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{
"count": 55712,
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"results": [
{
"id": "jvasp-116612",
"created_at": "2022-09-04T14:38:43.507727Z",
"updated_at": "2022-09-04T14:38:43.507747Z",
"structure_string": "Lu4 Al18 Ir6\n1.0\n7.503671 0.001573 0.000000\n-3.706027 6.524603 0.000000\n0.000000 -0.000000 9.420392\nLu Al Ir\n4 18 6\ndirect\n0.995775 0.672120 0.250000 Lu\n0.004224 0.327879 0.750000 Lu\n0.672120 0.995775 0.250000 Lu\n0.327879 0.004224 0.750000 Lu\n0.450389 0.660658 0.750000 Al\n0.549610 0.339341 0.250000 Al\n0.660658 0.450389 0.750000 Al\n0.339341 0.549610 0.250000 Al\n0.332814 0.332814 0.942969 Al\n0.667185 0.667185 0.057031 Al\n0.667185 0.667185 0.442969 Al\n0.332814 0.332814 0.557030 Al\n0.335369 0.000474 0.075787 Al\n0.664630 0.999525 0.575787 Al\n0.000474 0.335369 0.424213 Al\n0.335369 0.000474 0.424213 Al\n0.999525 0.664630 0.575787 Al\n0.999525 0.664630 0.924213 Al\n0.000474 0.335369 0.075787 Al\n0.871364 0.871364 0.750000 Al\n0.128635 0.128635 0.250000 Al\n0.664630 0.999525 0.924213 Al\n0.000000 0.000000 0.000000 Ir\n0.672275 0.327724 -0.000000 Ir\n0.327724 0.672275 -0.000000 Ir\n0.327724 0.672275 0.500000 Ir\n0.672275 0.327724 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
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"elements": [
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],
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"volume": 461.2629367270793,
"volume_molar": 9.920679758362306,
"formula_full": "Lu4 Al18 Ir6",
"formula_reduced": "Lu2(Al3Ir)3",
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{
"id": "jvasp-118972",
"created_at": "2022-09-04T14:38:31.261489Z",
"updated_at": "2022-09-04T14:38:31.261504Z",
"structure_string": "Yb3 Ga9 Pt2\n1.0\n7.800847 0.025777 -2.375024\n-0.827795 4.040302 -7.034581\n-0.002042 -0.025777 8.154382\nYb Ga Pt\n3 9 2\ndirect\n0.500001 0.500000 0.000000 Yb\n0.195841 0.195841 0.000000 Yb\n0.804160 0.804159 0.000001 Yb\n0.643490 0.363157 0.280333 Ga\n0.356511 0.636842 0.719667 Ga\n0.082824 0.363156 0.719667 Ga\n0.917178 0.636843 0.280334 Ga\n0.529034 0.159624 0.369410 Ga\n0.470967 0.840376 0.630590 Ga\n0.790214 0.159624 0.630590 Ga\n0.209787 0.840376 0.369410 Ga\n0.000000 0.499999 0.500000 Ga\n0.190937 -0.000000 0.190937 Pt\n0.809063 -0.000000 0.809063 Pt\n",
"nsites": 14,
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"elements": [
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],
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"density": 9.980181614958962,
"density_atomic": 0.05475218355277299,
"volume": 255.69756476481115,
"volume_molar": 10.998905192877922,
"formula_full": "Yb3 Ga9 Pt2",
"formula_reduced": "Yb3Ga9Pt2",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-59088",
"created_at": "2022-09-04T14:38:36.927894Z",
"updated_at": "2022-09-04T14:38:36.927915Z",
"structure_string": "Rb6 Os4 Br18\n1.0\n3.702485 -6.412892 -0.000000\n3.702485 6.412892 0.000000\n-0.000000 -0.000000 17.878576\nRb Os Br\n6 4 18\ndirect\n0.333332 0.666666 0.430482 Rb\n0.666666 0.333332 0.930483 Rb\n0.666666 0.333332 0.569518 Rb\n0.333332 0.666666 0.069518 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666666 0.333332 0.325879 Os\n0.333332 0.666666 0.825880 Os\n0.666666 0.333332 0.174121 Os\n0.333332 0.666666 0.674121 Os\n0.652997 0.826497 0.592142 Br\n0.173501 0.826498 0.592142 Br\n0.826497 0.652997 0.407859 Br\n0.347002 0.173501 0.407859 Br\n0.652997 0.826497 0.907859 Br\n0.173501 0.347002 0.907859 Br\n0.826498 0.173501 0.407859 Br\n0.347002 0.173501 0.092141 Br\n-0.006462 0.496769 0.750000 Br\n0.826497 0.652997 0.092141 Br\n0.496769 0.503230 0.250000 Br\n0.503230 0.006462 0.750000 Br\n0.173501 0.347002 0.592142 Br\n0.006462 0.503230 0.250000 Br\n0.496769 -0.006462 0.250000 Br\n0.503230 0.496769 0.750000 Br\n0.826498 0.173501 0.092141 Br\n0.173501 0.826498 0.907859 Br\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Br-Os-Rb",
