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{
"count": 55712,
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{
"id": "jvasp-98304",
"created_at": "2022-09-04T14:36:08.037436Z",
"updated_at": "2022-09-04T14:36:08.037461Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.105953 -0.023696 -0.182474\n-0.003797 6.247668 0.263155\n-0.365583 0.474831 11.326056\nSr H O\n2 32 20\ndirect\n0.971984 0.013303 0.502409 Sr\n0.019377 0.940993 -0.020006 Sr\n0.268883 0.380802 0.605837 H\n0.035310 0.421216 0.652850 H\n0.370915 0.716399 0.604519 H\n0.432164 -0.054588 0.647707 H\n0.737828 0.178377 0.713931 H\n0.597782 0.281098 0.600886 H\n0.068823 0.555416 0.163699 H\n0.721822 0.394902 0.098299 H\n0.032059 0.228208 0.156245 H\n0.741310 0.831868 0.212259 H\n0.620186 0.726167 0.106103 H\n0.385595 0.268541 0.103197 H\n0.432277 0.023545 0.128920 H\n0.709069 0.608297 0.602956 H\n0.800555 0.722871 0.714899 H\n0.184993 0.757433 0.224598 H\n0.561801 0.922785 0.842925 H\n0.626609 0.679865 0.887064 H\n0.026745 0.351867 0.304636 H\n0.229315 0.425401 0.396771 H\n0.922175 0.606971 0.374315 H\n0.718488 0.213131 0.282484 H\n0.575602 0.309102 0.379343 H\n0.392221 0.001471 0.346668 H\n0.675020 0.658422 0.388194 H\n0.348723 0.758089 0.391778 H\n0.979048 0.402985 0.849499 H\n0.742338 0.348306 0.894389 H\n0.206688 0.709207 0.781078 H\n0.300166 0.571070 0.897226 H\n0.403209 0.227036 0.894697 H\n0.267971 0.179032 0.775293 H\n0.335057 0.107814 0.851356 O\n0.158362 0.689894 0.149212 O\n0.669656 0.141354 0.636888 O\n0.307487 0.843919 0.640581 O\n0.142537 0.304871 0.646790 O\n0.847954 0.671437 0.640219 O\n0.688054 0.821532 0.852277 O\n0.917641 0.326658 0.175070 O\n0.162032 0.641662 0.858652 O\n0.536619 0.454792 0.940157 O\n0.271575 0.897490 0.362280 O\n0.637726 0.171080 0.354581 O\n0.817801 0.730803 0.364823 O\n0.072304 0.370844 0.390828 O\n0.567480 0.465962 0.070836 O\n0.480028 0.502723 0.557410 O\n0.464198 0.526299 0.424449 O\n0.681661 0.866825 0.128899 O\n0.874342 0.282094 0.860497 O\n0.308742 0.126862 0.110805 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.0327901587338926,
"density_atomic": 0.12532263042682162,
"volume": 430.8878597272316,
"volume_molar": 4.805309894541711,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0292326411111112,
"spacegroup": 1
},
{
"id": "jvasp-98303",
"created_at": "2022-09-04T14:36:04.924893Z",
"updated_at": "2022-09-04T14:36:04.924924Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.187161 -0.016889 0.193262\n-0.015290 6.194082 0.167158\n0.337617 0.296977 11.087047\nSr H O\n2 32 20\ndirect\n-0.017523 -0.023593 0.496769 Sr\n0.039684 0.025512 0.011867 Sr\n-0.010859 0.413968 0.623839 H\n0.228952 0.333006 0.632494 H\n0.345608 0.682633 0.619171 H\n0.234902 0.811511 0.725383 H\n0.509708 -0.019159 0.633941 H\n0.584600 0.224132 0.628128 H\n0.304739 0.626383 0.104196 H\n0.747137 0.403487 0.104539 H\n0.805272 0.267250 0.223806 H\n0.581024 0.965646 0.153525 H\n0.636524 0.734088 0.102125 H\n0.277254 0.212804 0.227535 H\n0.412246 0.291624 0.106343 H\n0.675591 0.568747 0.619474 H\n0.831130 0.676390 0.713451 H\n0.065896 0.564479 0.155701 H\n0.719911 0.976997 0.777700 H\n0.670127 0.773638 0.878869 H\n0.041358 0.435937 0.354699 H\n0.269414 0.376630 0.407324 H\n0.797230 0.735328 0.283177 H\n0.604217 0.265462 0.405006 H\n0.559720 0.035863 0.353616 H\n0.270182 0.791802 0.286419 H\n0.709818 0.599913 0.402537 H\n0.380467 