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{
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"results": [
{
"id": "mp-1297753",
"created_at": "2022-09-04T14:40:04.723732Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n0.014962 -3.494907 4.951546\n6.038914 -0.024193 0.001531\n-0.026887 6.987926 4.950661\nLi V Sn O\n4 6 2 16\ndirect\n0.997811 0.246124 0.121524 Li\n0.502529 0.740264 0.622833 Li\n0.998957 0.994861 0.501509 Li\n0.501482 0.502025 0.996702 Li\n0.996747 0.512957 0.495548 V\n0.496207 0.021877 0.991455 V\n0.263379 0.251636 0.754263 V\n0.227962 0.755203 0.259104 V\n0.741046 0.253205 0.755398 V\n0.754886 0.749683 0.256801 V\n0.999527 0.763512 0.882257 Sn\n0.497454 0.264588 0.380847 Sn\n0.009974 0.520419 0.253679 O\n0.503787 0.008248 0.766035 O\n0.001940 0.490710 0.746168 O\n0.491916 0.990488 0.241605 O\n0.240472 0.731804 0.475696 O\n0.731413 0.224606 0.986765 O\n0.766676 0.737383 0.482104 O\n0.271732 0.220705 0.990589 O\n0.011728 0.963971 0.245581 O\n0.499099 0.465956 0.752201 O\n0.003518 0.027670 0.744932 O\n0.494674 0.530024 0.241989 O\n0.228668 0.255522 0.514027 O\n0.726335 0.762964 0.014438 O\n0.769651 0.256224 0.510598 O\n0.270431 0.757371 0.015355 O\n",
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"spacegroup": 1
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{
"id": "mp-1177585",
"created_at": "2022-09-04T14:40:04.723548Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.559077 0.000000 0.000000\n0.065752 8.840861 0.000000\n0.533624 0.030229 12.374199\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.007593 0.998397 0.001324 Li\n0.987444 0.109756 0.246816 Li\n0.001679 0.996574 0.505752 Li\n0.025096 0.893352 0.742372 Li\n0.281685 0.811446 0.047217 Li\n0.272373 0.191545 0.561986 Li\n0.510239 0.515400 0.003424 Li\n0.505146 0.404933 0.264990 Li\n0.509262 0.493769 0.503051 Li\n0.502730 0.597307 0.757217 Li\n0.710877 0.799436 0.443790 Li\n0.736959 0.192368 0.937367 Li\n0.288532 0.005708 0.854969 Mn\n0.714790 0.997643 0.643188 Mn\n0.792032 0.499628 0.354285 Mn\n0.790831 0.498203 0.854374 Mn\n0.211096 0.500631 0.144576 V\n0.216335 0.499400 0.643935 V\n0.284787 0.997523 0.355299 V\n0.714882 0.002782 0.141650 V\n0.997218 0.804591 0.250111 P\n0.009587 0.195750 0.748690 P\n0.164912 0.354572 0.395799 P\n0.155013 0.643624 0.892923 P\n0.345558 0.147257 0.105907 P\n0.346108 0.846792 0.596671 P\n0.495197 0.710794 0.247548 P\n0.508543 0.290510 0.747914 P\n0.648518 0.141255 0.397977 P\n0.643532 0.858896 0.897150 P\n0.837930 0.359723 0.105059 P\n0.839275 0.642460 0.609573 P\n0.002375 0.421987 0.114456 O\n0.005878 0.581906 0.609837 O\n0.071678 0.919420 0.331232 O\n0.082754 0.091804 0.838618 O\n0.121034 0.704246 0.191088 O\n0.134515 0.296443 0.691589 O\n0.162250 0.175315 0.412605 O\n0.140820 0.820884 0.903904 O\n0.260266 0.403623 0.293155 O\n0.249319 0.050473 0.028716 O\n0.258299 0.405451 0.494598 O\n0.252578 0.595670 0.790346 O\n0.248888 0.930058 0.507950 O\n0.272322 0.105400 0.220148 O\n0.249386 0.592766 0.991534 O\n0.263586 0.900402 0.702886 O\n0.331216 0.319587 0.085070 O\n0.337690 0.672576 0.581228 O\n0.365046 0.814224 0.302251 O\n0.387442 0.194627 0.810401 O\n0.425412 0.604661 0.161130 O\n0.437448 0.402086 0.664718 O\n0.477390 0.080198 0.402060 O\n0.466541 0.901579 0.906318 