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"results": [
{
"id": "jvasp-111907",
"created_at": "2022-09-04T14:38:42.618043Z",
"updated_at": "2022-09-04T14:38:42.618062Z",
"structure_string": "Li6 Cr2 P4 O16\n1.0\n5.073254 0.011147 0.648598\n2.908783 4.156562 0.648598\n0.079387 0.041451 12.985127\nLi Cr P O\n6 2 4 16\ndirect\n0.630933 0.702756 0.348810 Li\n0.054999 0.945001 0.750000 Li\n0.945001 0.054999 0.250000 Li\n0.702756 0.630934 0.848810 Li\n0.297244 0.369067 0.151191 Li\n0.369066 0.297244 0.651191 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.363218 0.317969 0.887346 P\n0.636781 0.682031 0.112655 P\n0.317969 0.363218 0.387346 P\n0.682031 0.636782 0.612655 P\n0.182173 0.498816 0.788516 O\n0.972207 0.662540 0.583742 O\n0.498816 0.182173 0.288516 O\n0.662539 0.972208 0.083742 O\n0.337460 0.027792 0.916258 O\n0.817826 0.501184 0.211484 O\n0.027792 0.337460 0.416258 O\n0.733954 0.175636 0.869299 O\n0.451525 0.776670 0.524858 O\n0.824364 0.266046 0.630701 O\n0.776669 0.451526 0.024858 O\n0.266046 0.824364 0.130701 O\n0.548474 0.223330 0.475143 O\n0.501184 0.817827 0.711484 O\n0.175636 0.733954 0.369299 O\n0.223330 0.548474 0.975143 O\n",
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{
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"created_at": "2022-09-04T14:38:46.907344Z",
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"structure_string": "H12 Pb1 C8 O4\n1.0\n3.917629 -0.110511 -0.386702\n-1.141250 4.404507 -0.182024\n-0.063411 -0.085450 12.984944\nH Pb C O\n12 1 8 4\ndirect\n0.071794 0.922857 0.538900 H\n0.513399 0.945084 0.580000 H\n0.293741 0.809084 0.160737 H\n0.743273 0.835684 0.201531 H\n0.983715 0.392586 0.450904 H\n0.171712 0.857024 0.350151 H\n0.105687 0.338490 0.260669 H\n0.555156 0.371261 0.302289 H\n0.213616 0.283141 0.072447 H\n0.655207 0.305383 0.113570 H\n0.433262 0.419198 0.491670 H\n0.621208 0.889854 0.391756 H\n0.863535 0.114104 0.826218 Pb\n0.128078 0.637344 0.657810 C\n0.250680 0.780029 0.560183 C\n0.249677 0.555580 0.468989 C\n0.357722 0.721995 0.372488 C\n0.369189 0.506321 0.279943 C\n0.477304 0.672698 0.183440 C\n0.476331 0.448199 0.092264 C\n0.598984 0.590804 -0.005369 C\n0.229896 0.805198 0.745308 O\n0.923217 0.369133 0.652392 O\n0.497090 0.422912 0.907140 O\n0.803976 0.858961 0.000035 O\n",
"nsites": 25,
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"density_atomic": 0.1125049083698263,
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"volume_molar": 5.3527804673232655,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
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{
"id": "jvasp-112623",
"created_at": "2022-09-04T14:38:41.872978Z",
"updated_at": "2022-09-04T14:38:41.872993Z",
