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"results": [
{
"id": "jvasp-88310",
"created_at": "2022-09-04T14:35:42.816278Z",
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"structure_string": "Li16 H8 N8\n1.0\n-3.529383 4.993738 3.518188\n3.529383 -4.993738 3.518188\n3.529383 4.993738 -3.518188\nLi H N\n16 8 8\ndirect\n0.987740 0.120266 0.367474 Li\n0.717957 0.595280 0.108195 Li\n0.487085 0.095279 0.377323 Li\n0.717957 0.109761 0.622677 Li\n0.253463 0.645288 0.622691 Li\n0.022597 0.630772 0.377308 Li\n0.253463 0.130772 0.108175 Li\n0.022597 0.145288 0.891825 Li\n0.487085 0.609761 0.891805 Li\n0.870312 0.870287 0.500025 Li\n0.476340 0.620289 0.356051 Li\n0.264238 0.120288 0.643949 Li\n0.247184 0.620282 0.126902 Li\n0.493380 0.120281 0.873098 Li\n0.752792 0.620265 0.632526 Li\n0.370262 0.370286 0.499975 Li\n0.064017 0.453675 0.777152 H\n0.676523 0.286864 0.222848 H\n0.064017 0.786864 0.110341 H\n0.676523 0.953675 0.889658 H\n0.959411 0.260898 0.198514 H\n0.781159 0.479646 0.801512 H\n0.678134 0.979646 0.198488 H\n0.062384 0.760897 0.801486 H\n0.129686 0.900803 0.289950 N\n0.600838 0.359749 0.741088 N\n0.618662 0.859750 0.258911 N\n0.121878 0.880804 0.741073 N\n0.139731 0.380804 0.258926 N\n0.129686 0.339735 0.728882 N\n0.610853 0.400804 0.271118 N\n0.610853 0.839735 0.710050 N\n",
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{
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"structure_string": "Fe2 H2 O4\n1.0\n1.415337 5.744120 -0.000000\n-1.415337 5.744120 -0.000000\n0.000000 -0.000000 3.813604\nFe H O\n2 2 4\ndirect\n0.322019 0.322019 0.250000 Fe\n0.677981 0.677981 0.749999 Fe\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.705803 0.705803 0.250000 O\n0.294197 0.294197 0.749999 O\n0.935029 0.935029 0.250000 O\n0.064971 0.064971 0.749999 O\n",
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},
{
"id": "jvasp-35960",
"created_at": "2022-09-04T14:37:14.179133Z",
"updated_at": "2022-09-04T14:37:14.179159Z",
"structure_string": "Hf1 B12\n1.0\n4.523895 0.000000 2.611872\n1.507965 4.265170 2.611872\n0.000000 0.000000 5.223744\nHf B\n1 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.839698 0.500000 0.499998 B\n0.500001 0.500000 0.839696 B\n0.839698 0.160303 0.499999 B\n0.500001 0.839697 0.160302 B\n0.500001 0.160303 0.839696 B\n0.500001 0.839697 0.499998 B\n0.839698 0.500000 0.160302 B\n0.160304 0.839697 0.499999 B\n0.500001 0.160303 0.499999 B\n0.160304 0.500000 0.839696 B\n0.500001 0.500000 0.160302 B\n0.160304 0.500000 0.499999 B\n",
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{
"id": "jvasp-103761",
"created_at": "2022-09-04T14:36:57.938653Z",
"updated_at": "2022-09-04T14:36:57.938680Z",
