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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=671",
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"results": [
{
"id": "jvasp-27714",
"created_at": "2022-09-04T14:36:59.919641Z",
"updated_at": "2022-09-04T14:36:59.919667Z",
"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160757 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700089\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750001 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
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{
"id": "jvasp-60669",
"created_at": "2022-09-04T14:37:00.273017Z",
"updated_at": "2022-09-04T14:37:00.273044Z",
"structure_string": "U2 B4 O12\n1.0\n4.083821 0.000000 0.962545\n1.925966 6.259766 0.973196\n0.041394 0.043204 8.968932\nU B O\n2 4 12\ndirect\n0.767666 0.750000 0.250001 U\n0.232334 0.250000 0.750000 U\n0.159428 0.148698 0.249657 B\n0.557785 0.351302 0.250343 B\n0.840571 0.851302 0.750343 B\n0.442215 0.648698 0.749658 B\n0.146819 0.226549 0.958414 O\n0.331784 0.273451 0.541586 O\n0.647379 0.448142 0.759066 O\n0.854587 0.051857 0.740935 O\n0.145413 0.948143 0.259066 O\n0.511612 0.834557 0.765661 O\n0.111830 0.665443 0.734340 O\n0.488388 0.165443 0.234340 O\n0.888170 0.334557 0.265661 O\n0.668216 0.726549 0.458414 O\n0.853180 0.773451 0.041587 O\n0.352621 0.551858 0.240935 O\n",
"nsites": 18,
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"spacegroup": 15
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{
"id": "jvasp-8733",
"created_at": "2022-09-04T14:37:05.810302Z",
"updated_at": "2022-09-04T14:37:05.810324Z",
"structure_string": "Na2 Cl2 O4\n1.0\n4.315040 0.004390 1.523744\n-0.399912 4.296471 1.523744\n0.054969 0.060385 6.426104\nNa Cl O\n2 2 4\ndirect\n0.371304 0.628697 0.249999 Na\n0.628697 0.371304 0.749998 Na\n0.145735 0.854266 0.749998 Cl\n0.854266 0.145735 0.249999 Cl\n0.153757 0.570161 0.659935 O\n0.429840 0.846244 0.840062 O\n0.846244 0.429840 0.340062 O\n0.570161 0.153757 0.159936 O\n",
"nsites": 8,
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"density_atomic": 0.06759362844553708,
"volume": 118.35435060933182,
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"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-21296",
"created_at": "2022-09-04T14:37:00.408804Z",
"updated_at": "2022-09-04T14:37:00.408838Z",
"structure_string": "Ca2 Ti2 Si4 O12\n1.0\n5.029304 -0.071578 0.959845\n1.073100 6.645075 0.771951\n-0.163521 0.195257 6.770496\nCa Ti Si O\n2 2 4 12\ndirect\n0.750000 0.301366 0.698635 Ca\n0.250001 0.698633 0.301368 Ca\n0.249999 0.070716 0.929286 Ti\n0.749999 0.929285 0.070715 Ti\n0.272637 0.195233 0.392709 Si\n0.227362 0.607292 0.804768 Si\n0.772637 0.392708 0.195234 Si\n0.727363 0.804767 0.607293 Si\n0.653179 0.966071 0.771148 O\n0.846821 0.228852 0.033929 O\n0.672249 0.623070 0.117513 O\n0.827749 0.882488 0.376930 O\n0.327750 0.376928 0.882488 O\n0.972274 0.618776 0.673956 O\n0.027725 0.381223 0.326046 O\n0.472275 0.673954 0.618779 O\n0.346820 0.033929 0.228853 O\n0.527725 0.326046 0.381223 O\n0.172250 0.117511 0.623072 O\n0.153180 0.771148 0.966072 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.08799494617872519,
"volume": 227.28578024672356,
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"formula_full": "Ca2 Ti2 Si4 O12",