"density": 5.304304363514602,
"density_atomic": 0.032979789320561996,
"volume": 849.0048170969596,
"volume_molar": 18.26009469455695,
"formula_full": "Rb6 Os4 Br18",
"formula_reduced": "Rb3Os2Br9",
"formula_anonymous": "A2B3C9",
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"spacegroup": 194
},
{
"id": "jvasp-119069",
"created_at": "2022-09-04T14:38:50.591237Z",
"updated_at": "2022-09-04T14:38:50.591269Z",
"structure_string": "Tm4 Al18 Ir6\n1.0\n7.515828 0.007054 0.000000\n-3.716026 6.532907 0.000000\n0.000000 0.000000 9.449412\nTm Al Ir\n4 18 6\ndirect\n0.995702 0.671777 0.250000 Tm\n0.004298 0.328223 0.750000 Tm\n0.671777 0.995702 0.250000 Tm\n0.328223 0.004298 0.750000 Tm\n0.450892 0.660739 0.750000 Al\n0.549108 0.339261 0.250000 Al\n0.660739 0.450892 0.750000 Al\n0.339261 0.549108 0.250000 Al\n0.333047 0.333047 0.943939 Al\n0.666952 0.666952 0.056061 Al\n0.666952 0.666952 0.443939 Al\n0.333047 0.333047 0.556061 Al\n0.335303 0.000717 0.075243 Al\n0.664696 0.999283 0.575243 Al\n0.000717 0.335304 0.424757 Al\n0.335303 0.000717 0.424757 Al\n0.999283 0.664696 0.575243 Al\n0.999283 0.664696 0.924757 Al\n0.000717 0.335304 0.075243 Al\n0.871217 0.871217 0.750000 Al\n0.128783 0.128783 0.250000 Al\n0.664696 0.999283 0.924757 Al\n0.000000 0.000000 0.000000 Ir\n0.672089 0.327910 -0.000000 Ir\n0.327910 0.672090 -0.000000 Ir\n0.327910 0.672090 0.500000 Ir\n0.672089 0.327910 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
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"elements": [
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"Al",
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],
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"density_atomic": 0.060316779549200006,
"volume": 464.2157656504287,
"volume_molar": 9.984188156278766,
"formula_full": "Tm4 Al18 Ir6",
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"formula_anonymous": "A2B3C9",
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},
{
"id": "jvasp-30150",
"created_at": "2022-09-04T14:36:47.440319Z",
"updated_at": "2022-09-04T14:36:47.440341Z",
"structure_string": "Ti6 V4 O18\n1.0\n10.091183 2.560396 -2.789716\n-10.091183 2.560396 2.789716\n-0.200777 0.000000 6.874056\nTi V O\n6 4 18\ndirect\n-0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.893877 0.257475 0.433650 Ti\n0.257475 0.893877 0.066350 Ti\n0.106124 0.742526 0.566351 Ti\n0.742526 0.106125 0.933650 Ti\n0.390910 0.516046 0.081137 V\n0.516046 0.390910 0.418864 V\n0.483956 0.609090 0.581137 V\n0.609090 0.483956 0.918864 V\n0.329502 0.385685 0.864618 O\n0.206402 0.773119 0.348894 O\n0.773119 0.206402 0.151106 O\n0.793600 0.226882 0.651107 O\n0.226882 0.793600 0.848894 O\n0.670499 0.614317 0.135383 O\n0.614317 0.670499 0.364617 O\n0.385685 0.329503 0.635383 O\n0.986155 0.188442 0.995590 O\n0.743265 0.456757 0.523426 O\n0.543245 0.256736 0.023426 O\n0.256736 0.543245 0.476574 O\n0.812617 0.812617 0.750000 O\n0.188442 0.986155 0.504411 O\n0.013847 0.811560 0.004411 O\n0.811559 0.013847 0.495589 O\n0.456757 0.743266 0.976574 O\n0.187385 0.187385 0.250000 O\n",