"structure_string": "H32 C20 O8\n1.0\n12.806539 0.000000 -1.137216\n0.000000 6.820761 0.000000\n0.103665 0.000000 5.317243\nH C O\n32 20 8\ndirect\n0.061106 0.912973 0.233362 H\n0.548723 0.294773 0.994386 H\n0.451277 0.705227 0.005613 H\n0.548723 0.205227 0.494387 H\n0.590403 0.484613 0.204032 H\n0.409598 0.515387 0.795966 H\n0.409598 0.984613 0.295967 H\n0.590403 0.015387 0.704032 H\n0.593767 0.502128 0.627176 H\n0.406233 0.497871 0.372823 H\n0.406233 0.002129 0.872822 H\n0.593767 0.997871 0.127176 H\n0.631191 0.696198 0.834382 H\n0.368810 0.303802 0.165616 H\n0.368810 0.196198 0.665616 H\n0.631190 0.803802 0.334383 H\n0.451277 0.794773 0.505612 H\n0.265301 0.710204 0.157934 H\n0.734700 0.289796 0.842065 H\n0.938895 0.087027 0.766636 H\n0.938895 0.412973 0.266637 H\n0.061106 0.587027 0.733362 H\n0.966970 0.784041 0.029654 H\n0.033031 0.215959 0.970345 H\n0.033031 0.284041 0.470345 H\n0.769391 0.015218 0.551135 H\n0.230610 0.984782 0.448863 H\n0.230610 0.515218 0.948863 H\n0.769391 0.484782 0.051136 H\n0.734699 0.210204 0.342066 H\n0.265301 0.789795 0.657933 H\n0.966970 0.715959 0.529653 H\n0.373683 0.035684 0.680682 C\n0.626318 0.964316 0.319317 C\n0.373683 0.464316 0.180682 C\n0.554664 0.455543 0.012975 C\n0.554664 0.044457 0.512974 C\n0.445336 0.955542 0.487025 C\n0.445336 0.544457 0.987024 C\n0.736340 0.451283 0.859872 C\n0.626318 0.535684 0.819317 C\n0.263660 0.548716 0.140127 C\n0.189691 0.473616 0.325199 C\n0.736340 0.048716 0.359872 C\n0.810309 0.526384 0.674800 C\n0.189692 0.026384 0.825198 C\n0.810309 0.973615 0.174801 C\n0.991290 0.572615 0.605163 C\n0.008711 0.427385 0.394836 C\n0.008711 0.072615 0.894836 C\n0.991289 0.927385 0.105163 C\n0.263660 0.951283 0.640127 C\n0.213830 0.099241 0.031268 O\n0.786170 0.900759 0.968731 O\n0.911496 0.498976 0.763378 O\n0.213830 0.400759 0.531268 O\n0.088504 0.998976 0.736620 O\n0.911496 0.001024 0.263378 O\n0.088504 0.501024 0.236621 O\n0.786170 0.599241 0.468731 O\n",
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"volume": 465.26708933164235,
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},
{
"id": "jvasp-101966",
"created_at": "2022-09-04T14:37:00.103965Z",
"updated_at": "2022-09-04T14:37:00.103980Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.795651 0.153081 0.216247\n1.251092 4.397336 0.208573\n0.412355 0.080386 17.439716\nCd H C O\n1 20 12 4\ndirect\n0.772725 0.948129 0.851185 Cd\n0.330312 0.186147 0.509887 H\n0.087126 0.658970 0.589688 H\n0.436286 0.758831 0.052427 H\n0.766322 0.764529 0.164726 H\n0.216695 0.710420 0.192479 H\n0.543837 0.731957 0.305740 H\n-0.004059 0.674905 0.333073 H\n0.317788 0.699856 0.447404 H\n0.769824 0.643510 0.474813 H\n-0.011536 0.817019 0.025741 H\n0.537218 0.607212 0.617728 H\n0.008774 0.289388 0.084793 H\n0.459103 0.237474 0.112707 H\n0.776882 0.253358 0.227710 H\n0.229076 0.196893 0.255038 H\n0.551403 0.221825 0.369381 H\n0.003375 0.164988 0.396763 H\n0.110000 0.137468 0.649871 H\n0.557626 0.079398 0.676662 H\n0.780454 0.132274 0.537745 H\n0.412727 0.489084 0.960492 C\n0.248535 0.634364 0.036572 C\n0.192939 0.413934 0.102086 C\n0.030777 0.585439 0.176054 C\n0.965362 0.376654 0.243647 C\n0.807049 0.551735 0.317260 C\n0.353300 0.482599 0.600347 C\n0.581506 0.520154 0.458826 C\n0.515963 0.311251 0.526381 C\n0.297547 0.261993 0.665805 C\n0.132920 0.407080 0.741883 C\n0.740124 0.345116 0.385220 C\n0.367819 0.663216 0.899046 O\n0.177734 0.232813 0.803306 O\n0.949798 0.691623 0.741629 O\n0.595630 0.204484 0.960761 O\n",
