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"results": [
{
"id": "jvasp-110996",
"created_at": "2022-09-04T14:38:36.166039Z",
"updated_at": "2022-09-04T14:38:36.166078Z",
"structure_string": "Sr1 Nd1 V1 O4\n1.0\n3.704468 0.006470 -5.724499\n-0.317714 3.690824 -5.724499\n-0.005927 -0.006470 6.818573\nSr Nd V O\n1 1 1 4\ndirect\n0.643896 0.643895 0.000000 Sr\n0.359069 0.359068 0.000000 Nd\n0.002097 0.002097 0.000000 V\n0.993290 0.493289 0.500000 O\n0.493290 0.993288 0.499999 O\n0.835549 0.835547 0.000000 O\n0.172813 0.172813 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:30.803134Z",
"updated_at": "2022-09-04T14:38:30.803159Z",
"structure_string": "Li6 Ga6 Si6 O24\n1.0\n8.088988 -0.000969 -2.604338\n-3.574221 7.256490 -2.604339\n-0.000603 -0.000969 8.497899\nLi Ga Si O\n6 6 6 24\ndirect\n0.210049 0.434551 0.607161 Li\n0.724755 0.126792 0.893393 Li\n0.126793 0.893393 0.724755 Li\n0.893394 0.724755 0.126792 Li\n0.434552 0.607161 0.210048 Li\n0.607161 0.210048 0.434552 Li\n0.768603 0.944624 0.534143 Ga\n0.459453 0.234184 0.054070 Ga\n0.054070 0.459452 0.234184 Ga\n0.234184 0.054070 0.459452 Ga\n0.944625 0.534143 0.768602 Ga\n0.534144 0.768602 0.944624 Ga\n0.796388 0.567200 0.387829 Si\n0.387830 0.796387 0.567200 Si\n0.567200 0.387829 0.796387 Si\n0.097609 0.280879 0.873459 Si\n0.873459 0.097609 0.280879 Si\n0.280879 0.873459 0.097609 Si\n0.989196 0.975469 0.308444 O\n0.702762 0.376741 0.694441 O\n0.354823 0.299386 0.633884 O\n0.633884 0.354823 0.299386 O\n0.006946 0.060707 0.727165 O\n0.580495 0.262308 0.909738 O\n0.262309 0.909738 0.580495 O\n0.909738 0.580494 0.262308 O\n0.404975 0.758348 0.085323 O\n0.758348 0.085324 0.404975 O\n0.085324 0.404975 0.758348 O\n0.021514 0.310705 0.353853 O\n0.310705 0.353853 0.021513 O\n0.353853 0.021514 0.310705 O\n0.060707 0.727165 0.006945 O\n0.636536 0.603389 0.939313 O\n0.603390 0.939313 0.636535 O\n0.376742 0.694441 0.702762 O\n0.694442 0.702762 0.376741 O\n0.299386 0.633884 0.354823 O\n0.308445 0.989195 0.975469 O\n0.975470 0.308444 0.989195 O\n0.727165 0.006945 0.060707 O\n0.939313 0.636535 0.603389 O\n",
"nsites": 42,
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"density_atomic": 0.08421280096608659,
"volume": 498.7365283920892,
"volume_molar": 7.151098990787852,
"formula_full": "Li6 Ga6 Si6 O24",
"formula_reduced": "LiGaSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 146
},
{
"id": "jvasp-47706",
"created_at": "2022-09-04T14:37:28.121647Z",
"updated_at": "2022-09-04T14:37:28.121667Z",
"structure_string": "Li1 Co1 Si1 O4\n1.0\n-0.000000 4.424258 -0.000000\n2.212128 -2.212129 4.276360\n4.424258 0.000000 -0.000000\nLi Co Si O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.750000 0.500000 0.750001 Co\n0.000000 0.000000 0.000000 Si\n0.351143 0.215817 0.084639 O\n0.699545 0.784183 0.351143 O\n0.864675 0.215817 0.699545 O\n0.084639 0.784183 0.864675 O\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.08362630184820345,
"volume": 83.70572230619787,
"volume_molar": 7.201252030648505,
"formula_full": "Li1 Co1 Si1 O4",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4443305,
"spacegroup": 82
},
{
"id": "jvasp-117019",
"created_at": "2022-09-04T14:38:49.121904Z",
"updated_at": "2022-09-04T14:38:49.121931Z",
"structure_string": "Li2 Ru2 Rh2 O8\n1.0\n5.285719 0.017280 -2.865834\n-1.737527 4.838292 -3.118343\n0.021437 -0.017280 6.012601\nLi Ru Rh O\n2 2 2 8\ndirect\n0.877686 0.627686 0.250001 Li\n0.122314 0.372314 0.750000 Li\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.723305 0.243258 0.480047 O\n0.263212 0.243258 0.019954 O\n0.262214 0.242480 0.480267 O\n0.262214 0.781947 0.019733 O\n0.276695 0.756741 0.519954 O\n0.736788 0.756741 0.980047 O\n0.737786 0.757519 0.519733 O\n0.737786 0.218053 0.980268 O\n",
"nsites": 14,
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"elements": [
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],
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"spacegroup": 74
},
{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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"spacegroup": 33
