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{
"id": "jvasp-119683",
"created_at": "2022-09-04T14:38:52.443035Z",
"updated_at": "2022-09-04T14:38:52.443060Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.387239 0.019769 0.076491\n0.122001 7.386258 0.076491\n0.039747 0.039201 10.546718\nZr Cr Ag S\n4 4 4 16\ndirect\n-0.000125 0.249704 0.624781 Zr\n0.749704 -0.000125 0.374781 Zr\n0.499875 0.749704 0.124781 Zr\n0.249704 0.499875 0.874781 Zr\n0.000059 0.750066 0.625068 Cr\n0.750066 0.500059 0.875068 Cr\n0.250066 0.000059 0.375068 Cr\n0.500059 0.250066 0.125068 Cr\n0.985123 0.515195 0.250161 Ag\n0.485123 0.015195 0.750161 Ag\n0.515195 0.485123 0.500161 Ag\n0.015195 0.985123 0.000161 Ag\n0.772363 0.516214 0.644273 S\n0.992805 0.269668 0.868588 S\n0.227943 0.983841 0.605919 S\n0.516214 0.272363 0.894273 S\n0.269667 0.492805 0.118588 S\n0.507013 0.730135 0.881210 S\n0.730135 0.007013 0.131210 S\n0.769668 0.992805 0.618588 S\n0.272363 0.016214 0.144273 S\n0.492805 0.769668 0.368588 S\n0.727943 0.483841 0.105919 S\n0.016214 0.772363 0.394273 S\n0.983841 0.727943 0.855919 S\n0.007013 0.230135 0.381210 S\n0.483841 0.227943 0.355919 S\n0.230135 0.507013 0.631210 S\n",
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{
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"structure_string": "Fe2 Mo2 Cl2 O8\n1.0\n4.697962 0.016434 0.000000\n-0.115497 6.572319 0.000000\n-0.000000 -0.000000 6.570332\nFe Mo Cl O\n2 2 2 8\ndirect\n0.234988 0.257546 0.250000 Fe\n0.765010 0.742454 0.750000 Fe\n-0.000023 0.248302 0.750000 Mo\n0.000022 0.751698 0.250000 Mo\n0.727408 0.227526 0.250000 Cl\n0.272590 0.772473 0.750000 Cl\n0.222642 0.973006 0.250000 O\n0.777357 0.026994 0.750000 O\n0.231132 0.538245 0.250000 O\n0.768867 0.461755 0.750000 O\n0.774090 0.741669 0.468176 O\n0.774090 0.741669 0.031823 O\n0.225909 0.258331 0.968176 O\n0.225909 0.258331 0.531823 O\n",
"nsites": 14,
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"density_atomic": 0.06900584681302069,
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{
"id": "jvasp-120735",
"created_at": "2022-09-04T14:38:53.202949Z",
"updated_at": "2022-09-04T14:38:53.202976Z",
"structure_string": "P2 H2 Pb2 O8\n1.0\n6.641227 -0.000000 0.000000\n0.000000 4.662531 0.512688\n-0.000000 -0.052660 5.796091\nP H Pb O\n2 2 2 8\ndirect\n0.792454 0.488581 0.247404 P\n0.207547 0.488581 0.747404 P\n0.475996 0.514084 0.984268 H\n0.524004 0.514084 0.484268 H\n0.206580 -0.000431 0.269493 Pb\n0.793420 -0.000431 0.769493 Pb\n0.656801 0.359526 0.067973 O\n0.650862 0.632992 0.426835 O\n0.349138 0.632992 0.926835 O\n0.343199 0.359526 0.567973 O\n0.918393 0.254929 0.387098 O\n0.922966 0.734017 0.131728 O\n0.077035 0.734017 0.631728 O\n0.081607 0.254929 0.887098 O\n",
"nsites": 14,
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"density_atomic": 0.07792721004997161,
"volume": 179.65483418464947,
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},
{
"id": "jvasp-111982",
"created_at": "2022-09-04T14:38:53.754326Z",
"updated_at": "2022-09-04T14:38:53.754352Z",
"structure_string": "Li4 Mn4 Sb4 O16\n1.0\n6.256732 0.000020 -0.000035\n0.000021 6.122209 -0.000025\n-0.000051 -0.000033 8.991886\nLi Mn Sb O\n4 4 4 16\ndirect\n0.000000 0.250000 0.102130 Li\n0.500000 0.750000 0.602130 Li\n-0.000001 0.750000 0.897870 Li\n0.499999 0.250000 0.397869 Li\n0.500000 0.000001 0.000000 Mn\n0.000001 0.000001 0.499999 Mn\n0.000001 0.500001 0.500001 Mn\n0.500000 0.500001 -0.000002 Mn\n0.250001 0.250000 0.749999 Sb\n0.749999 0.749999 0.249998 Sb\n0.749999 0.250000 0.750001 Sb\n0.250000 0.749999 0.250000 Sb\n0.269463 0.750001 0.027391 O\n0.769463 0.250001 0.527391 O\n0.269465 0.250001 0.972609 O\n0.769465 0.750000 0.472608 O\n0.730536 0.250000 0.972608 O\n0.230536 0.749999 0.472608 O\n0.499998 0.975162 0.251169 O\n0.500002 0.024837 0.748831 O\n0.500002 0.524838 0.251170 O\n0.000003 0.024838 0.751171 O\n0.499997 0.475162 0.748829 O\n-0.000003 0.975161 0.248829 O\n0.230534 0.250001 0.527392 O\n0.000002 0.524837 0.248830 O\n-0.000002 0.475163 0.751170 O\n0.730534 0.750000 0.027392 O\n",