0.706028 0.405023 H\n0.977610 0.317742 0.795104 H\n0.785549 0.420800 0.884633 H\n0.091018 0.594677 0.877915 H\n0.336855 0.657642 0.888739 H\n0.496090 0.073983 0.885093 H\n0.432112 0.316922 0.889287 H\n0.368438 0.168454 0.883506 O\n0.170840 0.686953 0.147009 O\n0.643194 0.072424 0.637179 O\n0.279640 0.828817 0.636786 O\n0.074170 0.280909 0.642768 O\n0.828235 0.637921 0.629246 O\n0.748624 0.918179 0.860858 O\n0.871735 0.331679 0.146126 O\n0.189642 0.723743 0.873249 O\n0.558698 0.544124 0.914290 O\n0.319015 0.840338 0.364450 O\n0.678000 0.140924 0.363054 O\n0.844006 0.672214 0.361664 O\n0.141907 0.313595 0.366795 O\n0.537524 0.525612 0.050385 O\n0.469709 0.459427 0.594100 O\n0.485804 0.475733 0.458022 O\n0.701566 0.862344 0.142358 O\n0.939469 0.363765 0.878414 O\n0.342791 0.160419 0.150577 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.064928390090464,
"density_atomic": 0.12730397005185198,
"volume": 424.1815866229886,
"volume_molar": 4.730520782303278,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.028848196666667,
"spacegroup": 1
},
{
"id": "jvasp-102004",
"created_at": "2022-09-04T14:36:59.751770Z",
"updated_at": "2022-09-04T14:36:59.751786Z",
"structure_string": "H28 C16 O10\n1.0\n6.239957 -0.000003 -0.239309\n-0.000003 6.151003 -0.000003\n-0.025027 -0.000006 10.765488\nH C O\n28 16 10\ndirect\n0.041979 0.749665 0.792703 H\n0.677868 0.864068 0.198492 H\n0.496000 0.221182 0.450485 H\n0.504003 0.721181 0.549515 H\n0.646699 0.332770 0.326652 H\n0.353303 0.832767 0.673348 H\n0.501669 0.508465 0.423029 H\n0.498333 0.008464 0.576972 H\n0.395297 0.295375 -0.002775 H\n0.604706 0.795374 0.002775 H\n0.560326 0.427821 0.116058 H\n0.439677 0.927819 0.883943 H\n0.668499 0.216541 0.022854 H\n0.331504 0.716540 0.977146 H\n0.322133 0.364067 0.801509 H\n0.121796 0.355323 0.506843 H\n0.958023 0.249667 0.207298 H\n0.878206 0.855324 0.493158 H\n0.090279 0.264795 0.063451 H\n0.591204 0.351384 0.680767 H\n0.408799 0.851385 0.319233 H\n0.909722 0.764795 0.936549 H\n0.169760 0.665202 0.169672 H\n0.046438 0.079423 0.659226 H\n0.953563 0.579423 0.340774 H\n0.164278 0.558138 0.625536 H\n0.835723 0.058139 0.374464 H\n0.830243 0.165202 0.830329 H\n0.501090 0.348632 0.379404 C\n0.498912 0.848631 0.620596 C\n0.525052 0.274055 0.067783 C\n0.474951 0.774054 0.932218 C\n0.930357 0.913748 0.403093 C\n0.069644 0.413748 0.596907 C\n0.916943 0.740124 0.300823 C\n0.083059 0.240124 0.699177 C\n0.901413 0.305775 0.785119 C\n0.255846 0.934149 0.300202 C\n0.744157 0.434148 0.699799 C\n0.288030 0.150150 0.227487 C\n0.711972 0.650148 0.772513 C\n0.078546 0.171646 0.149627 C\n0.921456 0.671646 0.850374 C\n0.098590 0.805775 0.214881 C\n0.018277 0.952391 0.117487 O\n0.981725 0.452391 0.882513 O\n0.312125 0.341361 0.298501 O\n0.687877 0.841360 0.701500 O\n0.712806 0.723509 0.238222 O\n0.528906 0.605595 0.844569 O\n0.287197 0.223508 0.761778 O\n0.844646 0.467009 0.582632 O\n0.471097 0.105596 0.155431 O\n0.155355 0.967009 0.417368 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5288075620605592,
"density_atomic": 0.13069868701018084,
"volume": 413.16405876207193,
"volume_molar": 4.607652071922423,
"formula_full": "H28 C16 O10",
"formula_reduced": "H14C8O5",
"formula_anonymous": "A5B8C14",
"energy_above_hull": 4.559087314814815,
"spacegroup": 4
},
{
"id": "jvasp-95149",
"created_at": "2022-09-04T14:36:31.858290Z",
