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"results": [
{
"id": "jvasp-26735",
"created_at": "2022-09-04T14:38:29.080775Z",
"updated_at": "2022-09-04T14:38:29.080796Z",
"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
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{
"id": "jvasp-112184",
"created_at": "2022-09-04T14:38:45.246007Z",
"updated_at": "2022-09-04T14:38:45.246038Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.819669 0.064400 0.186068\n0.762545 4.297714 0.307606\n0.176794 0.019628 15.959239\nCd H C O\n1 18 11 4\ndirect\n0.121267 0.085517 0.853915 Cd\n0.715342 0.369603 0.482329 H\n0.507913 0.844469 0.564669 H\n0.648126 0.884868 0.130242 H\n-0.016344 0.898675 0.249246 H\n0.416396 0.877176 0.283955 H\n0.747502 0.890322 0.406166 H\n0.184509 0.860366 0.439142 H\n0.151355 0.341179 0.514965 H\n0.229038 0.878692 0.091322 H\n0.472665 0.369519 0.026937 H\n0.888590 0.355288 0.069093 H\n0.193259 0.388011 0.180239 H\n0.623994 0.373113 0.214674 H\n0.942013 0.393200 0.331250 H\n0.377826 0.364173 0.364272 H\n0.521062 0.298345 0.632489 H\n0.950454 0.285795 0.664513 H\n0.946979 0.825096 0.596108 H\n0.766567 0.687910 0.966566 C\n0.651770 0.517148 0.046035 C\n0.472293 0.727159 0.114998 C\n0.381107 0.536247 0.194759 C\n0.225816 0.732983 0.268425 C\n0.759777 0.682708 0.578035 C\n0.990439 0.720785 0.422896 C\n0.906648 0.510803 0.499396 C\n0.700552 0.448755 0.650760 C\n0.536331 0.571974 0.733386 C\n0.136173 0.534046 0.346742 C\n0.603779 0.965980 0.946079 O\n0.594868 0.387088 0.799611 O\n0.333637 0.839659 0.733817 O\n0.037422 0.562211 0.922152 O\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "C-Cd-H-O",
"density": 2.0780024958155856,
"density_atomic": 0.13024698199228865,
"volume": 261.0425169161539,
"volume_molar": 4.623631709452234,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
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"spacegroup": 1
},
{
"id": "jvasp-8601",
"created_at": "2022-09-04T14:37:04.878266Z",
"updated_at": "2022-09-04T14:37:04.878284Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.400030 0.068506\n3.397076 0.000000 0.000000\n0.000000 -1.472798 -5.563342\nNa H O\n2 2 2\ndirect\n0.330691 0.750001 0.178471 Na\n0.669308 0.250000 0.821528 Na\n0.033467 0.750001 0.586172 H\n0.966532 0.250000 0.413827 H\n0.852782 0.250000 0.238688 O\n0.147217 0.750001 0.761311 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.078292429246051,
"density_atomic": 0.09387505581518796,
"volume": 63.91474229120262,
"volume_molar": 6.4150595786124525,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
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"spacegroup": 11
},
{
"id": "jvasp-112030",
"created_at": "2022-09-04T14:38:41.935612Z",
"updated_at": "2022-09-04T14:38:41.935639Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.057300 0.235281 0.158963\n1.441686 4.134755 0.902341\n0.308391 0.207759 10.236466\nZn H C O\n1 8 6 4\ndirect\n0.812364 0.031039 0.223845 Zn\n0.468331 0.620007 0.528730 H\n-0.001392 0.745477 0.518969 H\n0.516257 0.035910 0.641526 H\n0.504948 0.433326 0.780247 H\n0.528036 0.845794 0.885763 H\n0.066898 0.014725 0.908935 H\n0.047459 0.176837 0.643423 H\n0.036583 0.577356 0.785660 H\n0.394958 0.118149 0.032300 C\n0.305316 0.074601 0.899222 C\n0.277922 0.357810 0.778502 C\n0.299086 0.412345 0.393417 C\n0.251205 0.533169 0.522929 C\n0.272874 0.254866 0.646363 C\n0.603367 0.269490 0.035332 O\n0.059996 0.536534 0.301663 O\n0.595955 0.172070 0.386113 O\n0.307531 0.966804 0.143239 O\n",
"nsites": 19,
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"elements": [
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"density_atomic": 0.11349795296388511,
"volume": 167.40390028043743,
"volume_molar": 5.3059465855884085,
"formula_full": "Zn1 H8 C6 O4",
"formula_reduced": "ZnH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
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"spacegroup": 1
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{
"id": "jvasp-98174",
"created_at": "2022-09-04T14:35:48.308207Z",
"updated_at": "2022-09-04T14:35:48.308239Z",
"structure_string": "Na8 Li4 Al4 P8\n1.0\n5.773610 0.000000 0.000000\n-0.000000 8.803502 -1.418024\n0.000000 0.009024 8.916970\nNa Li Al P\n8 4 4 8\ndirect\n0.713077 0.820944 0.179056 Na\n0.286923 0.179055 0.820944 Na\n0.250000 0.067805 0.432195 Na\n0.250000 0.567805 0.932195 Na\n0.750000 0.932194 0.567806 Na\n0.786923 0.320944 0.679056 Na\n0.213077 0.679055 0.320944 Na\n0.750000 0.432195 0.067805 Na\n0.500000 0.881477 0.881478 Li\n0.000000 0.618522 0.618522 Li\n0.500000 0.118522 0.118522 Li\n0.000000 0.381478 0.381478 Li\n0.000000 0.870060 0.870061 Al\n0.000000 0.129939 0.129939 Al\n0.500000 0.370061 0.370061 Al\n0.500000 0.629939 0.629939 Al\n0.250000 0.852405 0.647595 P\n0.214721 0.895219 0.104781 P\n0.285279 0.395219 0.604781 P\n0.785279 0.104780 0.895219 P\n0.714721 0.604780 0.395220 P\n0.750000 0.147594 0.352406 P\n0.250000 0.352405 0.147594 P\n0.750000 0.647594 0.852406 P\n",