"structure_string": "Ti1 Nb6 Tl2 O18\n1.0\n7.662107 -0.003401 0.009056\n3.833983 6.633889 0.009056\n-0.009861 -0.005687 8.299046\nTi Nb Tl O\n1 6 2 18\ndirect\n0.997173 0.002827 0.500001 Ti\n0.332308 0.835253 0.847313 Nb\n0.829631 0.337928 0.847307 Nb\n0.829627 0.835251 0.847306 Nb\n0.662072 0.170370 0.152694 Nb\n0.164747 0.667692 0.152689 Nb\n0.164748 0.170373 0.152695 Nb\n0.330509 0.336071 0.713494 Tl\n0.663929 0.669491 0.286508 Tl\n0.756572 0.123113 0.363814 O\n0.283759 0.859529 0.102180 O\n0.140482 0.146124 0.897808 O\n0.140471 0.716241 0.897822 O\n0.710622 0.146099 0.897804 O\n0.117492 0.123087 0.363802 O\n0.117465 0.762260 0.363786 O\n0.876913 0.882508 0.636200 O\n0.446616 0.103949 0.160765 O\n0.237740 0.882535 0.636216 O\n0.446611 0.452243 0.160790 O\n0.853900 0.289378 0.102197 O\n0.098298 0.452255 0.160851 O\n0.547758 0.553389 0.839211 O\n0.547745 0.901702 0.839151 O\n0.896051 0.553384 0.839236 O\n0.876888 0.243428 0.636188 O\n0.853875 0.859518 0.102193 O\n",
"nsites": 27,
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"formula_full": "Ti1 Nb6 Tl2 O18",
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{
"id": "jvasp-120587",
"created_at": "2022-09-04T14:38:46.903561Z",
"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
"nsites": 22,
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"elements": [
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],
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"volume": 196.97890334710894,
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"formula_full": "Li3 Fe5 Co2 O12",
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{
"id": "jvasp-111952",
"created_at": "2022-09-04T14:38:41.902847Z",
"updated_at": "2022-09-04T14:38:41.902870Z",
"structure_string": "Li3 Mg1 Ni4 O8\n1.0\n5.032614 -0.017992 2.872763\n1.659577 4.751140 2.872763\n-0.025439 -0.017992 5.794768\nLi Mg Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mg\n0.499999 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.750821 0.266893 0.750821 O\n0.249179 0.733108 0.249178 O\n0.733107 0.249179 0.249178 O\n0.258773 0.258774 0.258773 O\n0.741226 0.741227 0.741226 O\n0.266892 0.750822 0.750821 O\n0.249178 0.249179 0.733108 O\n0.750821 0.750822 0.266892 O\n",
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"formula_full": "Li3 Mg1 Ni4 O8",
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{
"id": "jvasp-110556",
"created_at": "2022-09-04T14:38:39.011738Z",
"updated_at": "2022-09-04T14:38:39.011752Z",
"structure_string": "Nb3 Al1 V3 Sn1\n1.0\n5.097448 -0.041643 -0.053336\n-0.053461 5.097338 -0.053336\n-0.041547 -0.041643 5.097558\nNb Al V Sn\n3 1 3 1\ndirect\n0.738599 0.002545 0.503120 Nb\n0.002544 0.503121 0.738599 Nb\n0.503120 0.738599 0.002543 Nb\n0.490808 0.490809 0.490808 Al\n0.255813 0.983651 0.512194 V\n0.983651 0.512195 0.255812 V\n0.512194 0.255814 0.983650 V\n0.013272 0.013272 0.013272 Sn\n",
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"density_atomic": 0.060414842973810924,
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"volume_molar": 9.9679821440743,
"formula_full": "Nb3 Al1 V3 Sn1",
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"formula_anonymous": "ABC3D3",
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"spacegroup": 146
},
{
"id": "jvasp-119143",
"created_at": "2022-09-04T14:38:51.324887Z",
"updated_at": "2022-09-04T14:38:51.324914Z",