"updated_at": "2022-09-04T14:36:31.858314Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.414235 0.025707 -0.103182\n0.025707 6.414235 0.103182\n-0.179528 0.179528 10.966193\nSr H O\n2 32 20\ndirect\n-0.018108 -0.008890 0.257049 Sr\n0.008890 0.018109 0.757049 Sr\n0.291957 0.401436 0.650365 H\n0.042996 0.441987 0.628845 H\n0.374108 0.743136 0.640989 H\n0.309827 0.895150 0.528057 H\n0.626263 0.298449 0.652502 H\n0.701944 0.156682 0.544040 H\n0.104852 0.690174 0.028057 H\n0.701553 0.373738 0.152502 H\n0.843320 0.298057 0.044040 H\n0.558014 0.957005 0.128846 H\n0.598565 0.708044 0.150366 H\n0.314218 0.123636 0.050332 H\n0.382207 0.277475 0.157945 H\n0.722526 0.617794 0.657945 H\n0.876365 0.685783 0.550332 H\n0.256865 0.625893 0.140989 H\n0.626910 0.723657 0.858584 H\n0.703141 0.850692 0.974188 H\n0.276344 0.373091 0.358584 H\n0.149309 0.296860 0.474188 H\n0.733951 0.596382 0.361970 H\n0.564481 0.025728 0.389915 H\n0.613699 0.267500 0.361908 H\n0.380318 0.927850 0.270435 H\n0.973549 0.532741 0.376285 H\n0.408124 0.706522 0.345233 H\n0.732501 0.386302 0.861908 H\n0.974273 0.435520 0.889914 H\n0.072151 0.619684 0.770435 H\n0.293479 0.591878 0.845233 H\n0.467260 0.026453 0.876284 H\n0.403619 0.266050 0.861969 H\n0.346892 0.124333 0.886249 O\n0.135744 0.718829 0.113942 O\n0.713644 0.173578 0.633709 O\n0.281172 0.864258 0.613942 O\n0.152182 0.331459 0.629697 O\n0.868765 0.673250 0.641111 O\n0.693421 0.859765 0.882807 O\n0.826423 0.286357 0.133710 O\n0.140584 0.646808 0.850347 O\n0.509611 0.500690 0.824624 O\n0.353194 0.859417 0.350347 O\n0.680257 0.127699 0.388771 O\n0.875668 0.653109 0.386249 O\n0.140237 0.306580 0.382808 O\n0.482411 0.498618 0.187679 O\n0.501383 0.517590 0.687679 O\n0.499311 0.490390 0.324624 O\n0.668542 0.847819 0.129697 O\n0.872302 0.319744 0.888771 O\n0.326751 0.131236 0.141111 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 1.942441236077329,
"density_atomic": 0.11975256969285865,
"volume": 450.9297807846561,
"volume_molar": 5.028819653261374,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.029282641111112,
"spacegroup": 9
},
{
"id": "jvasp-96947",
"created_at": "2022-09-04T14:36:32.765027Z",
"updated_at": "2022-09-04T14:36:32.765052Z",
"structure_string": "Na4 Ca6 Si12 O32\n1.0\n6.842979 -0.042123 -2.451401\n-2.023460 9.969665 -1.092427\n-0.047264 0.015185 10.690653\nNa Ca Si O\n4 6 12 32\ndirect\n0.648122 0.418454 0.818163 Na\n0.603097 0.865104 0.520213 Na\n0.396903 0.134896 0.479786 Na\n0.351878 0.581545 0.181837 Na\n0.034634 0.878097 0.878220 Ca\n0.537309 0.867301 0.887247 Ca\n0.965366 0.121903 0.121780 Ca\n0.097416 0.849656 0.516991 Ca\n0.902585 0.150343 0.483009 Ca\n0.462691 0.132698 0.112752 Ca\n0.847251 0.683432 0.070727 Si\n0.751305 0.134715 0.769273 Si\n0.681165 0.870093 0.230419 Si\n0.248695 0.865285 0.230726 Si\n0.207276 0.586919 0.855268 Si\n0.612055 0.399693 0.358156 Si\n0.152750 0.316567 0.929272 Si\n0.318836 0.129907 0.769580 Si\n0.792725 0.413080 0.144731 Si\n0.183569 0.399972 0.373141 Si\n0.387945 0.600307 0.641843 Si\n0.816431 0.600027 0.626859 Si\n0.267509 0.741973 0.922021 O\n0.674228 0.975796 0.125539 O\n0.601617 0.559280 0.648790 O\n0.220726 0.482801 0.964968 O\n0.459644 0.815608 0.238793 O\n0.206397 0.250656 0.063456 O\n0.793603 0.749343 0.936544 O\n0.830415 0.930895 0.383475 O\n0.974551 0.542481 0.747840 O\n0.025450 0.457519 0.252159 O\n0.911820 0.281114 0.838267 O\n0.169586 0.069105 0.616524 