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{
"id": "jvasp-51394",
"created_at": "2022-09-04T14:37:00.743700Z",
"updated_at": "2022-09-04T14:37:00.743728Z",
"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.45737932358562,
"density_atomic": 0.0831989918048997,
"volume": 264.42628116924357,
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"formula_full": "Cd4 H4 S2 O12",
"formula_reduced": "Cd2H2SO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8284154999999995,
"spacegroup": 15
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{
"id": "jvasp-10554",
"created_at": "2022-09-04T14:37:01.301860Z",
"updated_at": "2022-09-04T14:37:01.301880Z",
"structure_string": "Sb2 P2 O10\n1.0\n5.096677 -0.013373 -1.493411\n-1.374557 4.907839 -1.493411\n0.002852 0.003750 7.104310\nSb P O\n2 2 10\ndirect\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.332933 0.667067 0.250000 P\n0.667067 0.332933 0.750000 P\n0.260580 0.375475 0.093354 O\n0.624525 0.739420 0.406646 O\n0.739420 0.624526 0.906646 O\n0.375475 0.260580 0.593354 O\n0.095877 0.904123 0.750000 O\n0.904123 0.095878 0.250000 O\n0.128514 0.681433 0.368895 O\n0.318567 0.871486 0.131105 O\n0.871486 0.318568 0.631105 O\n0.681433 0.128515 0.868895 O\n",
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"density_atomic": 0.07881485997089283,
"volume": 177.63147717537467,
"volume_molar": 7.640869706834525,
"formula_full": "Sb2 P2 O10",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-13069",
"created_at": "2022-09-04T14:37:01.040861Z",
"updated_at": "2022-09-04T14:37:01.040881Z",
"structure_string": "Na6 B2 S6\n1.0\n6.057545 0.000000 2.633695\n2.418570 5.642105 2.720322\n-0.019179 0.028096 8.327188\nNa B S\n6 2 6\ndirect\n0.190065 0.193176 0.003795 Na\n0.612964 0.693177 0.503795 Na\n0.500000 0.500000 -0.000001 Na\n-0.000000 0.000000 0.500000 Na\n0.809935 0.806826 0.996204 Na\n0.387036 0.306825 0.496204 Na\n0.922989 0.250001 0.749999 B\n0.077011 0.750001 0.250000 B\n0.803538 0.023566 0.249142 S\n0.076245 0.476435 0.250857 S\n0.196462 0.976435 0.750857 S\n0.923755 0.523567 0.749142 S\n0.358895 0.750001 0.249999 S\n0.641105 0.250001 0.750000 S\n",
"nsites": 14,
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"density": 2.053492643734279,
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"volume": 284.60182150337766,
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"formula_full": "Na6 B2 S6",
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},
{
"id": "jvasp-13078",
"created_at": "2022-09-04T14:37:01.134096Z",
"updated_at": "2022-09-04T14:37:01.134132Z",
"structure_string": "Li4 B4 Se10\n1.0\n5.155472 -0.000000 1.172849\n2.462074 5.341732 1.094837\n-0.040563 0.056532 12.095642\nLi B Se\n4 4 10\ndirect\n0.856541 0.315707 0.931702 Li\n0.103951 0.184292 0.568298 Li\n0.143458 0.684292 0.068298 Li\n0.896048 0.815707 0.431703 Li\n0.307414 0.574117 0.707381 B\n0.588913 0.925882 0.792619 B\n0.692586 0.425882 0.292619 B\n0.411087 0.074118 0.207381 B\n0.733471 0.928889 0.939009 Se\n0.601369 0.571110 0.560991 Se\n0.076010 0.149080 0.340686 Se\n0.565775 0.350920 0.159314 Se\n0.758818 0.750000 0.250000 Se\n0.434224 0.649079 0.840686 Se\n0.241182 0.250000 0.750000 Se\n0.398630 0.428889 0.439009 Se\n0.923990 0.850919 0.659314 Se\n0.266529 0.071110 0.060991 Se\n",
