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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1041",
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"results": [
{
"id": "jvasp-29832",
"created_at": "2022-09-04T14:37:36.789695Z",
"updated_at": "2022-09-04T14:37:36.789720Z",
"structure_string": "As12 H4 O24\n1.0\n11.021712 0.000000 -6.254784\n0.000000 4.620454 0.000000\n-0.220549 0.000000 11.251620\nAs H O\n12 4 24\ndirect\n0.953902 0.213867 0.633035 As\n0.046098 0.713867 0.866965 As\n0.046098 0.786132 0.366965 As\n0.953902 0.286133 0.133035 As\n0.443189 0.537334 0.634445 As\n0.556811 0.037335 0.865555 As\n0.556811 0.462665 0.365555 As\n0.443189 0.962664 0.134445 As\n0.240703 0.360049 0.721105 As\n0.759297 0.860048 0.778895 As\n0.759297 0.639951 0.278895 As\n0.240703 0.139951 0.221105 As\n0.275118 0.674675 0.319283 H\n0.724882 0.174675 0.180717 H\n0.724882 0.325324 0.680717 H\n0.275118 0.825324 0.819283 H\n0.664222 0.593592 0.678499 O\n0.335778 0.093592 0.821501 O\n0.233140 0.868389 0.323982 O\n0.766860 0.368389 0.176019 O\n0.766860 0.131610 0.676019 O\n0.233140 0.631610 0.823982 O\n0.486986 0.336203 0.185410 O\n0.513014 0.836203 0.314590 O\n0.513014 0.663796 0.814590 O\n0.486986 0.163796 0.685410 O\n0.282080 0.987828 0.109244 O\n0.045026 0.417316 0.311547 O\n0.717920 0.012171 0.890756 O\n0.282080 0.512170 0.609244 O\n0.091950 0.259672 0.108725 O\n0.908050 0.759671 0.391275 O\n0.908050 0.740327 0.891275 O\n0.091950 0.240328 0.608725 O\n0.664222 0.906407 0.178500 O\n0.954974 0.917316 0.188453 O\n0.954974 0.582683 0.688453 O\n0.045026 0.082683 0.811547 O\n0.717920 0.487829 0.390756 O\n0.335778 0.406407 0.321501 O\n",
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"formula_full": "As12 H4 O24",
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"spacegroup": 14
},
{
"id": "jvasp-94990",
"created_at": "2022-09-04T14:36:09.102720Z",
"updated_at": "2022-09-04T14:36:09.102747Z",
"structure_string": "Ga2 Co1 S4\n1.0\n4.784623 0.000001 -2.158561\n-0.973827 4.684472 -2.158560\n0.009943 0.012221 6.404067\nGa Co S\n2 1 4\ndirect\n0.499999 0.500000 -0.000000 Ga\n0.249999 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.872549 0.892558 0.257047 S\n0.384495 0.364487 0.257047 S\n0.635512 0.127449 0.742953 S\n0.107440 0.615503 0.742953 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Co",
"S"
],
"chemical_system": "Co-Ga-S",
"density": 3.7721589830913693,
"density_atomic": 0.04868224911339103,
"volume": 143.78957684751893,
"volume_molar": 12.370301022808514,
"formula_full": "Ga2 Co1 S4",
"formula_reduced": "Ga2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5443122214285712,
"spacegroup": 82
},
{
"id": "jvasp-33040",
"created_at": "2022-09-04T14:37:34.034216Z",
"updated_at": "2022-09-04T14:37:34.034255Z",
"structure_string": "Al4 Bi4 Se4 Cl16\n1.0\n9.686879 -0.029973 -3.064041\n-5.205542 8.169463 -3.064098\n0.016537 0.029965 10.159943\nAl Bi Se Cl\n4 4 4 16\ndirect\n0.145576 0.020612 0.730790 Al\n0.979388 0.710178 0.124964 Al\n0.289821 0.414785 0.269209 Al\n0.585216 0.854424 0.875035 Al\n0.787887 0.190069 0.721272 Bi\n0.468797 0.066615 0.278729 Bi\n0.809933 0.531204 0.597818 Bi\n0.933386 0.212114 0.402182 Bi\n0.735468 0.327544 0.294657 Se\n0.672457 0.967114 0.407924 Se\n0.032887 0.440810 0.705342 Se\n0.559190 0.264533 0.592077 Se\n0.194117 0.503388 0.417149 Cl\n0.554280 0.571285 0.382275 Cl\n0.032997 0.778484 0.955349 Cl\n0.360358 0.141015 0.950920 Cl\n0.827996 0.445721 0.017006 Cl\n0.858985 0.809905 0.219342 Cl\n0.086239 0.776968 0.582851 Cl\n0.223033 0.805883 0.309271 Cl\n0.922354 0.967004 0.745487 Cl\n0.190095 0.409437 0.049080 Cl\n0.189010 0.172004 0.617725 Cl\n0.221517 0.176868 0.254513 Cl\n0.590564 0.639644 0.780658 Cl\n0.496613 0.913761 0.690728 Cl\n0.823133 0.077646 0.044650 Cl\n0.428715 0.810990 0.982995 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Al",