},
{
"id": "jvasp-119672",
"created_at": "2022-09-04T14:38:36.707029Z",
"updated_at": "2022-09-04T14:38:36.707056Z",
"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n7.171213 -0.000000 0.000000\n0.000000 7.277131 0.000000\n-0.000000 -0.000000 10.649043\nTi Cr Ag S\n4 4 4 16\ndirect\n0.750000 -0.000041 0.250014 Ti\n0.250000 0.000041 0.749986 Ti\n0.250000 0.500041 0.750014 Ti\n0.750000 0.499958 0.249986 Ti\n0.250000 0.250016 0.110118 Cr\n0.750000 0.749984 0.889881 Cr\n0.750000 0.249984 0.610118 Cr\n0.250000 0.750016 0.389882 Cr\n0.250000 0.750067 0.112261 Ag\n0.750000 0.249933 0.887739 Ag\n0.750000 0.749933 0.612261 Ag\n0.250000 0.250067 0.387739 Ag\n0.250000 0.973611 0.523769 S\n0.750000 0.026389 0.476231 S\n0.250000 0.026451 0.976205 S\n0.750000 0.973549 0.023794 S\n0.750000 0.473549 0.476206 S\n0.250000 0.526451 0.523794 S\n0.483749 0.250011 0.728470 S\n0.983749 0.749989 0.271530 S\n0.516251 0.249989 0.228470 S\n0.483749 0.750011 0.771530 S\n0.016251 0.750011 0.771530 S\n0.983749 0.249989 0.228470 S\n0.250000 0.473611 0.976231 S\n0.016251 0.250011 0.728470 S\n0.516251 0.749989 0.271530 S\n0.750000 0.526389 0.023769 S\n",
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],
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"density_atomic": 0.05038423112601271,
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"formula_full": "Ti4 Cr4 Ag4 S16",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-86570",
"created_at": "2022-09-04T14:35:45.891264Z",
"updated_at": "2022-09-04T14:35:45.891291Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.445117 0.000000 0.000000\n0.000000 5.753711 0.000000\n0.000000 0.000000 9.457348\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245854 0.000000 0.129959 Re\n0.745854 0.500000 0.870041 Re\n0.710754 0.500000 0.324199 Pb\n0.210753 0.000000 0.675802 Pb\n0.666772 0.000000 0.460672 Cl\n0.166772 0.500000 0.539328 Cl\n0.639969 0.245323 0.778082 O\n0.139969 0.745323 0.221918 O\n0.628864 0.500000 0.047444 O\n0.637131 0.000000 0.127576 O\n0.639969 0.754676 0.778082 O\n0.139969 0.254676 0.221918 O\n0.128864 0.000000 0.952556 O\n0.137131 0.500000 0.872424 O\n",
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"elements": [
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],
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"density": 6.767058647277516,
"density_atomic": 0.05787985374155625,
"volume": 241.880362423037,
"volume_molar": 10.404554211366738,
"formula_full": "Re2 Pb2 Cl2 O8",
"formula_reduced": "RePbClO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 31
},
{
"id": "jvasp-48179",
"created_at": "2022-09-04T14:36:15.606898Z",
"updated_at": "2022-09-04T14:36:15.606922Z",
"structure_string": "Li2 V2 P2 O8\n1.0\n-2.781763 4.637982 0.000000\n2.781763 0.000000 5.694044\n2.781763 4.637982 0.000000\nLi V P O\n2 2 2 8\ndirect\n0.800613 0.250000 0.800613 Li\n0.550614 0.749999 0.550613 Li\n0.436179 0.250000 0.436179 V\n0.186179 0.749999 0.186179 V\n0.123123 0.250000 0.123123 P\n0.873123 0.749999 0.873122 P\n0.784344 0.104273 0.269910 O\n0.306549 0.098330 0.154281 O\n0.752610 0.598330 0.208219 O\n0.874183 0.604273 0.680071 O\n0.154281 0.401669 0.306549 O\n0.269910 0.395727 0.784343 O\n0.680071 0.895726 0.874182 O\n0.208219 0.901669 0.752609 O\n",
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],
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"density": 3.455059331511421,
"density_atomic": 0.09528576742792785,
"volume": 146.92645478863676,
"volume_molar": 6.320084229321047,
"formula_full": "Li2 V2 P2 O8",
"formula_reduced": "LiVPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 43
},
{
"id": "jvasp-43476",
"created_at": "2022-09-04T14:37:13.314985Z",
"updated_at": "2022-09-04T14:37:13.315006Z",
