0.205762 0.865493 0.284919 Li\n0.294238 0.365493 0.284919 Li\n0.794238 0.134507 0.715081 Li\n0.969891 0.829778 0.546701 Li\n0.469891 0.670222 0.453299 Li\n0.030109 0.170222 0.453299 Li\n0.530109 0.329778 0.546701 Li\n0.004054 0.323992 0.071388 Li\n0.504054 0.176008 0.928612 Li\n0.995946 0.676008 0.928612 Li\n0.495946 0.823992 0.071388 Li\n0.810199 0.347216 0.079743 Y\n0.310199 0.152784 0.920257 Y\n0.189801 0.652784 0.920257 Y\n0.689801 0.847216 0.079743 Y\n0.635608 0.338275 0.083545 B\n0.135608 0.161725 0.916455 B\n0.364392 0.661725 0.916455 B\n0.864392 0.838275 0.083545 B\n0.620774 0.999329 0.714035 B\n0.120774 0.500671 0.285965 B\n0.379226 0.000671 0.285965 B\n0.879226 0.499329 0.714035 B\n0.884816 0.189383 0.439278 B\n0.384816 0.310617 0.560722 B\n0.115184 0.810617 0.560722 B\n0.615184 0.689383 0.439278 B\n0.826120 0.027737 0.007489 O\n0.326120 0.472263 0.992511 O\n0.173880 0.972263 0.992511 O\n0.673880 0.527737 0.007489 O\n0.685394 0.166262 0.145771 O\n0.185394 0.333738 0.854229 O\n0.314606 0.833738 0.854229 O\n0.814606 0.666262 0.145771 O\n0.553350 0.323776 0.087596 O\n0.053350 0.176224 0.912404 O\n0.446650 0.676224 0.912404 O\n0.946650 0.823776 0.087596 O\n0.574046 0.958254 0.879774 O\n0.074046 0.541746 0.120226 O\n0.425954 0.041746 0.120226 O\n0.925954 0.458254 0.879774 O\n0.797820 0.442367 0.740074 O\n0.297820 0.057633 0.259926 O\n0.202180 0.557633 0.259926 O\n0.702180 0.942367 0.740074 O\n0.588427 0.086308 0.537420 O\n0.088427 0.413692 0.462580 O\n0.411573 0.913692 0.462580 O\n0.911573 0.586308 0.537420 O\n0.568672 0.771244 0.276429 O\n0.068672 0.728756 0.723571 O\n0.431328 0.228756 0.723571 O\n0.931328 0.271244 0.276429 O\n0.802093 0.228416 0.421386 O\n0.302093 0.271584 0.578614 O\n0.197907 0.771584 0.578614 O\n0.697907 0.728416 0.421386 O\n0.921420 0.077134 0.605079 O\n0.421420 0.422866 0.394921 O\n0.078580 0.922866 0.394921 O\n0.578580 0.577134 0.605079 O\n",
"nsites": 76,
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"elements": [
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"B",
"O"
],
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"volume": 779.3045472288478,
"volume_molar": 6.175107471473933,
"formula_full": "Li24 Y4 B12 O36",
"formula_reduced": "Li6Y(BO3)3",
"formula_anonymous": "AB3C6D9",
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"spacegroup": 14
},
{
"id": "mp-1186773",
"created_at": "2022-09-04T14:39:07.052853Z",
"structure_string": "Sr1 Sm3\n1.0\n5.272202 0.000000 0.000000\n0.000000 5.272202 0.000000\n0.000000 0.000000 5.272202\nSr Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
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"elements": [
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"volume": 146.5467274476683,
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"formula_full": "Sr1 Sm3",
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"updated_at": "2021-11-28T01:34:42.033000Z",
"spacegroup": 221
},
{
"id": "mp-760982",
"created_at": "2022-09-04T14:39:07.065481Z",