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},
{
"id": "jvasp-29786",
"created_at": "2022-09-04T14:36:49.559303Z",
"updated_at": "2022-09-04T14:36:49.559332Z",
"structure_string": "Ni1 H2 O2\n1.0\n3.195142 -0.001214 0.003849\n-1.598623 2.768895 0.000000\n-0.011463 -0.006618 4.390163\nNi H O\n1 2 2\ndirect\n0.000000 0.065247 -0.000000 Ni\n0.665870 0.398263 0.560085 H\n0.334132 0.732393 0.439914 H\n0.666198 0.398357 0.784551 O\n0.333805 0.732161 0.215448 O\n",
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},
{
"id": "jvasp-112198",
"created_at": "2022-09-04T14:38:45.860663Z",
"updated_at": "2022-09-04T14:38:45.860694Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.000849 0.118352 0.445355\n0.911535 4.274517 -0.023115\n0.243435 0.034808 15.564686\nCd H C O\n1 18 11 4\ndirect\n0.967331 0.794038 0.839226 Cd\n0.637453 0.732389 0.532572 H\n0.124215 0.314552 0.565842 H\n0.049879 0.147475 0.103140 H\n0.160723 0.128744 0.300470 H\n0.757455 0.180142 0.262611 H\n0.844988 0.192474 0.460276 H\n0.449897 0.240501 0.418685 H\n0.255250 0.787832 0.485001 H\n0.460328 0.098550 0.137621 H\n0.524022 0.604388 0.067423 H\n0.111898 0.663618 0.035743 H\n0.255240 0.612888 0.222672 H\n0.849705 0.667831 0.186446 H\n0.961276 0.659658 0.377616 H\n0.561758 0.713998 0.338217 H\n0.712022 0.083187 0.614683 H\n0.664635 0.436709 0.675015 H\n0.093255 0.656221 0.629214 H\n0.499255 0.311384 0.963019 C\n0.335274 0.478739 0.048634 C\n0.233003 0.276690 0.122972 C\n0.069279 0.484577 0.203592 C\n0.943034 0.309188 0.281383 C\n0.276909 0.466094 0.589776 C\n0.633658 0.370860 0.437846 C\n0.453173 0.607021 0.511576 C\n0.522163 0.280569 0.649192 C\n0.345354 0.153301 0.727706 C\n0.774677 0.531769 0.358807 C\n0.710534 0.040960 0.964428 O\n0.054110 0.306106 0.765368 O\n0.485669 0.881421 0.755013 O\n0.436755 0.451508 0.893120 O\n",
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{
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"structure_string": "Zn1 H20 C12 O4\n1.0\n4.177539 -0.142364 -0.333249\n-1.935365 4.531965 -0.312066\n-0.052480 0.039825 15.403847\nZn H C O\n1 20 12 4\ndirect\n0.394622 0.219300 0.145787 Zn\n0.104875 0.217511 0.491762 H\n0.890560 0.343765 0.348835 H\n0.308537 0.583340 0.969756 H\n0.545715 0.437687 0.776155 H\n0.122597 0.288049 0.810551 H\n0.330134 0.083371 0.636083 H\n0.899932 0.938186 0.666361 H\n0.109385 0.730657 0.494669 H\n0.677910 0.582609 0.524168 H\n0.668164 0.788084 0.912705 H\n0.460917 0.216546 0.379407 H\n0.800447 0.310006 0.910284 H\n0.379675 0.125306 0.944362 H\n0.544802 0.922975 0.772606 H\n0.115395 0.778061 0.803685 H\n0.320869 0.568888 0.631800 H\n0.889778 0.423470 0.661518 H\n0.882581 0.837982 0.363565 H\n0.453956 0.702758 0.392918 H\n0.674830 0.071978 0.521723 H\n0.811717 0.711147 0.041133 C\n0.571265 0.606984 0.955120 C\n0.538185 0.311188 0.908582 C\n0.371459 0.261405 0.813288 C\n0.298367 0.953945 0.767907 C\n0.146298 0.907163 0.671541 C\n0.705819 0.184905 0.388104 C\n0.925115 0.553222 0.529619 C\n0.856697 0.245845 0.485174 C\n0.634351 0.866190 0.353996 C\n0.499628 0.756525 0.258061 C\n0.074442 0.599853 0.626246 C\n0.027917 0.989399 0.050614 O\n0.353010 0.470165 0.242492 O\n0.555085 0.936621 0.199868 O\n0.800701 0.531828 0.097761 O\n",