"Bi",
"Se",
"Cl"
],
"chemical_system": "Al-Bi-Cl-Se",
"density": 3.772219831838578,
"density_atomic": 0.03481630293937638,
"volume": 804.2209435262206,
"volume_molar": 17.296899014481827,
"formula_full": "Al4 Bi4 Se4 Cl16",
"formula_reduced": "AlBiSeCl4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-117634",
"created_at": "2022-09-04T14:38:44.555913Z",
"updated_at": "2022-09-04T14:38:44.555930Z",
"structure_string": "Be1 V1 Br1\n1.0\n4.460158 0.665988 0.000000\n0.456896 4.770280 0.000000\n0.000000 0.000000 2.935606\nBe V Br\n1 1 1\ndirect\n0.394150 0.002538 0.000000 Be\n-0.081811 -0.115749 0.000000 V\n-0.056183 0.385238 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"V",
"Br"
],
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"density": 3.772242143803971,
"density_atomic": 0.048728763812864076,
"volume": 61.565280242303615,
"volume_molar": 12.358492784933311,
"formula_full": "Be1 V1 Br1",
"formula_reduced": "BeVBr",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-8052",
"created_at": "2022-09-04T14:36:33.525174Z",
"updated_at": "2022-09-04T14:36:33.525206Z",
"structure_string": "Ga2 Co1 S4\n1.0\n4.785217 -0.000001 -2.158829\n-0.973946 4.685054 -2.158829\n0.009187 0.011294 6.403186\nGa Co S\n2 1 4\ndirect\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.749999 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.872549 0.892558 0.257063 S\n0.635495 0.127450 0.742937 S\n0.107441 0.615483 0.742936 S\n0.384515 0.364505 0.257064 S\n",
"nsites": 7,
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"elements": [
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"Co",
"S"
],
"chemical_system": "Co-Ga-S",
"density": 3.7722433938269395,
"density_atomic": 0.048683338490714545,
"volume": 143.78635929693115,
"volume_molar": 12.370024215057914,
"formula_full": "Ga2 Co1 S4",
"formula_reduced": "Ga2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5443093642857142,
"spacegroup": 82
},
{
"id": "jvasp-88869",
"created_at": "2022-09-04T14:36:03.909562Z",
"updated_at": "2022-09-04T14:36:03.909571Z",
"structure_string": "Zn8 B3 H3 O14\n1.0\n6.864912 -0.056522 3.198423\n2.015522 6.562613 3.198423\n-0.077150 -0.056522 7.573042\nZn B H O\n8 3 3 14\ndirect\n0.407402 0.407403 0.407402 Zn\n0.516879 0.770383 0.956573 Zn\n0.770382 0.956574 0.516879 Zn\n0.483121 0.043427 0.229617 Zn\n0.956573 0.516880 0.770382 Zn\n0.229617 0.483121 0.043426 Zn\n0.592597 0.592598 0.592597 Zn\n0.043426 0.229617 0.483121 Zn\n0.797528 0.500000 0.202471 B\n0.202471 0.797529 0.500000 B\n0.500000 0.202472 0.797528 B\n0.862836 0.000000 0.137163 H\n0.137164 0.862836 -0.000000 H\n-0.000000 0.137164 0.862836 H\n0.610299 0.541646 0.181948 O\n0.745003 0.000000 0.254996 O\n0.704299 0.704300 0.704299 O\n-0.000000 0.254997 0.745003 O\n0.458353 0.389701 0.818051 O\n0.389700 0.818051 0.458353 O\n0.032741 0.967259 0.500000 O\n0.541646 0.181949 0.610299 O\n0.254996 0.745003 -0.000000 O\n0.181948 0.610300 0.541646 O\n0.818051 0.458354 0.389700 O\n0.967259 0.500000 0.032741 O\n0.295700 0.295700 0.295700 O\n0.500000 0.032742 0.967258 O\n",
"nsites": 28,
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"elements": [
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"B",
"H",
"O"
],
"chemical_system": "B-H-O-Zn",