"structure_string": "Li6 Mn6 Cr2 O16\n1.0\n2.841838 -4.927268 0.000000\n2.841838 4.927268 0.000000\n0.000000 0.000000 9.414224\nLi Mn Cr O\n6 6 2 16\ndirect\n0.350956 0.174180 0.445704 Li\n0.825820 0.649044 0.445704 Li\n0.834868 0.165132 0.447574 Li\n0.165132 0.834868 0.947574 Li\n0.174180 0.350956 0.945704 Li\n0.649044 0.825820 0.945704 Li\n0.338946 0.166637 0.714044 Mn\n0.833363 0.661054 0.714044 Mn\n0.832799 0.167201 0.714051 Mn\n0.167201 0.832799 0.214051 Mn\n0.166637 0.338946 0.214044 Mn\n0.661054 0.833363 0.214044 Mn\n0.664559 0.335441 0.989097 Cr\n0.335441 0.664559 0.489097 Cr\n0.317574 0.161689 0.094015 O\n0.515908 0.484092 0.840007 O\n0.668497 0.331503 0.601372 O\n0.000972 0.999028 0.823712 O\n0.999028 0.000972 0.323712 O\n0.838311 0.682426 0.094015 O\n0.516628 0.031620 0.841622 O\n0.968380 0.483372 0.841622 O\n0.836766 0.163234 0.095603 O\n0.163234 0.836766 0.595603 O\n0.031620 0.516628 0.341622 O\n0.331503 0.668497 0.101372 O\n0.483372 0.968380 0.341622 O\n0.161689 0.317574 0.594015 O\n0.484092 0.515908 0.340007 O\n0.682426 0.838311 0.594015 O\n",
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],
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"density": 4.605735903042376,
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"volume": 263.645294892512,
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"formula_full": "Li6 Mn6 Cr2 O16",
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"formula_anonymous": "AB3C3D8",
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"spacegroup": 36
},
{
"id": "mp-1225940",
"created_at": "2022-09-04T14:39:07.083417Z",
"structure_string": "K60 Ga18 As38\n1.0\n0.000712 0.000314 15.835991\n-8.480010 14.686088 -5.278755\n-8.479207 -14.685834 -5.279346\nK Ga As\n60 18 38\ndirect\n0.586319 0.116887 0.393131 K\n0.253391 0.116589 0.393493 K\n0.920596 0.116916 0.393122 K\n0.803727 0.276261 0.883157 K\n0.469419 0.276278 0.883152 K\n0.136829 0.276986 0.883481 K\n0.859941 0.606487 0.723080 K\n0.527635 0.606903 0.723825 K\n0.193267 0.606886 0.723794 K\n0.080350 0.883112 0.606870 K\n0.746066 0.883086 0.606880 K\n0.413275 0.883412 0.606505 K\n0.862942 0.723744 0.116849 K\n0.529835 0.723012 0.116521 K\n0.197253 0.723726 0.116852 K\n0.806724 0.393512 0.276922 K\n0.473404 0.393118 0.276209 K\n0.139033 0.393096 0.276178 K\n0.749885 0.333093 0.666624 K\n0.416721 0.333360 0.666856 K\n0.083296 0.333348 0.666573 K\n0.916780 0.666905 0.333373 K\n0.583370 0.666649 0.333424 K\n0.249950 0.666643 0.333149 K\n0.698356 0.008466 0.818650 K\n0.353194 0.008521 0.818716 K\n0.023974 0.009336 0.813142 K\n0.014722 0.803754 0.990645 K\n0.689805 0.810133 0.991493 K\n0.344655 0.810196 0.991456 K\n0.534458 0.181296 0.189836 K\n0.210997 0.186813 0.196182 K\n0.879664 0.181381 0.189897 K\n0.968306 0.991532 0.181344 K\n0.642698 0.990669 0.186871 K\n0.313475 0.991483 0.181289 K\n0.651940 0.196239 0.009344 K\n0.322009 0.189807 0.008541 K\n0.976864 0.189870 0.008510 K\n0.132212 0.818703 0.810165 K\n0.787003 0.818623 0.810102 K\n0.455661 0.813176 0.803806 K\n0.975104 0.064557 0.610900 K\n0.308659 0.064460 0.611861 K\n0.642196 0.064388 0.611796 K\n0.244223 0.547408 0.935555 K\n0.577845 0.547382 0.935614 K\n0.910578 0.546249 0.935463 K\n0.030370 0.388103 0.452497 K\n0.364166 0.389002 0.453568 K\n0.696712 0.388019 0.452478 K\n0.358011 0.935541 0.388138 K\n0.691569 0.935447 0.389101 K\n0.024464 0.935610 0.388203 K\n0.088820 0.452619 0.064387 K\n0.422444 0.452589 0.064443 K\n0.756092 0.453749 0.064538 K\n0.302498 0.610994 0.546435 K\n0.636293 0.611896 0.547499 K\n0.969960 0.611981 0.547523 K\n0.767609 0.775176 0.280442 Ga\n0.435893 0.774781 0.280244 Ga\n0.101622 