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{
"count": 55712,
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"results": [
{
"id": "jvasp-24258",
"created_at": "2022-09-04T14:37:47.649659Z",
"updated_at": "2022-09-04T14:37:47.649671Z",
"structure_string": "Zn4 Si6 Pb8 S2 O30\n1.0\n0.000000 11.366614 -0.008199\n5.265544 0.000000 0.000000\n0.000000 -3.899575 -12.071694\nZn Si Pb S O\n4 6 8 2 30\ndirect\n0.641320 0.016177 0.612717 Zn\n0.917615 0.995900 0.355543 Zn\n0.082384 0.495901 0.644456 Zn\n0.358679 0.516177 0.387283 Zn\n0.362297 0.441068 0.816547 Si\n0.923043 0.983831 0.624184 Si\n0.076956 0.483831 0.375816 Si\n0.637702 0.941067 0.183453 Si\n0.486553 0.015190 0.346946 Si\n0.513446 0.515189 0.653053 Si\n0.814782 0.488078 0.127928 Pb\n0.849447 0.492581 0.783457 Pb\n0.545775 0.954405 0.884581 Pb\n0.150552 0.992581 0.216543 Pb\n0.454224 0.454406 0.115419 Pb\n0.267467 0.087514 0.565709 Pb\n0.732532 0.587514 0.434290 Pb\n0.185217 0.988078 0.872071 Pb\n0.145510 0.508877 0.031012 S\n0.854489 0.008877 0.968988 S\n0.397061 0.419377 0.547048 O\n0.055514 0.839840 0.687166 O\n0.103712 0.512687 0.907081 O\n0.476676 0.323905 0.334111 O\n0.596555 0.768458 0.070215 O\n0.235542 0.724675 0.069179 O\n0.403444 0.268458 0.929785 O\n0.523323 0.823905 0.665889 O\n0.214894 0.267885 0.069965 O\n0.896287 0.012687 0.092919 O\n0.957298 0.035268 0.922919 O\n0.064433 0.793170 0.356889 O\n0.356605 0.881872 0.350694 O\n0.481069 0.404801 0.765236 O\n0.602938 0.919376 0.452952 O\n0.935566 0.293170 0.643111 O\n0.654965 0.241589 0.164046 O\n0.239572 0.308309 0.727855 O\n0.643394 0.381873 0.649305 O\n0.117641 0.403016 0.507655 O\n0.518930 0.904800 0.234764 O\n0.764457 0.224675 0.930821 O\n0.811435 0.875814 0.670723 O\n0.760427 0.808309 0.272145 O\n0.345034 0.741588 0.835953 O\n0.944486 0.339841 0.312834 O\n0.188564 0.375815 0.329277 O\n0.785105 0.767885 0.930034 O\n0.042701 0.535268 0.077081 O\n0.882358 0.903015 0.492344 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Zn",
"Si",
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S-Si-Zn",
"density": 6.047394290140247,
"density_atomic": 0.0691872778597164,
"volume": 722.6762137018834,
"volume_molar": 8.704115765633166,
"formula_full": "Zn4 Si6 Pb8 S2 O30",
"formula_reduced": "Zn2Si3Pb4SO15",
"formula_anonymous": "AB2C3D4E15",
"energy_above_hull": 2.2334056952,
"spacegroup": 4
},
{
"id": "jvasp-112250",
"created_at": "2022-09-04T14:38:46.719181Z",
"updated_at": "2022-09-04T14:38:46.719201Z",
"structure_string": "H22 C24 O4\n1.0\n7.595475 0.041078 -2.053679\n-2.346439 6.784693 -3.794886\n-0.110579 0.039840 8.420702\nH C O\n22 24 4\ndirect\n0.288529 0.053259 0.597186 H\n0.400111 0.546265 0.768374 H\n0.599889 0.453735 0.231625 H\n0.249243 0.231494 0.448671 H\n0.750757 0.768506 0.551328 H\n0.169490 0.093358 0.076243 H\n0.365544 0.134335 0.014811 H\n0.634456 0.865665 0.985188 H\n0.247169 0.349488 0.985726 H\n0.752831 0.650511 0.014273 H\n0.437549 0.703799 0.200786 H\n0.830510 0.906641 0.923757 H\n0.074168 0.825267 0.809707 H\n0.925833 0.174733 0.190292 H\n0.888582 0.477036 0.601140 H\n0.111418 0.522964 0.398859 H\n0.785203 0.161001 0.395609 H\n0.214797 0.838999 0.604390 H\n0.655046 0.160410 0.536127 H\n0.344954 0.839589 0.463872 H\n0.711471 0.946740 0.402814 H\n0.562451 0.296201 0.799213 H\n0.788417 0.544930 0.051097 C\n0.211583 