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{
"id": "jvasp-42636",
"created_at": "2022-09-04T14:36:12.637676Z",
"updated_at": "2022-09-04T14:36:12.637687Z",
"structure_string": "Li2 Sc2 V2 O8\n1.0\n2.904943 -5.288325 0.008540\n2.904943 5.288325 -0.008540\n2.904943 1.601947 5.039863\nLi Sc V O\n2 2 2 8\ndirect\n0.117894 0.250000 0.132105 Li\n0.882104 0.749999 0.867894 Li\n0.500000 -0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.500000 -0.000000 0.500000 V\n-0.000001 0.500000 0.500000 V\n0.286036 0.012319 0.726282 O\n0.238601 0.512319 0.273717 O\n0.253917 0.534580 0.711502 O\n0.253917 0.965420 0.280661 O\n0.746082 0.034579 0.719338 O\n0.746082 0.465420 0.288497 O\n0.761398 0.487681 0.726282 O\n0.713963 0.987681 0.273717 O\n",
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"volume": 154.9270831400171,
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"formula_full": "Li2 Sc2 V2 O8",
"formula_reduced": "LiScVO4",
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},
{
"id": "jvasp-43660",
"created_at": "2022-09-04T14:36:13.421364Z",
"updated_at": "2022-09-04T14:36:13.421386Z",
"structure_string": "Na4 Ni4 P4 O16\n1.0\n4.957976 -0.000000 0.000000\n-0.000000 6.137619 0.000000\n0.000000 0.000000 10.117489\nNa Ni P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.511602 0.250000 0.219841 Ni\n0.011601 0.750000 0.280159 Ni\n0.988400 0.250000 0.719841 Ni\n0.488399 0.750000 0.780159 Ni\n0.439958 0.250000 0.892300 P\n0.939958 0.750000 0.607700 P\n0.060043 0.250000 0.392300 P\n0.560043 0.750000 0.107700 P\n0.303934 0.050931 0.820554 O\n0.303934 0.449069 0.820554 O\n0.803935 0.550931 0.679446 O\n0.803935 0.949069 0.679446 O\n0.249338 0.750000 0.613287 O\n0.159855 0.250000 0.537776 O\n0.840146 0.750000 0.462224 O\n0.250663 0.750000 0.113287 O\n0.196066 0.050931 0.320554 O\n0.196066 0.449069 0.320554 O\n0.696067 0.550931 0.179446 O\n0.696067 0.949069 0.179446 O\n0.749338 0.250000 0.886713 O\n0.340146 0.250000 0.037776 O\n0.750663 0.250000 0.386713 O\n0.659855 0.750000 0.962224 O\n",
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"formula_full": "Na4 Ni4 P4 O16",
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"spacegroup": 62
},
{
"id": "jvasp-98011",
"created_at": "2022-09-04T14:36:11.572612Z",
"updated_at": "2022-09-04T14:36:11.572640Z",
"structure_string": "K2 Ce2 Ge2 Se8\n1.0\n6.570765 0.000000 -2.134624\n0.000000 7.066268 0.000000\n-0.033853 0.000000 8.929054\nK Ce Ge Se\n2 2 2 8\ndirect\n0.248512 0.718208 0.938551 K\n0.751489 0.218208 0.061450 K\n0.732195 0.213034 0.555228 Ce\n0.267806 0.713035 0.444772 Ce\n0.716829 0.746383 0.315710 Ge\n0.283172 0.246383 0.684290 Ge\n0.917849 0.750958 0.144522 Se\n0.082152 0.250957 0.855478 Se\n0.492755 0.968883 0.719784 Se\n0.927575 0.805867 0.581424 Se\n0.072426 0.305867 0.418576 Se\n0.463459 0.991959 0.265963 Se\n0.536542 0.491959 0.734037 Se\n0.507246 0.468883 0.280216 Se\n",
"nsites": 14,
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],
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},
{
"id": "jvasp-94993",
"created_at": "2022-09-04T14:36:13.550645Z",
"updated_at": "2022-09-04T14:36:13.550666Z",