"nsites": 28,
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],
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"density_atomic": 0.07946698178540196,
"volume": 352.3475960822711,
"volume_molar": 7.578167214482362,
"formula_full": "Ti6 V4 O18",
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"formula_anonymous": "A2B3C9",
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"spacegroup": 15
},
{
"id": "jvasp-98613",
"created_at": "2022-09-04T14:36:12.326818Z",
"updated_at": "2022-09-04T14:36:12.326838Z",
"structure_string": "Rb6 V4 Br18\n1.0\n7.357935 -0.000000 -0.000000\n-3.678968 6.372159 0.000000\n0.000000 0.000000 18.323450\nRb V Br\n6 4 18\ndirect\n0.666667 0.333333 0.572531 Rb\n0.333333 0.666667 0.072531 Rb\n0.333333 0.666667 0.427469 Rb\n0.666667 0.333333 0.927469 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.161329 V\n0.333333 0.666667 0.838671 V\n0.333333 0.666667 0.661329 V\n0.666667 0.333333 0.338671 V\n0.169837 0.339675 0.587908 Br\n0.990814 0.495407 0.250000 Br\n0.339675 0.169837 0.087908 Br\n0.169837 0.830163 0.912092 Br\n0.495407 0.504594 0.750000 Br\n0.504594 0.495407 0.250000 Br\n0.495407 0.990813 0.750000 Br\n0.830163 0.660325 0.087908 Br\n0.830163 0.169837 0.412092 Br\n0.009187 0.504594 0.750000 Br\n0.169837 0.339675 0.912092 Br\n0.339675 0.169837 0.412092 Br\n0.504594 0.009187 0.250000 Br\n0.660325 0.830163 0.587908 Br\n0.169837 0.830163 0.587908 Br\n0.830163 0.660325 0.412092 Br\n0.660325 0.830163 0.912092 Br\n0.830163 0.169837 0.087908 Br\n",
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{
"id": "jvasp-25791",
"created_at": "2022-09-04T14:37:39.003336Z",
"updated_at": "2022-09-04T14:37:39.003370Z",
"structure_string": "Tl3 Ga9 S13 O2\n1.0\n4.831569 -8.368524 0.000000\n4.831569 8.368524 -0.000000\n-0.000000 -0.000000 7.446703\nTl Ga S O\n3 9 13 2\ndirect\n0.333333 0.666667 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.806272 0.560234 0.265536 Ga\n0.072007 0.454335 0.000000 Ga\n0.753962 0.193728 0.734463 Ga\n0.382328 0.927993 0.000000 Ga\n0.753962 0.193728 0.265536 Ga\n0.439766 0.246038 0.734463 Ga\n0.545665 0.617672 0.000000 Ga\n0.439766 0.246038 0.265536 Ga\n0.806272 0.560234 0.734463 Ga\n0.683935 0.707667 0.742329 S\n0.333333 0.666667 0.000000 S\n0.023731 0.316065 0.742329 S\n0.958165 0.618878 0.000000 S\n0.023731 0.316065 0.257671 S\n0.292333 0.976269 0.742329 S\n0.662965 0.022456 0.500000 S\n0.660713 0.041835 0.000000 S\n0.683935 0.707667 0.257671 S\n0.359491 0.337035 0.500000 S\n0.381122 0.339287 0.000000 S\n0.292333 0.976269 0.257671 S\n0.977544 0.640509 0.500000 S\n0.666667 0.333333 0.737069 O\n0.666667 0.333333 0.262930 O\n",
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"elements": [
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],
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"formula_full": "Tl3 Ga9 S13 O2",
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{
"id": "jvasp-87317",
"created_at": "2022-09-04T14:36:16.487887Z",
"updated_at": "2022-09-04T14:36:16.487909Z",