"density": 3.7722587477034266,
"density_atomic": 0.08126503825600118,
"volume": 344.5516128571106,
"volume_molar": 7.410493970394807,
"formula_full": "Zn8 B3 H3 O14",
"formula_reduced": "Zn8B3H3O14",
"formula_anonymous": "A3B3C8D14",
"energy_above_hull": 1.8751599982142857,
"spacegroup": 155
},
{
"id": "jvasp-59041",
"created_at": "2022-09-04T14:38:36.014975Z",
"updated_at": "2022-09-04T14:38:36.014987Z",
"structure_string": "Na8 Mn8 Se12\n1.0\n6.817322 0.014772 2.446672\n3.361555 9.779207 1.144312\n0.060287 -0.145229 10.402773\nNa Mn Se\n8 8 12\ndirect\n0.356929 0.191133 0.021843 Na\n0.143070 0.978158 0.808866 Na\n0.643070 0.808867 0.978157 Na\n0.856929 0.021842 0.191133 Na\n0.250000 0.280349 0.719651 Na\n0.749999 0.719651 0.280349 Na\n0.250000 0.569458 0.430542 Na\n0.750000 0.430542 0.569458 Na\n0.203089 0.634161 0.786428 Mn\n0.296911 0.213571 0.365839 Mn\n0.703089 0.786429 0.634160 Mn\n0.796910 0.365839 0.213571 Mn\n0.758040 0.082224 0.554881 Mn\n0.258040 0.554882 0.082225 Mn\n0.241959 0.917775 0.445118 Mn\n0.741960 0.445118 0.917775 Mn\n0.566425 0.279676 0.429950 Se\n0.450566 0.996240 0.224757 Se\n0.049433 0.775243 0.003760 Se\n0.549434 0.003759 0.775243 Se\n0.950567 0.224757 0.996240 Se\n0.448764 0.413697 0.852378 Se\n0.051236 0.147622 0.586303 Se\n0.551236 0.586303 0.147622 Se\n0.948763 0.852378 0.413697 Se\n0.433575 0.720324 0.570050 Se\n0.066424 0.429950 0.279676 Se\n0.933575 0.570050 0.720324 Se\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.7723267005045713,
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"volume": 691.512592461684,
"volume_molar": 14.872807746845629,
"formula_full": "Na8 Mn8 Se12",
"formula_reduced": "Na2Mn2Se3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.7328632261083747,
"spacegroup": 15
},
{
"id": "jvasp-58860",
"created_at": "2022-09-04T14:38:17.185772Z",
"updated_at": "2022-09-04T14:38:17.185806Z",
"structure_string": "Na8 Ge4 Se10\n1.0\n7.060328 -0.017380 -0.005340\n1.146508 8.036325 0.009765\n3.497068 2.556721 9.804158\nNa Ge Se\n8 4 10\ndirect\n0.204154 -0.000171 0.592397 Na\n0.795847 0.000171 0.407603 Na\n0.912021 0.520036 0.685347 Na\n0.087979 0.479963 0.314653 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.272643 0.490626 0.896321 Na\n0.727357 0.509373 0.103679 Na\n0.617829 0.840974 0.832690 Ge\n0.382172 0.159025 0.167311 Ge\n0.425721 0.842801 0.230517 Ge\n0.574279 0.157198 0.769484 Ge\n0.253750 0.246395 0.744213 Se\n0.054751 0.245781 0.154230 Se\n0.945250 0.754218 0.845771 Se\n0.647572 0.259119 0.947416 Se\n0.352429 0.740880 0.052584 Se\n0.839314 0.252010 0.568402 Se\n0.160687 0.747989 0.431599 Se\n0.537523 0.744881 0.668941 Se\n0.462477 0.255118 0.331059 Se\n0.746251 0.753604 0.255787 Se\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Ge-Na-Se",
"density": 3.7723413588724326,
"density_atomic": 0.039537630879080396,
"volume": 556.4319234828088,
"volume_molar": 15.231415302595561,
"formula_full": "Na8 Ge4 Se10",
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"formula_anonymous": "A2B4C5",
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"spacegroup": 2
},
{
"id": "jvasp-13381",
"created_at": "2022-09-04T14:38:04.869504Z",
"updated_at": "2022-09-04T14:38:04.869524Z",