0.455070 0.948903 C\n0.677788 0.869499 0.872908 C\n0.322212 0.130501 0.127091 C\n0.584515 0.678499 0.680476 C\n0.444350 0.526190 0.650850 C\n0.639721 0.650922 0.527846 C\n0.360279 0.349078 0.472154 C\n0.555650 0.473810 0.349149 C\n0.316882 0.651422 0.068573 C\n0.415485 0.321501 0.319523 C\n0.683118 0.348577 0.931426 C\n0.061135 0.822503 0.336763 C\n0.733773 0.212125 0.977396 C\n0.112989 0.723168 0.850939 C\n0.887011 0.276831 0.149060 C\n0.008672 0.524243 0.731924 C\n0.991328 0.475757 0.268075 C\n0.054150 0.387254 0.779084 C\n0.945850 0.612746 0.220915 C\n0.938865 0.177497 0.663236 C\n0.763128 0.107006 0.488553 C\n0.236872 0.892994 0.511446 C\n0.266228 0.787875 0.022603 C\n0.017199 0.937416 0.286856 O\n0.624910 0.021817 0.845383 O\n0.375090 0.978183 0.154616 O\n0.982802 0.062584 0.713143 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4307268440604501,
"density_atomic": 0.11505567952975396,
"volume": 434.572201949142,
"volume_molar": 5.23410994104176,
"formula_full": "H22 C24 O4",
"formula_reduced": "H11(C6O)2",
"formula_anonymous": "A2B11C12",
"energy_above_hull": 5.386483879999999,
"spacegroup": 2
},
{
"id": "jvasp-112047",
"created_at": "2022-09-04T14:38:42.089327Z",
"updated_at": "2022-09-04T14:38:42.089356Z",
"structure_string": "Ca2 H24 C16 O8\n1.0\n4.194802 -0.012818 0.104684\n0.368520 7.945648 0.937100\n0.059072 0.097604 12.175074\nCa H C O\n2 24 16 8\ndirect\n0.924373 0.495091 0.840984 Ca\n0.924373 -0.004908 0.840983 Ca\n0.816470 0.349115 0.463225 H\n0.818057 0.136285 0.521200 H\n0.818046 0.636285 0.521198 H\n0.267464 0.181780 0.602611 H\n0.267457 0.681780 0.602612 H\n0.265156 0.895617 0.549311 H\n0.265165 0.395617 0.549310 H\n0.322287 0.301055 0.355760 H\n0.322273 0.801055 0.355759 H\n0.348597 0.087948 0.411348 H\n0.348577 0.587949 0.411348 H\n0.816457 0.849114 0.463222 H\n0.861189 0.769662 0.262148 H\n0.861198 0.269667 0.262147 H\n0.447891 0.836988 0.115430 H\n0.149336 0.689661 0.110256 H\n0.149343 0.189646 0.110259 H\n0.416828 0.487772 0.231345 H\n0.447883 0.336983 0.115432 H\n0.776977 0.015423 0.155904 H\n0.776956 0.515423 0.155904 H\n0.905644 0.563645 0.330062 H\n0.905667 0.063652 0.330061 H\n0.416854 0.987769 0.231349 H\n0.493150 0.198265 0.386061 C\n0.406343 0.206271 0.106277 C\n0.406337 0.706277 0.106275 C\n0.582402 0.083768 0.196514 C\n0.582382 0.583769 0.196512 C\n0.727160 0.157803 0.293243 C\n0.727142 0.657800 0.293243 C\n0.493134 0.698265 0.386062 C\n0.423702 0.287378 0.578782 C\n0.660375 0.743300 0.487920 C\n0.423694 0.787378 0.578781 C\n0.534295 0.174901 0.992748 C\n0.534289 0.674903 0.992748 C\n0.567620 0.322590 0.685758 C\n0.567614 0.822590 0.685757 C\n0.660388 0.243299 0.487920 C\n0.426854 0.930350 0.741913 O\n0.828427 0.745655 0.717938 O\n0.828432 0.245655 0.717939 O\n0.403694 0.570725 0.938606 O\n0.403698 0.070727 0.938605 O\n0.793597 0.744098 0.957268 O\n0.793603 0.244098 0.957270 O\n0.426854 0.430350 0.741914 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.7387062631140675,
"density_atomic": 0.12332643343073638,
"volume": 405.42808714306506,
"volume_molar": 4.883090017666168,
"formula_full": "Ca2 H24 C16 O8",
"formula_reduced": "CaH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.4895313768,
"spacegroup": 1
},
{
"id": "jvasp-98098",
"created_at": "2022-09-04T14:35:59.576861Z",
"updated_at": "2022-09-04T14:35:59.576882Z",