"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.965129 -0.000000 -0.000001\n-2.482564 3.313126 2.482565\n0.000001 -0.000000 4.965129\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698111 0.763105 0.435553 O\n0.801344 0.236896 0.698110 O\n0.435553 0.236896 0.064995 O\n0.064995 0.763105 0.801344 O\n",
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"formula_full": "Li1 Cu1 P1 O4",
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"spacegroup": 82
},
{
"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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"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.232058 0.000000 0.000000\n-0.000000 4.555303 0.000000\n0.000000 0.000000 15.005805\nLi Cu P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.249494 Li\n0.000000 0.750000 0.750507 Li\n0.500000 0.750000 0.250507 Li\n0.500000 0.250000 0.749494 Li\n0.000000 0.750000 0.075933 Cu\n0.000000 0.250000 0.924068 Cu\n0.500000 0.250000 0.424067 Cu\n0.500000 0.750000 0.575933 Cu\n0.500000 0.250000 0.114791 P\n0.500000 0.750000 0.885209 P\n0.000000 0.250000 0.614791 P\n0.000000 0.750000 0.385209 P\n0.268901 0.572842 0.944165 O\n0.268901 0.072842 0.055836 O\n0.231100 0.572842 0.444165 O\n0.231100 0.072842 0.555836 O\n0.304117 0.964956 0.825946 O\n0.304117 0.464957 0.174055 O\n0.695884 0.535043 0.825946 O\n0.804117 0.035043 0.674055 O\n0.768901 0.427158 0.555836 O\n0.768901 0.927157 0.444165 O\n0.731100 0.927157 0.944165 O\n0.731100 0.427158 0.055836 O\n0.195884 0.964956 0.325945 O\n0.804117 0.535043 0.325945 O\n0.695884 0.035043 0.174055 O\n0.195884 0.464957 0.674055 O\n",
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"volume": 289.2865081228633,
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"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 60
},
{
"id": "jvasp-43243",
"created_at": "2022-09-04T14:36:30.477504Z",
"updated_at": "2022-09-04T14:36:30.477523Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.537627 0.005059 0.018925\n-1.199800 4.945327 0.016942\n-1.700142 -0.418284 7.156113\nLi Co P O\n2 2 2 8\ndirect\n0.734246 0.710253 0.986491 Li\n0.265755 0.289748 0.013507 Li\n0.964139 0.769157 0.584884 Co\n0.035862 0.230844 0.415114 Co\n0.345145 0.812821 0.254880 P\n0.654856 0.187181 0.745119 P\n0.149556 0.615748 0.371285 O\n0.318443 0.088689 0.619353 O\n0.646258 0.329642 0.924824 O\n0.197641 0.057982 0.210814 O\n0.802360 0.942019 0.789185 O\n0.353743 0.670360 0.075175 O\n0.681558 0.911313 0.380645 O\n0.850445 0.384254 0.628714 O\n",
"nsites": 14,
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],
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"density_atomic": 0.08704974082287231,
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"volume_molar": 6.918045594476581,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-34221",
"created_at": "2022-09-04T14:36:31.829193Z",
"updated_at": "2022-09-04T14:36:31.829228Z",
"structure_string": "Li1 Ge1 B1 O4\n1.0\n3.352253 0.059060 -1.877124\n-0.950210 3.215387 -1.877198\n0.771606 1.051688 5.484526\nLi Ge B O\n1 1 1 4\ndirect\n0.006472 0.006470 0.012951 Li\n0.272358 0.272361 0.544716 Ge\n0.747098 0.747099 0.494196 B\n0.641696 0.641694 0.700646 O\n0.891033 0.434393 0.325424 O\n0.058953 0.058953 0.700648 O\n0.434392 0.891034 0.325424 O\n",
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],
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"volume": 72.48993035225463,
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"formula_full": "Li1 Ge1 B1 O4",
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"spacegroup": 42
}
]
}