"structure_string": "Na8 Ge4 Se10\n1.0\n7.060311 -0.017385 -0.005334\n1.146499 8.036302 0.009734\n3.497065 2.556672 9.804119\nNa Ge Se\n8 4 10\ndirect\n0.204156 -0.000171 0.592400 Na\n0.795844 0.000170 0.407601 Na\n0.912017 0.520033 0.685342 Na\n0.087983 0.479966 0.314658 Na\n0.500000 0.499999 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.272645 0.490624 0.896321 Na\n0.727356 0.509375 0.103680 Na\n0.617828 0.840974 0.832688 Ge\n0.382173 0.159025 0.167312 Ge\n0.425718 0.842798 0.230517 Ge\n0.574282 0.157200 0.769483 Ge\n0.253749 0.246403 0.744217 Se\n0.054752 0.245785 0.154228 Se\n0.945249 0.754214 0.845772 Se\n0.647581 0.259118 0.947416 Se\n0.352419 0.740881 0.052584 Se\n0.839318 0.252006 0.568397 Se\n0.160683 0.747993 0.431603 Se\n0.537522 0.744877 0.668939 Se\n0.462479 0.255122 0.331062 Se\n0.746251 0.753596 0.255783 Se\n",
"nsites": 22,
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],
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"density": 3.772373063458779,
"density_atomic": 0.03953796317250585,
"volume": 556.4272469983606,
"volume_molar": 15.231287291470068,
"formula_full": "Na8 Ge4 Se10",
"formula_reduced": "Na4Ge2Se5",
"formula_anonymous": "A2B4C5",
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"spacegroup": 2
},
{
"id": "jvasp-72184",
"created_at": "2022-09-04T14:36:05.036428Z",
"updated_at": "2022-09-04T14:36:05.036438Z",
"structure_string": "Mg2 Be1 Nb1\n1.0\n3.942828 0.000000 -0.000000\n0.000000 3.942828 0.000000\n0.000000 0.000000 4.262049\nMg Be Nb\n2 1 1\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
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"elements": [
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"Be",
"Nb"
],
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"density": 3.772540473820403,
"density_atomic": 0.0603706551424963,
"volume": 66.25735617012225,
"volume_molar": 9.975278131048267,
"formula_full": "Mg2 Be1 Nb1",
"formula_reduced": "Mg2BeNb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4666434,
"spacegroup": 123
},
{
"id": "jvasp-70587",
"created_at": "2022-09-04T14:36:20.056194Z",
"updated_at": "2022-09-04T14:36:20.056218Z",
"structure_string": "Be2 Zn1 Si1\n1.0\n3.242110 0.000000 0.000000\n0.000000 3.242110 0.000000\n0.000000 0.000000 4.669109\nBe Zn Si\n2 1 1\ndirect\n0.000000 0.000000 0.265583 Be\n0.000000 0.000000 0.734417 Be\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.7731835308205386,
"density_atomic": 0.08150241682435912,
"volume": 49.07829921927537,
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"formula_full": "Be2 Zn1 Si1",
"formula_reduced": "Be2ZnSi",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-43423",
"created_at": "2022-09-04T14:38:06.451270Z",
"updated_at": "2022-09-04T14:38:06.451304Z",
"structure_string": "Li4 Ti2 Mn4 O12\n1.0\n5.089654 0.205443 0.000000\n-2.380117 4.503534 0.000000\n0.000000 0.000000 10.061222\nLi Ti Mn O\n4 2 4 12\ndirect\n0.095834 0.595834 0.750000 Li\n0.404164 0.904164 0.250000 Li\n0.595834 0.095835 0.750000 Li\n0.904164 0.404164 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500000 Ti\n0.164700 0.835298 0.500000 Mn\n0.335298 0.664700 0.000000 Mn\n0.664700 0.335299 0.000000 Mn\n0.835298 0.164700 0.500000 Mn\n0.553781 0.207699 0.387142 O\n0.829245 0.829246 0.409301 O\n0.292299 0.946217 0.887142 O\n0.670752 0.670752 0.909301 O\n0.329246 0.329246 0.090699 O\n0.053781 0.707699 0.112858 O\n0.446217 0.792299 0.612858 O\n0.207699 0.553782 0.387142 O\n0.946217 0.292299 0.887142 O\n0.792299 0.446217 0.612858 O\n0.170753 0.170753 0.590699 O\n0.707699 0.053782 0.112858 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.09340345957146234,
"volume": 235.53731415235163,
"volume_molar": 6.447449363899098,
"formula_full": "Li4 Ti2 Mn4 O12",
"formula_reduced": "Li2TiMn2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.889612165099268,
"spacegroup": 64
}
]
}