"nsites": 18,
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:37:01.186297Z",
"updated_at": "2022-09-04T14:37:01.186322Z",
"structure_string": "Mg8 Ni4 H16\n1.0\n6.608645 3.189168 -2.865433\n-6.608645 3.189168 2.865433\n-0.007635 0.000000 6.473288\nMg Ni H\n8 4 16\ndirect\n0.776427 0.247073 0.582688 Mg\n0.247072 0.776427 0.917312 Mg\n0.223573 0.752928 0.417312 Mg\n0.752928 0.223573 0.082688 Mg\n0.968989 0.968990 0.750000 Mg\n0.031011 0.031011 0.250000 Mg\n0.468180 0.468181 0.750000 Mg\n0.531820 0.531820 0.250000 Mg\n0.349280 0.108131 0.078114 Ni\n0.108131 0.349281 0.421886 Ni\n0.650720 0.891869 0.921886 Ni\n0.891869 0.650720 0.578114 Ni\n0.890925 0.138755 0.930997 H\n0.138754 0.890926 0.569003 H\n0.308542 0.283389 0.060953 H\n0.283389 0.308542 0.439047 H\n0.691458 0.716612 0.939047 H\n0.716612 0.691459 0.560953 H\n0.464286 0.185846 0.875472 H\n0.485997 0.907977 0.696902 H\n0.535714 0.814155 0.124528 H\n0.814155 0.535714 0.375472 H\n0.514003 0.092024 0.303098 H\n0.092024 0.514003 0.196902 H\n0.861246 0.109075 0.430997 H\n0.907976 0.485998 0.803098 H\n0.185845 0.464287 0.624528 H\n0.109075 0.861246 0.069003 H\n",
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{
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"created_at": "2022-09-04T14:37:01.361912Z",
"updated_at": "2022-09-04T14:37:01.361926Z",
"structure_string": "Nb2 O4 F2\n1.0\n5.589803 -0.255916 0.006184\n3.100563 4.542469 -0.117340\n3.223128 1.471230 4.331092\nNb O F\n2 4 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.499999 Nb\n0.338787 0.160888 0.761860 O\n0.738139 0.339111 0.161212 O\n0.261861 0.660889 0.838786 O\n0.661213 0.839111 0.238139 O\n0.133765 0.750000 0.366234 F\n0.866235 0.250000 0.633765 F\n",
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{
"id": "jvasp-12956",
"created_at": "2022-09-04T14:37:01.319793Z",
"updated_at": "2022-09-04T14:37:01.319822Z",
"structure_string": "Na4 C2 S6\n1.0\n5.704082 0.005855 1.517892\n2.217921 5.255227 1.517892\n-0.026136 -0.017358 8.447454\nNa C S\n4 2 6\ndirect\n0.434710 0.829240 0.390048 Na\n0.170761 0.565289 0.109951 Na\n0.829238 0.434712 0.890048 Na\n0.565288 0.170761 0.609951 Na\n0.915740 0.084260 0.250000 C\n0.084258 0.915741 0.749999 C\n0.641867 0.358133 0.250000 S\n0.358131 0.641868 0.749999 S\n0.921333 0.813957 0.390393 S\n0.186044 0.078666 0.109607 S\n0.078665 0.186044 0.609606 S\n0.813954 0.921335 0.890393 S\n",
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{
"id": "jvasp-22634",
"created_at": "2022-09-04T14:37:01.502165Z",
"updated_at": "2022-09-04T14:37:01.502207Z",
"structure_string": "P6 N10\n1.0\n4.934097 0.005087 -1.011355\n-1.832268 4.594187 -0.951010\n0.003316 -0.009091 8.806337\nP N\n6 10\ndirect\n0.231504 0.481503 0.750001 P\n0.374893 0.661964 0.444281 P\n0.282319 0.069389 0.944281 P\n0.625109 0.338038 0.555720 P\n0.717682 0.930613 0.055720 P\n0.768498 0.518498 0.250001 P\n0.612379 0.500883 0.400597 N\n0.299983 0.227580 0.807321 N\n0.387622 0.499118 0.599404 N\n0.600286 0.211783 0.099404 N\n0.920260 0.492663 0.692680 N\n0.700018 0.772422 0.192680 N\n0.500001 0.000000 0.500001 N\n0.399715 0.788218 0.900597 N\n0.079741 0.507339 0.307321 N\n0.000000 0.000000 0.000000 N\n",
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]
}