"structure_string": "Cr4 H48 I6 N18\n1.0\n7.606984 0.000000 0.000000\n-3.803492 6.587918 0.000000\n0.000000 -0.000000 17.362185\nCr H I N\n4 48 6 18\ndirect\n0.333336 0.666671 0.329197 Cr\n0.666664 0.333329 0.670803 Cr\n0.666664 0.333329 0.829197 Cr\n0.333336 0.666671 0.170803 Cr\n0.682287 0.731359 0.390105 H\n0.049071 0.731359 0.390105 H\n0.682269 0.950934 0.390111 H\n0.268658 0.317728 0.390107 H\n0.731334 0.049066 0.609889 H\n0.950930 0.682273 0.609893 H\n0.317712 0.268642 0.609895 H\n0.317731 0.049066 0.609889 H\n0.731342 0.682273 0.609893 H\n0.731334 0.049066 0.890111 H\n0.317712 0.268642 0.890105 H\n0.049069 0.317728 0.390107 H\n0.950929 0.268642 0.890105 H\n0.317731 0.049066 0.890111 H\n0.731342 0.682273 0.890108 H\n0.268665 0.950934 0.109889 H\n0.049069 0.317728 0.109893 H\n0.682287 0.731359 0.109895 H\n0.049071 0.731359 0.109895 H\n0.682269 0.950934 0.109889 H\n0.268658 0.317728 0.109893 H\n0.950930 0.682273 0.890108 H\n0.268665 0.950934 0.390111 H\n0.950929 0.268642 0.609895 H\n0.221047 0.442093 0.041200 H\n0.557912 0.778947 0.041201 H\n0.603003 0.986919 0.250000 H\n0.013074 0.616084 0.250000 H\n0.603010 0.616084 0.250000 H\n0.013074 0.396996 0.250000 H\n0.383916 0.986919 0.250000 H\n0.616078 0.603004 0.750000 H\n0.396997 0.013081 0.750000 H\n0.986926 0.383916 0.750000 H\n0.396990 0.383916 0.750000 H\n0.986925 0.603004 0.750000 H\n0.383922 0.396996 0.250000 H\n0.221034 0.778947 0.458800 H\n0.221047 0.442093 0.458800 H\n0.616084 0.013081 0.750000 H\n0.557912 0.778947 0.458800 H\n0.778965 0.221054 0.541201 H\n0.778953 0.557907 0.541200 H\n0.442088 0.221054 0.541201 H\n0.778965 0.221054 0.958800 H\n0.778953 0.557907 0.958800 H\n0.442088 0.221054 0.958800 H\n0.221034 0.778947 0.041201 H\n0.333335 0.666670 0.594314 I\n0.666665 0.333331 0.405686 I\n0.666665 0.333331 0.094314 I\n-0.000002 -0.000005 0.750000 I\n0.000002 0.000005 0.250000 I\n0.333335 0.666670 0.905686 I\n0.797781 0.202219 0.598989 N\n0.202218 0.797781 0.098989 N\n0.404437 0.202219 0.901011 N\n0.797778 0.595557 0.901011 N\n0.797781 0.202219 0.901011 N\n0.404437 0.202219 0.598989 N\n0.797778 0.595557 0.598989 N\n0.595563 0.797781 0.401011 N\n0.447620 0.552386 0.250000 N\n0.202218 0.797781 0.401011 N\n0.895234 0.447614 0.750000 N\n0.552385 0.104771 0.750000 N\n0.552380 0.447614 0.750000 N\n0.104766 0.552386 0.250000 N\n0.447615 0.895230 0.250000 N\n0.202222 0.404443 0.098989 N\n0.202222 0.404443 0.401011 N\n0.595563 0.797781 0.098989 N\n",
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"volume_molar": 6.894493670298765,
"formula_full": "Cr4 H48 I6 N18",
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{
"id": "jvasp-117219",
"created_at": "2022-09-04T14:38:51.663320Z",
"updated_at": "2022-09-04T14:38:51.663341Z",
"structure_string": "Cu10 Hg2 Sb4 S13\n1.0\n8.562090 -0.036608 -3.250546\n-4.087816 7.523330 -3.250546\n0.021878 0.036608 9.158327\nCu Hg Sb S\n10 2 4 13\ndirect\n0.230980 0.500000 0.730980 Cu\n0.500000 0.230980 0.730980 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.769020 0.269020 Cu\n0.769020 0.500000 0.269020 Cu\n0.750000 0.250000 0.500000 Cu\n0.221519 0.000000 0.221519 Cu\n-0.000000 0.778481 0.778481 Cu\n0.778481 0.000000 0.778481 Cu\n-0.000000 0.221519 0.221519 Cu\n0.758764 0.758765 -0.000001 Hg\n0.241235 0.241235 -0.000000 Hg\n0.536149 0.536149 0.550886 Sb\n0.985263 0.985263 0.449112 Sb\n0.014736 0.463851 -0.000000 Sb\n0.463851 0.014737 -0.000000 Sb\n0.480965 0.227816 0.469991 S\n0.000000 0.000000 0.000000 S\n0.744149 0.476368 -0.000001 S\n0.242176 0.772184 0.253149 S\n0.989026 0.519035 0.746850 S\n0.476367 0.744149 -0.000001 S\n0.519034 0.989026 0.746850 S\n0.772183 0.242176 0.253149 S\n0.255851 0.255851 0.732218 S\n0.757824 0.010974 0.530008 S\n0.010974 0.757824 0.530008 S\n0.523632 0.523632 0.267781 S\n0.227816 0.480965 0.469991 S\n",
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{
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