O\n0.521684 0.111120 0.098793 O\n0.519468 0.885937 0.586741 O\n0.558869 0.613284 0.339238 O\n0.581054 0.393793 0.835902 O\n0.613294 0.811256 0.187457 O\n0.627332 0.192467 0.682645 O\n0.632543 0.313095 0.412589 O\n0.642536 0.686535 0.915053 O\n0.734824 0.097073 0.289598 O\n0.749760 0.413959 0.002991 O\n0.721407 0.908571 0.787907 O\n0.746006 0.055815 0.483947 O\n0.730985 0.402117 0.202743 O\n0.738808 0.592322 0.515871 O\n0.739604 0.948094 0.980703 O\n0.747125 0.597703 0.715839 O\n0.857397 0.183283 0.089192 O\n0.855491 0.821115 0.597940 O\n0.870721 0.723062 0.316843 O\n0.878598 0.279613 0.811309 O\n0.932694 0.912336 0.160436 O\n0.954471 0.084491 0.661714 O\n0.996446 0.402655 0.394314 O\n0.988990 0.582891 0.891494 O\n",
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"density_atomic": 0.08543806327001477,
"volume": 936.3508129529042,
"volume_molar": 7.0485454954285265,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
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"energy": -607.06141501,
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"spacegroup": 1
},
{
"id": "mp-1217148",
"created_at": "2022-09-04T14:40:04.920089Z",
"structure_string": "Ti3 V1 S6\n1.0\n6.024362 -2.946973 0.000000\n6.024362 2.946973 0.000000\n4.582774 0.000000 4.896506\nTi V S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.332143 0.332143 0.332143 Ti\n0.667857 0.667857 0.667857 Ti\n0.500000 0.500000 0.500000 V\n0.914299 0.582732 0.248362 S\n0.582732 0.248362 0.914299 S\n0.248362 0.914299 0.582732 S\n0.751638 0.085701 0.417268 S\n0.417268 0.751638 0.085701 S\n0.085701 0.417268 0.751638 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "S-Ti-V",
"density": 3.6955646382855556,
"density_atomic": 0.05751703578046565,
"volume": 173.8615327495071,
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"formula_full": "Ti3 V1 S6",
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"energy": -73.68629407,
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"spacegroup": 148
},
{
"id": "mp-600057",
"created_at": "2022-09-04T14:40:04.677731Z",
"structure_string": "Si24 O48\n1.0\n-5.162771 6.333532 10.943940\n5.162771 -6.333532 10.943940\n5.162771 6.333532 -10.943940\nSi O\n24 48\ndirect\n0.482605 0.332789 0.592894 Si\n0.517395 0.110289 0.850184 Si\n0.760104 0.667211 0.649816 Si\n0.239896 0.889711 0.907106 Si\n0.517395 0.667211 0.407106 Si\n0.482605 0.889711 0.149816 Si\n0.239896 0.332789 0.350184 Si\n0.760104 0.110289 0.092894 Si\n0.215489 0.656879 0.558611 Si\n0.784511 0.343121 0.441389 Si\n0.401732 0.343121 0.058611 Si\n0.598268 0.656879 0.941389 Si\n0.668191 0.792995 0.875196 Si\n0.331809 0.207005 0.124804 Si\n0.582201 0.207005 0.375196 Si\n0.417799 0.792995 0.624804 Si\n0.307845 0.433065 0.874780 Si\n0.692155 0.566935 0.125220 Si\n0.941715 0.566935 0.374780 Si\n0.058285 0.433065 0.625220 Si\n0.000000 0.718362 0.718362 Si\n0.500000 0.281638 0.781638 Si\n0.000000 0.281638 0.281638 Si\n0.500000 0.718362 0.218362 Si\n0.503508 0.245471 0.641488 O\n0.496492 0.137980 0.741963 O\n0.896016 0.754529 0.758037 O\n0.103984 0.862020 0.858512 O\n0.496492 0.754529 0.358512 O\n0.503508 0.862020 0.258037 O\n0.103984 0.245471 0.241963 O\n0.896016 0.137980 0.141488 O\n0.511281 0.504381 0.752278 O\n0.488719 0.240997 0.993100 O\n0.747897 0.495619 