"nsites": 24,
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"elements": [
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"Al",
"P"
],
"chemical_system": "Al-Li-Na-P",
"density": 2.0784816884830923,
"density_atomic": 0.05294442506892091,
"volume": 453.3055174129811,
"volume_molar": 11.374456804773347,
"formula_full": "Na8 Li4 Al4 P8",
"formula_reduced": "Na2LiAlP2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 64
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{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Fe-Mg-Rb",
"density": 2.0786104965120438,
"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
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"formula_full": "Rb1 Mg6 Fe1",
"formula_reduced": "RbMg6Fe",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-112335",
"created_at": "2022-09-04T14:38:26.338084Z",
"updated_at": "2022-09-04T14:38:26.338100Z",
"structure_string": "Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n",
"nsites": 14,
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"formula_full": "Ca2 Ga2 H10",
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{
"id": "jvasp-74438",
"created_at": "2022-09-04T14:35:43.790017Z",
"updated_at": "2022-09-04T14:35:43.790045Z",
"structure_string": "K1 Be2 Si1\n1.0\n-2.291524 2.291524 3.240169\n2.291524 -2.291524 3.240169\n2.291524 2.291524 -3.240169\nK Be Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Si\n",
"nsites": 4,
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],
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"volume": 68.05757559538092,
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"formula_full": "K1 Be2 Si1",
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:38:47.089141Z",
"updated_at": "2022-09-04T14:38:47.089170Z",
"structure_string": "Be2 Cl1\n1.0\n4.246829 0.000000 -0.000000\n-2.123414 3.677861 0.000000\n0.000000 0.000000 2.734653\nBe Cl\n2 1\ndirect\n0.333333 0.666666 0.000000 Be\n0.666667 0.333333 0.000000 Be\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-123577",
"created_at": "2022-09-04T14:38:54.933465Z",
"updated_at": "2022-09-04T14:38:54.933482Z",
"structure_string": "He1 P3\n1.0\n3.025548 -0.000000 -0.968818\n-0.159319 5.277073 -0.497542\n-0.084618 -0.662523 4.944432\nHe P\n1 3\ndirect\n0.360879 -0.051863 0.721758 He\n0.662441 0.162765 0.324881 P\n0.098617 0.409603 0.197234 P\n0.878063 0.479494 0.756126 P\n",
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{
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"created_at": "2022-09-04T14:38:46.122268Z",
"updated_at": "2022-09-04T14:38:46.122282Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.988001 0.054911 0.806480\n0.787536 4.336349 0.360532\n0.232934 0.308282 13.881708\nCd H C O\n1 14 9 4\ndirect\n0.187647 0.340570 0.171143 Cd\n0.663120 0.533267 0.612429 H\n0.116769 0.027602 0.883399 H\n0.736907 0.079721 0.837001 H\n0.480561 0.028462 0.702990 H\n0.091152 0.100157 0.661032 H\n0.272584 0.613635 0.571144 H\n0.846464 0.996069 0.517909 H\n-0.003237 0.514811 0.969414 H\n0.629461 0.558758 0.920609 H\n0.340662 0.534200 0.793340 H\n0.960059 0.591395 0.747561 H\n0.892292 0.509522 0.425021 H\n0.505276 0.696712 0.385126 H\n0.436356 0.128693 0.488548 H\n0.576506 0.853609 0.034451 C\n0.794364 0.692192 0.944946 C\n0.944322 0.902140 0.859169 C\n0.136775 0.715811 0.770545 C\n0.622650 0.919233 0.502618 C\n0.464309 0.724822 0.592058 C\n0.728780 0.733356 0.411250 C\n0.799365 0.134475 0.279016 C\n0.293205 0.912646 0.681881 C\n0.441932 0.137831 0.023147 O\n0.487880 0.233231 0.303142 O\n0.948459 0.881432 0.328703 O\n0.534173 0.699924 0.119084 O\n",
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],
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"formula_full": "Cd1 H14 C9 O4",
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{
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"created_at": "2022-09-04T14:36:06.362214Z",
"updated_at": "2022-09-04T14:36:06.362233Z",
"structure_string": "Be3 F6\n1.0\n4.910016 0.000000 -0.000000\n-2.455008 4.252198 0.000000\n-0.000000 0.000000 5.392587\nBe F\n3 6\ndirect\n-0.000000 0.500000 0.666667 Be\n0.500000 0.000000 0.000000 Be\n0.500000 0.500000 0.333333 Be\n0.791020 0.582041 0.500000 F\n0.208980 0.791020 0.833333 F\n0.791020 0.208980 0.833333 F\n0.417960 0.208980 0.166667 F\n0.582041 0.791020 0.166667 F\n0.208980 0.417960 0.500000 F\n",
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"formula_full": "Be3 F6",
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"spacegroup": 180
}
]
}