"structure_string": "Sr3 Nd1 Mn2 O8\n1.0\n6.753506 -0.037717 0.000000\n-4.527853 5.010968 0.000000\n-0.000000 -0.000000 5.448675\nSr Nd Mn O\n3 1 2 8\ndirect\n0.643930 0.356070 -0.000000 Sr\n0.358560 0.641440 -0.000000 Sr\n0.855503 0.144497 0.500000 Sr\n0.137552 0.862448 0.500000 Nd\n0.498644 0.501356 0.500000 Mn\n0.998403 0.001596 -0.000000 Mn\n0.843120 0.156880 -0.000000 O\n0.331291 0.668710 0.500000 O\n0.658541 0.341459 0.500000 O\n0.160139 0.839862 -0.000000 O\n0.249565 0.242406 0.255572 O\n0.757595 0.750435 0.744429 O\n0.249565 0.242406 0.744429 O\n0.757595 0.750435 0.255572 O\n",
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"formula_full": "Sr3 Nd1 Mn2 O8",
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{
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"created_at": "2022-09-04T14:38:42.637649Z",
"updated_at": "2022-09-04T14:38:42.637670Z",
"structure_string": "K4 Ba1 Nb5 O15\n1.0\n8.785292 0.000396 2.349109\n6.904177 5.432651 2.349109\n0.001511 0.000523 7.046322\nK Ba Nb O\n4 1 5 15\ndirect\n0.599807 0.599807 0.598402 K\n0.200691 0.200691 0.200546 K\n0.799309 0.799309 0.799454 K\n0.400192 0.400192 0.401598 K\n0.000000 0.000000 0.000000 Ba\n0.201426 0.201426 0.696618 Nb\n0.798574 0.798574 0.303383 Nb\n0.397948 0.397947 0.900327 Nb\n0.000000 -0.000000 0.500000 Nb\n0.602052 0.602053 0.099673 Nb\n0.702084 0.198345 0.702119 O\n0.099168 0.602583 0.099345 O\n0.500000 0.000000 0.500000 O\n0.700089 0.700090 0.200224 O\n0.099326 0.099325 0.602836 O\n0.500000 0.500000 0.000000 O\n0.602583 0.099168 0.099345 O\n0.299911 0.299910 0.799776 O\n0.801655 0.297916 0.297881 O\n0.198345 0.702084 0.702119 O\n0.297916 0.801655 0.297881 O\n0.000000 0.500000 0.500000 O\n0.397417 0.900832 0.900655 O\n0.900674 0.900675 0.397164 O\n0.900832 0.397416 0.900655 O\n",
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{
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"created_at": "2022-09-04T14:36:50.583641Z",
"updated_at": "2022-09-04T14:36:50.583671Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.864703 -0.049261 0.432993\n0.059459 6.558795 2.452150\n0.022234 -0.252173 9.778181\nSn H C O\n1 20 11 6\ndirect\n0.970591 0.631015 0.998281 Sn\n0.493758 0.861650 0.406558 H\n0.643341 0.410222 0.183931 H\n0.193224 0.815534 0.527990 H\n0.934358 0.005504 0.292135 H\n0.038877 0.753055 0.319123 H\n0.431207 0.097040 0.144930 H\n0.150005 0.037600 0.062915 H\n0.725578 0.167412 0.436407 H\n0.467393 0.500761 0.402812 H\n0.296581 0.848061 0.809107 H\n0.098698 0.163389 0.483901 H\n0.544843 0.067577 0.609251 H\n0.931516 0.487104 0.479285 H\n0.713096 0.622778 0.568553 H\n0.323770 0.401657 0.582687 H\n0.463447 0.187357 0.822037 H\n0.728664 0.188275 0.933498 H\n0.021098 0.407153 0.735600 H\n0.930417 0.189239 0.698504 H\n0.293171 0.242135 0.316175 H\n0.630140 0.280420 0.835692 C\n0.849684 0.333865 0.707127 C\n0.756679 0.469848 0.562134 C\n0.507696 0.394513 0.510744 C\n0.292226 0.133369 0.427594 C\n0.115697 0.906581 0.299213 C\n0.286782 0.976484 0.151034 C\n0.282779 0.917258 0.422229 C\n0.443547 0.806281 0.118223 C\n0.500658 0.456072 0.873694 C\n0.532595 0.180970 0.500230 C\n0.704057 0.825307 0.086066 O\n0.112200 0.880192 0.844746 O\n0.828944 0.379750 0.148845 O\n0.640311 0.613117 0.864143 O\n0.243656 0.439704 0.915779 O\n0.316745 0.645349 0.123979 O\n",