0.506900 O\n0.252103 0.759003 0.747722 O\n0.488719 0.495619 0.247722 O\n0.511281 0.759003 0.006900 O\n0.252103 0.504381 0.493100 O\n0.747897 0.240997 0.252278 O\n0.573239 0.297656 0.534415 O\n0.426761 0.961176 0.724417 O\n0.736759 0.702344 0.775583 O\n0.263241 0.038824 0.965585 O\n0.426761 0.702344 0.465585 O\n0.573239 0.038824 0.275583 O\n0.263241 0.297656 0.224417 O\n0.736759 0.961176 0.034415 O\n0.341143 0.281819 0.440677 O\n0.658857 0.099534 0.940677 O\n0.658857 0.718181 0.559323 O\n0.341143 0.900466 0.059323 O\n0.069354 0.632035 0.437319 O\n0.930646 0.367965 0.562681 O\n0.305284 0.367965 0.937319 O\n0.694716 0.632035 0.062681 O\n0.286211 0.730875 0.555335 O\n0.713789 0.269125 0.444665 O\n0.324460 0.269125 0.055335 O\n0.675540 0.730875 0.944665 O\n0.525274 0.775274 0.750000 O\n0.474726 0.224726 0.250000 O\n0.377620 0.601153 0.033504 O\n0.622380 0.655884 0.223533 O\n0.932351 0.398847 0.276467 O\n0.067649 0.344116 0.466496 O\n0.622380 0.398847 0.966496 O\n0.377620 0.344116 0.776467 O\n0.067649 0.601153 0.723533 O\n0.932351 0.655884 0.533504 O\n0.168689 0.418689 0.750000 O\n0.831311 0.581311 0.250000 O\n",
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{
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{
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"structure_string": "Pr6 Cu2 Sn2 S14\n1.0\n5.113822 -8.857400 0.000000\n5.113822 8.857400 0.000000\n0.000000 0.000000 6.141731\nPr Cu Sn S\n6 2 2 14\ndirect\n0.781924 0.642622 0.264819 Pr\n0.860698 0.218076 0.264819 Pr\n0.139302 0.781924 0.764819 Pr\n0.357378 0.139302 0.264819 Pr\n0.642622 0.860698 0.764819 Pr\n0.218076 0.357378 0.764819 Pr\n0.000000 0.000000 0.710517 Cu\n0.000000 0.000000 0.210517 Cu\n0.666667 0.333333 0.836600 Sn\n0.333333 0.666667 0.336600 Sn\n0.101146 0.847527 0.225203 S\n0.570821 0.088337 0.006695 S\n0.482485 0.570821 0.506695 S\n0.666667 0.333333 0.448934 S\n0.847527 0.746381 0.725203 S\n0.911663 0.482485 0.006695 S\n0.253619 0.101146 0.725203 S\n0.746381 0.898854 0.225203 S\n0.898854 0.152473 0.725203 S\n0.333333 0.666667 0.948934 S\n0.152473 0.253619 0.225203 S\n0.088337 0.517515 0.506695 S\n0.429179 0.911663 0.506695 S\n0.517515 0.429179 0.006695 S\n",
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{
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"created_at": "2022-09-04T14:40:04.686832Z",
"structure_string": "Ca1 Cu1 P4 Ru2 O14\n1.0\n5.114312 -0.096221 0.213892\n-2.066152 -6.509268 0.296750\n-0.058189 0.177544 -8.582500\nCa Cu P Ru O\n1 1 4 2 14\ndirect\n0.442739 0.231410 0.825788 Ca\n0.970814 0.013602 0.465405 Cu\n0.405401 0.754122 0.806964 P\n0.616531 0.241772 0.204998 P\n0.005211 0.650988 0.271453 P\n0.985317 0.354721 0.715218 P\n0.496679 0.512081 0.493492 Ru\n0.994576 0.992183 0.010077 Ru\n0.123855 0.818967 0.165315 O\n0.877250 0.184543 0.825449 O\n0.479832 0.763732 0.636426 O\n0.528754 0.251353 0.372689 O\n0.220436 0.516007 0.827329 O\n0.786257 0.470093 0.163366 O\n0.216438 0.891555 0.832775 O\n0.798372 0.099498 0.189136 O\n0.217776 0.557063 0.335447 O\n0.759082 0.445358 0.667674 O\n0.633137 0.775232 0.931685 O\n0.377601 0.203522 0.078812 O\n0.147718 0.279351 0.586101 O\n0.832889 0.724327 0.399089 O\n",
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{
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