O\n0.616283 0.242390 0.359056 O\n0.732491 0.258026 0.077979 O\n0.729176 0.087554 0.615511 O\n0.383717 0.757609 0.640943 O\n0.362459 0.552726 0.779203 O\n0.779274 0.517199 0.035032 O\n0.194781 0.974435 0.129203 O\n0.637541 0.447273 0.220797 O\n0.112126 0.241159 0.366935 O\n0.540357 0.184391 0.761206 O\n0.731590 0.729473 0.171256 O\n0.270825 0.912446 0.384488 O\n0.787814 0.504470 0.485033 O\n0.398383 0.440719 0.351210 O\n0.805219 0.025564 0.870797 O\n0.887875 0.758840 0.633064 O\n0.268410 0.270527 0.828744 O\n0.212187 0.495529 0.514966 O\n0.088180 0.718885 0.161732 O\n0.325772 0.024204 0.874460 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Na",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-Na-O-Si",
"density": 2.6968030113968697,
"density_atomic": 0.07423085569702845,
"volume": 727.460292528484,
"volume_molar": 8.112719035032049,
"formula_full": "Na4 Ca6 Si12 O32",
"formula_reduced": "Na2Ca3(Si3O8)2",
"formula_anonymous": "A2B3C6D16",
"energy_above_hull": 2.482855439259259,
"spacegroup": 2
},
{
"id": "jvasp-97647",
"created_at": "2022-09-04T14:36:18.831379Z",
"updated_at": "2022-09-04T14:36:18.831407Z",
"structure_string": "Hg2 H32 Br12 N8\n1.0\n9.042498 0.000000 0.000000\n0.000000 9.040688 0.000000\n0.000000 0.000000 8.874063\nHg H Br N\n2 32 12 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.255193 0.858404 0.308425 H\n0.642241 0.244786 0.808272 H\n0.142241 0.255215 0.308273 H\n0.441928 0.857290 0.674071 H\n0.142595 0.441961 0.326031 H\n0.244807 0.358404 0.808425 H\n0.857406 0.558039 0.326031 H\n0.357405 0.941961 0.826031 H\n0.357759 0.755215 0.808272 H\n0.755194 0.641596 0.808425 H\n0.857759 0.744786 0.691727 H\n0.857759 0.744786 0.308273 H\n0.558073 0.142711 0.325929 H\n0.941928 0.642711 0.174071 H\n0.142595 0.441961 0.673968 H\n0.558073 0.142711 0.674071 H\n0.744807 0.141596 0.691574 H\n0.941928 0.642711 0.825929 H\n0.357759 0.755215 0.191727 H\n0.744807 0.141596 0.308425 H\n0.755194 0.641596 0.191574 H\n0.255193 0.858404 0.691574 H\n0.142241 0.255215 0.691727 H\n0.642595 0.058039 0.826031 H\n0.244807 0.358404 0.191574 H\n0.642241 0.244786 0.191727 H\n0.441928 0.857290 0.325929 H\n0.857406 0.558039 0.673968 H\n0.642595 0.058039 0.173968 H\n0.357405 0.941961 0.173968 H\n0.058073 0.357290 0.825929 H\n0.058073 0.357290 0.174071 H\n0.823631 0.368170 0.500000 Br\n0.368215 0.176350 0.500000 Br\n0.000000 0.000000 0.705191 Br\n0.000000 0.000000 0.294808 Br\n0.676370 0.868170 0.000000 Br\n0.131785 0.676350 0.000000 Br\n0.631786 0.823650 0.500000 Br\n0.500000 0.500000 0.205191 Br\n0.868215 0.323650 0.000000 Br\n0.500000 0.500000 0.794808 Br\n0.176369 0.631830 0.500000 Br\n0.323631 0.131830 0.000000 Br\n0.853868 0.646003 0.750014 N\n0.353868 0.853997 0.749985 N\n0.146132 0.353997 0.750014 N\n0.146132 0.353997 0.249985 N\n0.646132 0.146003 0.749985 N\n0.353868 0.853997 0.250015 N\n0.853868 0.646003 0.249985 N\n0.646132 0.146003 0.250015 N\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Hg",
"H",
"Br",
"N"
],
"chemical_system": "Br-H-Hg-N",
"density": 3.4433521736103287,
"density_atomic": 0.07443571238545424,
"volume": 725.4582279050283,
"volume_molar": 8.090391785081925,
"formula_full": "Hg2 H32 Br12 N8",
"formula_reduced": "HgH16(Br3N2)2",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.809894527037037,
"spacegroup": 128
},
{
"id": "jvasp-88239",
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