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{
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"created_at": "2022-09-04T14:36:44.054061Z",
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"structure_string": "Ni1 H2 O2\n1.0\n3.197350 0.002054 0.005232\n-1.596897 2.765907 0.000000\n-0.015096 -0.008716 4.390179\nNi H O\n1 2 2\ndirect\n-0.000000 0.936640 -0.000000 Ni\n0.666710 0.269935 0.560098 H\n0.333286 0.603224 0.439902 H\n0.666565 0.269906 0.784563 O\n0.333432 0.603340 0.215437 O\n",
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},
{
"id": "jvasp-122054",
"created_at": "2022-09-04T14:38:52.333154Z",
"updated_at": "2022-09-04T14:38:52.333180Z",
"structure_string": "Li4 H8 N4\n1.0\n3.165499 -0.000000 0.000000\n0.000000 5.730996 0.000000\n-0.000000 -0.000000 6.852090\nLi H N\n4 8 4\ndirect\n0.834139 0.360426 0.961138 Li\n0.165861 0.860427 0.038862 Li\n0.334139 0.860427 0.538862 Li\n0.665861 0.360426 0.461138 Li\n0.715129 0.680774 0.760844 H\n0.284871 0.180774 0.239156 H\n0.215129 0.180774 0.739156 H\n0.784871 0.680774 0.260844 H\n0.902915 0.061835 0.355384 H\n0.097085 0.561836 0.644616 H\n0.402915 0.561836 0.144616 H\n0.597086 0.061835 0.855384 H\n0.815132 0.646955 0.620560 N\n0.184868 0.146955 0.379440 N\n0.315132 0.146955 0.879440 N\n0.684868 0.646955 0.120560 N\n",
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{
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"structure_string": "Ni2 B4 O8\n1.0\n4.275823 0.003036 1.201923\n0.795773 4.699759 2.578916\n0.000603 0.011125 5.419565\nNi B O\n2 4 8\ndirect\n0.249999 0.648078 0.351923 Ni\n0.749999 0.351922 0.648078 Ni\n0.868590 0.708951 0.923842 B\n0.631408 0.076160 0.291049 B\n0.131408 0.291049 0.076160 B\n0.368590 0.923840 0.708953 B\n0.982103 0.504459 0.205343 O\n0.017895 0.495541 0.794658 O\n0.473377 0.227604 0.044909 O\n0.517895 0.794657 0.495543 O\n0.026622 0.955090 0.772399 O\n0.973376 0.044910 0.227603 O\n0.482103 0.205343 0.504458 O\n0.526621 0.772396 0.955092 O\n",
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"formula_full": "Ni2 B4 O8",
"formula_reduced": "Ni(BO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.912444509523809,
"spacegroup": 15
},
{
"id": "jvasp-18878",
"created_at": "2022-09-04T14:36:07.696730Z",
"updated_at": "2022-09-04T14:36:07.696756Z",
"structure_string": "Co1 H1 O2\n1.0\n2.713262 -0.018585 3.758888\n1.201431 2.432838 3.758888\n-0.030136 -0.018585 4.635744\nCo H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.500002 H\n0.406904 0.406904 0.406906 O\n0.593095 0.593094 0.593097 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 4.911047617343736,
"density_atomic": 0.12867105046757796,
"volume": 31.087023735831742,
"volume_molar": 4.680260818665996,
"formula_full": "Co1 H1 O2",
"formula_reduced": "CoHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3817719750000004,
"spacegroup": 166
}
]
}