"structure_string": "Ca20 Al12 Ge18\n1.0\n10.525990 0.014833 1.573288\n1.357784 10.438060 1.573288\n0.016863 0.014833 10.642904\nCa Al Ge\n20 12 18\ndirect\n0.207286 0.500000 0.792714 Ca\n0.293708 0.706292 0.000000 Ca\n0.500000 0.207286 0.792714 Ca\n0.706292 0.293708 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.343646 0.051720 0.343646 Ca\n0.293708 -0.000000 0.706292 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.792714 0.207286 Ca\n0.792714 0.500000 0.207286 Ca\n0.948279 0.656353 0.656354 Ca\n0.656353 0.656353 0.948279 Ca\n-0.000000 0.706292 0.293708 Ca\n0.656353 0.948279 0.656354 Ca\n0.343646 0.343646 0.051721 Ca\n-0.000000 0.293708 0.706292 Ca\n0.207286 0.792714 0.500000 Ca\n0.706292 -0.000000 0.293708 Ca\n0.792714 0.207286 0.500000 Ca\n0.051720 0.343646 0.343646 Ca\n0.030678 0.316248 0.030679 Al\n0.030678 0.030678 0.316248 Al\n0.969321 0.969321 0.683752 Al\n0.500164 0.715110 0.715111 Al\n0.284889 0.499835 0.284889 Al\n0.499835 0.284889 0.284889 Al\n0.316248 0.030678 0.030679 Al\n0.683751 0.969321 0.969322 Al\n0.284889 0.284889 0.499836 Al\n0.715110 0.500164 0.715111 Al\n0.969321 0.683751 0.969322 Al\n0.715110 0.715110 0.500165 Al\n0.795818 0.118753 0.795818 Ge\n0.486190 0.813657 0.486190 Ge\n0.513810 0.186343 0.513810 Ge\n0.109227 0.109227 0.513171 Ge\n0.204182 0.204182 0.881246 Ge\n0.204182 0.881246 0.204182 Ge\n0.890772 0.486829 0.890773 Ge\n0.118753 0.795818 0.795818 Ge\n0.881246 0.204182 0.204182 Ge\n0.513171 0.109227 0.109227 Ge\n0.513810 0.513810 0.186343 Ge\n0.795818 0.795818 0.118754 Ge\n0.109227 0.513171 0.109227 Ge\n0.813657 0.486190 0.486190 Ge\n0.486190 0.486190 0.813657 Ge\n0.890772 0.890772 0.486829 Ge\n0.486829 0.890772 0.890773 Ge\n0.186343 0.513810 0.513810 Ge\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ge"
],
"chemical_system": "Al-Ca-Ge",
"density": 3.456884812196581,
"density_atomic": 0.04278474735017248,
"volume": 1168.6407679534523,
"volume_molar": 14.075438404980371,
"formula_full": "Ca20 Al12 Ge18",
"formula_reduced": "Ca10(Al2Ge3)3",
"formula_anonymous": "A6B9C10",
"energy_above_hull": 0.6377805819999999,
"spacegroup": 166
},
{
"id": "jvasp-98641",
"created_at": "2022-09-04T14:35:49.165629Z",
"updated_at": "2022-09-04T14:35:49.165646Z",
"structure_string": "Ga2 H24 N6 O6 F12\n1.0\n5.857995 0.256518 1.238357\n2.321830 7.100714 0.443519\n0.728323 -0.177731 10.344862\nGa H N O F\n2 24 6 6 12\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.054558 0.196734 0.496817 H\n0.326416 0.879053 0.616553 H\n0.673585 0.120947 0.383447 H\n0.056262 0.051433 0.690030 H\n0.943738 0.948566 0.309970 H\n0.322421 0.105281 0.638436 H\n0.677580 0.894719 0.361564 H\n0.968656 0.465671 0.343474 H\n0.031344 0.534329 0.656527 H\n0.336861 0.364660 0.102314 H\n0.663139 0.635339 0.897686 H\n0.945442 0.803266 0.503183 H\n0.787598 0.790057 0.806281 H\n0.379659 0.315945 0.257073 H\n0.620341 0.684055 0.742927 H\n0.739632 0.451358 0.063162 H\n0.260368 0.548641 0.936838 H\n0.439864 0.835006 0.139067 H\n0.560136 0.164994 0.860934 H\n0.587386 0.682389 0.243238 H\n0.412614 0.317610 0.756762 H\n0.761339 0.742656 0.096939 H\n0.212403 0.209943 0.193719 H\n0.238661 0.257343 0.903061 H\n0.774605 0.974362 0.382907 N\n0.255771 0.331525 0.199139 N\n0.225395 0.025638 0.617093 N\n0.597723 0.717210 0.142838 N\n0.402277 0.282790 0.857162 N\n0.744229 