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],
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"volume": 314.9528960834116,
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"formula_full": "Sn1 H20 C11 O6",
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},
{
"id": "jvasp-105055",
"created_at": "2022-09-04T14:36:50.539005Z",
"updated_at": "2022-09-04T14:36:50.539024Z",
"structure_string": "Rb2 Dy1 Cu1 Cl6\n1.0\n6.292473 -0.000000 3.632961\n2.097491 5.932601 3.632961\n-0.000000 -0.000000 7.265922\nRb Dy Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.745245 0.254755 0.254755 Cl\n0.254755 0.254755 0.745245 Cl\n0.254755 0.745245 0.745245 Cl\n0.254755 0.745245 0.254755 Cl\n0.745245 0.254755 0.745245 Cl\n0.745244 0.745245 0.254755 Cl\n",
"nsites": 10,
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"formula_full": "Rb2 Dy1 Cu1 Cl6",
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{
"id": "jvasp-102427",
"created_at": "2022-09-04T14:36:50.555452Z",
"updated_at": "2022-09-04T14:36:50.555473Z",
"structure_string": "Rb2 Li1 Ta1 F6\n1.0\n5.139528 -0.000000 2.967308\n1.713176 4.845594 2.967308\n-0.000000 -0.000000 5.934616\nRb Li Ta F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ta\n0.250379 0.250378 0.749622 F\n0.250379 0.749621 0.749622 F\n0.749623 0.749621 0.250379 F\n0.250379 0.749621 0.250379 F\n0.749622 0.250378 0.749622 F\n0.749622 0.250378 0.250379 F\n",
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{
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"created_at": "2022-09-04T14:36:56.118528Z",
"updated_at": "2022-09-04T14:36:56.118555Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.876379 0.114344 0.305025\n1.738024 4.387864 0.236757\n-0.359835 0.247440 14.610310\nZn H C O\n1 16 10 4\ndirect\n0.201789 0.945329 0.165914 Zn\n0.263772 0.180822 0.525480 H\n0.407663 0.684388 0.949372 H\n0.919001 0.825865 0.952659 H\n0.313565 0.694544 0.766270 H\n0.831704 0.787131 0.787354 H\n0.175753 0.685212 0.590724 H\n0.704861 0.755017 0.620817 H\n0.014601 0.653843 0.418676 H\n0.553141 0.706819 0.454173 H\n0.462631 0.215035 0.869761 H\n0.981824 0.304689 0.887420 H\n0.386254 0.205575 0.694387 H\n0.915293 0.274226 0.722699 H\n0.127985 0.133160 0.359640 H\n0.684280 0.167611 0.400383 H\n0.801600 0.237191 0.559748 H\n0.171358 0.457808 0.048131 C\n0.172285 0.609816 0.953814 C\n0.187261 0.409832 0.873847 C\n0.106882 0.591314 0.781864 C\n0.104973 0.391476 0.703261 C\n0.839173 0.530410 0.444283 C\n0.979557 0.361188 0.535996 C\n0.842501 0.304729 0.373217 C\n0.674536 0.439207 0.281487 C\n0.986267 0.569398 0.611701 C\n0.054655 0.625341 0.117402 O\n0.721955 0.258243 0.216410 O\n0.476195 0.729771 0.275087 O\n0.278379 0.163561 0.053081 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7932658087716349,
"density_atomic": 0.12602675285368647,
"volume": 245.9795186184804,
"volume_molar": 4.778462210314612,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538483690322581,
"spacegroup": 1
}
]
}