"structure_string": "Li4 Nb4 Cu4 O16\n1.0\n5.804602 0.000000 -0.000000\n-0.000000 5.804602 0.000000\n0.000000 -0.000000 9.655446\nLi Nb Cu O\n4 4 4 16\ndirect\n0.000000 0.240753 0.000000 Li\n0.000000 0.759247 0.500000 Li\n0.240753 0.000000 0.250000 Li\n0.759247 0.000000 0.750000 Li\n0.256541 0.256541 0.625000 Nb\n0.256541 0.743459 0.875000 Nb\n0.743459 0.256541 0.375000 Nb\n0.743459 0.743459 0.125000 Nb\n0.759242 0.500000 0.750000 Cu\n0.500000 0.759242 0.500000 Cu\n0.500000 0.240757 0.000000 Cu\n0.240757 0.500000 0.250000 Cu\n0.743386 0.994223 0.492104 O\n0.743386 0.005777 0.007897 O\n0.742455 0.481037 0.009855 O\n0.742455 0.518963 0.490145 O\n0.518963 0.742455 0.759856 O\n0.518963 0.257544 0.740145 O\n0.481037 0.742455 0.240145 O\n0.005777 0.743386 0.242103 O\n0.257544 0.518963 0.509855 O\n0.257544 0.481037 0.990145 O\n0.256613 0.994223 0.507897 O\n0.256613 0.005777 0.992104 O\n0.994223 0.256613 0.742104 O\n0.005777 0.256613 0.257897 O\n0.481037 0.257544 0.259855 O\n0.994223 0.743386 0.757897 O\n",
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{
"id": "jvasp-40692",
"created_at": "2022-09-04T14:38:30.770007Z",
"updated_at": "2022-09-04T14:38:30.770026Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.612330 -0.000000 0.000000\n-0.000000 6.239462 0.000000\n0.000000 0.000000 8.391250\nLi Mn P O\n4 4 4 16\ndirect\n0.750000 0.750028 0.916139 Li\n0.250000 0.749971 0.416139 Li\n0.750000 0.250029 0.583861 Li\n0.250000 0.249971 0.083861 Li\n0.250000 -0.000024 0.749984 Mn\n0.750000 0.500024 0.249984 Mn\n0.250000 0.499976 0.750016 Mn\n0.750000 0.000024 0.250016 Mn\n0.250000 0.250006 0.396181 P\n0.750000 0.249994 0.896181 P\n0.250000 0.750005 0.103819 P\n0.750000 0.749994 0.603819 P\n0.528156 0.249984 0.780941 O\n0.971844 0.249984 0.780941 O\n0.028156 0.250016 0.280941 O\n0.471844 0.250016 0.280941 O\n0.250000 0.453785 0.499022 O\n0.750000 0.453795 0.998997 O\n0.250000 0.546205 0.001003 O\n0.250000 0.953785 0.000978 O\n0.528156 0.749984 0.719059 O\n0.971844 0.749984 0.719059 O\n0.471844 0.750015 0.219059 O\n0.028156 0.750015 0.219059 O\n0.750000 0.046214 0.999022 O\n0.750000 0.953795 0.501003 O\n0.750000 0.546214 0.500978 O\n0.250000 0.046205 0.498997 O\n",
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"elements": [
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],
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"density_atomic": 0.09528861789846282,
"volume": 293.8441192403074,
"volume_molar": 6.3198951698691275,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
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"spacegroup": 63
},
{
"id": "jvasp-108810",
"created_at": "2022-09-04T14:38:20.522918Z",
"updated_at": "2022-09-04T14:38:20.522944Z",
"structure_string": "Al1 Cu1 Sn1 Se4\n1.0\n5.126550 0.016475 -4.611656\n-1.006707 5.026761 -4.611656\n-0.013459 -0.016475 6.895557\nAl Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.499999 Cu\n0.500000 0.500000 -0.000000 Sn\n0.095796 0.099452 0.445712 Se\n0.653740 0.650084 0.554287 Se\n0.349916 0.904204 0.003656 Se\n0.900547 0.346260 0.996343 Se\n",
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],
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"density_atomic": 0.03954009202371182,
"volume": 177.0355009746099,
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"formula_full": "Al1 Cu1 Sn1 Se4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-85748",
"created_at": "2022-09-04T14:35:42.073385Z",
"updated_at": "2022-09-04T14:35:42.073412Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n6.405474 0.455401 1.471731\n2.307677 5.992672 1.471731\n-0.071048 -0.052578 6.892854\nYb Mo Cl O\n2 2 2 8\ndirect\n0.279144 0.279144 0.861416 Yb\n0.720856 0.720855 0.138583 Yb\n0.353612 0.353611 0.278902 Mo\n0.646388 0.646388 0.721097 Mo\n-0.022924 -0.022924 0.868078 Cl\n0.022924 0.022924 0.131922 Cl\n0.504582 0.108939 0.146882 O\n0.485014 0.485014 0.752649 O\n0.108939 0.504582 0.146882 O\n0.514986 0.514986 0.247351 O\n0.495418 0.891060 0.853117 O\n0.891060 0.495418 0.853117 O\n0.274138 0.274137 0.533520 O\n0.725862 0.725862 0.466479 O\n",
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],
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"volume": 258.2406964401826,
"volume_molar": 11.108298742308648,
"formula_full": "Yb2 Mo2 Cl2 O8",
"formula_reduced": "YbMoClO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 12
}
]
}