0.668475 0.800861 N\n0.415528 0.431498 -0.069519 O\n0.584473 0.568502 0.069519 O\n-0.036631 0.505567 0.752087 O\n0.036631 0.494433 0.247913 O\n0.801306 0.928099 0.514923 O\n0.198694 0.071901 0.485078 O\n0.149305 0.608766 0.512089 F\n0.850695 0.391234 0.487911 F\n0.441477 0.292026 0.600964 F\n0.558524 0.707974 0.399036 F\n0.035420 0.732318 0.994255 F\n0.145469 0.976100 0.154278 F\n0.314642 -0.050004 0.877719 F\n0.685358 0.050004 0.122281 F\n0.854532 0.023900 0.845722 F\n0.561861 0.355204 0.340393 F\n0.964581 0.267682 0.005745 F\n0.438140 0.644796 0.659608 F\n",
"nsites": 50,
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"elements": [
"Ga",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-Ga-H-N-O",
"density": 2.2721796807509005,
"density_atomic": 0.1196824120230143,
"volume": 417.77232890648344,
"volume_molar": 5.0317675406157205,
"formula_full": "Ga2 H24 N6 O6 F12",
"formula_reduced": "GaH12N3(OF2)3",
"formula_anonymous": "AB3C3D6E12",
"energy_above_hull": 2.6260529708,
"spacegroup": 2
},
{
"id": "jvasp-98445",
"created_at": "2022-09-04T14:35:50.214715Z",
"updated_at": "2022-09-04T14:35:50.214747Z",
"structure_string": "K2 Al4 Ni2 P6 H8 O28\n1.0\n6.207349 5.041633 -2.032304\n-6.207349 5.041633 2.032304\n0.014260 0.000000 8.741808\nK Al Ni P H O\n2 4 2 6 8 28\ndirect\n0.863199 0.863199 0.250000 K\n0.136800 0.136800 0.750000 K\n0.404990 0.747780 0.927710 Al\n0.747780 0.404990 0.572290 Al\n0.595010 0.252220 0.072290 Al\n0.252220 0.595010 0.427710 Al\n0.777658 0.777658 0.750000 Ni\n0.222341 0.222341 0.250000 Ni\n0.498268 0.498268 0.250000 P\n0.501731 0.501731 0.750000 P\n0.916096 0.332964 0.324547 P\n0.667035 0.083903 0.824547 P\n0.083903 0.667035 0.675453 P\n0.332964 0.916096 0.175453 P\n0.024596 0.726794 0.999111 H\n0.975403 0.273205 0.000889 H\n0.273205 0.975403 0.499111 H\n0.726794 0.024596 0.500889 H\n0.131813 0.423362 0.953470 H\n0.423362 0.131813 0.546530 H\n0.868186 0.576637 0.046530 H\n0.576637 0.868186 0.453470 H\n0.961029 0.494333 0.656627 O\n0.494333 0.961029 0.843374 O\n0.181318 0.730773 0.533955 O\n0.730773 0.181318 0.966046 O\n0.818682 0.269227 0.466046 O\n0.269227 0.818682 0.033955 O\n0.380391 0.788740 0.336307 O\n0.788740 0.380391 0.163693 O\n0.619608 0.211260 0.663694 O\n0.211260 0.619608 0.836307 O\n0.651196 0.528909 0.388369 O\n0.528909 0.651196 0.111632 O\n0.348804 0.471090 0.611632 O\n-0.001288 0.189611 0.317789 O\n0.325630 0.473872 0.303112 O\n0.473872 0.325630 0.196888 O\n0.674369 0.526128 0.696888 O\n0.526128 0.674369 0.803113 O\n0.101136 0.303551 0.010877 O\n0.303551 0.101136 0.489123 O\n0.898863 0.696448 0.989123 O\n0.696448 0.898863 0.510877 O\n0.189611 -0.001288 0.182211 O\n0.505667 0.038971 0.156627 O\n0.810388 0.001287 0.817790 O\n0.001287 0.810388 0.682211 O\n0.471090 0.348804 0.888369 O\n0.038971 0.505667 0.343374 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"K",
"Al",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "Al-H-K-Ni-O-P",
"density": 2.8676334049708743,
"density_atomic": 0.09133336731127084,
"volume": 547.44505181328,
"volume_molar": 6.593582320770131,
"formula_full": "K2 Al4 Ni2 P6 H8 O28",
"formula_reduced": "KAl2NiP3(H2O7)2",
"formula_anonymous": "ABC2D3E4F14",
"energy_above_hull": 2.79925846,
"spacegroup": 15
},
{
"id": "jvasp-112005",
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