0.775397 0.279309 Ga\n0.661126 0.505561 0.225253 Ga\n0.326211 0.503989 0.224646 Ga\n0.992444 0.505292 0.224819 Ga\n0.822249 0.720661 0.496022 Ga\n0.487175 0.719530 0.494715 Ga\n0.155606 0.719722 0.494474 Ga\n0.899056 0.224823 0.719556 Ga\n0.565046 0.224604 0.720693 Ga\n0.230774 0.225219 0.719756 Ga\n0.005540 0.494439 0.774747 Ga\n0.674222 0.494708 0.775179 Ga\n0.340456 0.496011 0.775354 Ga\n0.844418 0.279340 0.503980 Ga\n0.511063 0.280279 0.505527 Ga\n0.179492 0.280470 0.505285 Ga\n0.785477 0.882716 0.228047 As\n0.454846 0.882450 0.227944 As\n0.120029 0.883437 0.226635 As\n0.572321 0.345595 0.117584 As\n0.236522 0.343278 0.116663 As\n0.902744 0.345325 0.117323 As\n0.893357 0.773334 0.656757 As\n0.557451 0.771921 0.654679 As\n0.226830 0.772044 0.654469 As\n0.881189 0.117286 0.771954 As\n0.546639 0.116566 0.773366 As\n0.211820 0.117547 0.772055 As\n0.094346 0.654402 0.882414 As\n0.763923 0.654676 0.882678 As\n0.430143 0.656723 0.883338 As\n0.773308 0.226666 0.343243 As\n0.439835 0.227957 0.345530 As\n0.109214 0.228078 0.345320 As\n0.844087 0.835072 0.446671 As\n0.510099 0.834606 0.446227 As\n0.177001 0.835097 0.445742 As\n0.675493 0.611629 0.165310 As\n0.341949 0.610680 0.164887 As\n0.009049 0.611625 0.164923 As\n0.731157 0.554254 0.389344 As\n0.397327 0.553333 0.388394 As\n0.063787 0.553765 0.388395 As\n0.822580 0.164927 0.553330 As\n0.489666 0.164903 0.554257 As\n0.156568 0.165394 0.553772 As\n0.991174 0.388369 0.834688 As\n0.657618 0.388376 0.835077 As\n0.324717 0.389320 0.835113 As\n0.935509 0.445746 0.610658 As\n0.602878 0.446234 0.611602 As\n0.269338 0.446666 0.611605 As\n0.833334 0.000005 -0.000000 As\n0.333331 0.000002 -0.000001 As\n",
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"density": 2.7147406310125035,
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"volume": 3944.039511877114,
"volume_molar": 20.475483709935926,
"formula_full": "K60 Ga18 As38",
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"spacegroup": 148
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{
"id": "mp-1014231",
"created_at": "2022-09-04T14:39:07.701891Z",
"structure_string": "Hf2 Zn1\n1.0\n-1.627430 1.627430 5.631676\n1.627430 -1.627430 5.631676\n1.627430 1.627430 -5.631676\nHf Zn\n2 1\ndirect\n0.659030 0.659030 0.000000 Hf\n0.340970 0.340970 0.000000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 3,
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{
"id": "mp-1105660",
"created_at": "2022-09-04T14:39:06.950515Z",
"structure_string": "U4 Ru4 S12\n1.0\n5.918495 0.000000 0.000000\n0.000000 6.931178 0.000000\n0.000000 0.000000 8.708518\nU Ru S\n4 4 12\ndirect\n0.429118 0.876460 0.250000 U\n0.070882 0.376460 0.250000 U\n0.570882 0.123540 0.750000 U\n0.929118 0.623540 0.750000 U\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.661289 0.550698 0.250000 S\n0.838711 0.050698 0.250000 S\n0.338711 0.449302 0.750000 S\n0.161289 0.949302 0.750000 S\n0.650365 0.818398 0.557809 S\n0.849635 0.318398 0.942191 S\n0.349635 0.181602 0.057809 S\n0.150365 0.681602 0.442191 S\n0.349635 0.181602 0.442191 S\n0.150365 0.681602 0.057809 S\n0.650365 0.818398 0.942191 S\n0.849635 0.318398 0.557809 S\n",
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{
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{
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}