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{
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"structure_string": "Li4 V6 W2 O16\n1.0\n5.845730 -0.000002 -0.000027\n-2.922868 5.062556 0.000055\n0.000333 -0.000576 9.710324\nLi V W O\n4 6 2 16\ndirect\n0.333344 0.666698 0.899575 Li\n0.000040 0.999966 0.991015 Li\n0.999959 0.999926 0.491015 Li\n0.666655 0.333352 0.399575 Li\n0.826242 0.652501 0.713893 V\n0.347539 0.173792 0.713877 V\n0.826249 0.173783 0.713880 V\n0.173751 0.347535 0.213880 V\n0.173757 0.826258 0.213894 V\n0.652461 0.826255 0.213878 V\n0.333327 0.666663 0.489030 W\n0.666672 0.333337 0.989030 W\n0.339102 0.169553 0.095612 O\n0.830452 0.660916 0.095618 O\n0.666688 0.333365 0.597928 O\n0.517614 0.035245 0.847430 O\n0.517625 0.482412 0.847447 O\n0.660898 0.830452 0.595612 O\n0.482385 0.517630 0.347430 O\n0.035214 0.517634 0.347442 O\n0.169547 0.339086 0.595594 O\n0.000019 0.000039 0.805573 O\n0.999981 0.000022 0.305573 O\n0.333311 0.666676 0.097928 O\n0.964785 0.482419 0.847441 O\n0.169548 0.830464 0.595618 O\n0.482375 0.964788 0.347447 O\n0.830453 0.169540 0.095594 O\n",
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{
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"structure_string": "Na4 B12 H16 O28\n1.0\n8.887491 4.942383 -2.254594\n-8.887491 4.942383 2.254594\n-0.001273 0.000000 6.230245\nNa B H O\n4 12 16 28\ndirect\n0.936694 0.590982 0.599550 Na\n0.590982 0.936693 0.900449 Na\n0.063306 0.409017 0.400449 Na\n0.409017 0.063306 0.099550 Na\n0.675667 0.717187 0.484263 B\n0.717187 0.675667 0.015736 B\n0.324333 0.282812 0.515736 B\n0.282812 0.324332 0.984263 B\n0.995444 0.802343 0.002058 B\n0.802343 0.995444 0.497942 B\n0.004555 0.197656 0.997941 B\n0.510546 0.829398 0.445100 B\n0.829398 0.510546 0.054899 B\n0.489453 0.170601 0.554899 B\n0.170601 0.489453 0.945100 B\n0.197656 0.004555 0.502058 B\n0.634017 0.130840 0.447384 H\n0.031019 0.131608 0.526507 H\n0.131608 0.031019 0.973492 H\n0.868391 0.968980 0.026508 H\n0.365982 0.869159 0.552616 H\n0.869159 0.365982 0.947383 H\n0.130840 0.634017 0.052616 H\n0.968981 0.868391 0.473492 H\n0.757873 0.364985 0.334873 H\n0.635015 0.242126 0.834873 H\n0.242127 0.635014 0.665126 H\n0.614507 0.492338 0.501819 H\n0.492338 0.614506 0.998180 H\n0.385493 0.507661 0.498180 H\n0.507662 0.385493 0.001820 H\n0.364985 0.757873 0.165126 H\n0.936707 0.136246 0.519839 O\n0.132919 0.190669 0.982288 O\n0.190669 0.132919 0.517711 O\n0.867080 0.809330 0.017712 O\n0.809330 0.867080 0.482288 O\n0.975784 0.662843 0.998568 O\n0.337156 0.024216 0.498568 O\n0.136246 0.936706 0.980160 O\n0.662843 0.975784 0.501432 O\n0.303994 0.465115 0.985214 O\n0.465116 0.303994 0.514785 O\n0.024216 0.337156 0.001432 O\n0.063293 0.863753 0.480161 O\n0.595614 0.202656 0.402526 O\n0.404386 0.797343 0.597474 O\n0.797343 0.404386 0.902525 O\n0.202656 0.595613 0.097474 O\n0.458267 0.857425 0.213296 O\n0.857425 0.458267 0.286704 O\n0.541733 0.142574 0.786704 O\n0.142574 0.541732 0.713295 O\n0.704054 0.602464 0.494511 O\n0.602464 0.704054 0.005489 O\n0.295945 0.397535 0.505489 O\n0.397536 0.295945 0.994510 O\n0.696006 0.534884 0.014785 O\n0.863753 0.063293 0.019839 O\n0.534884 0.696006 0.485215 O\n",
"nsites": 60,
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{
"id": "jvasp-50712",
"created_at": "2022-09-04T14:35:47.153020Z",
"updated_at": "2022-09-04T14:35:47.153036Z",
"structure_string": "Li3 Sb1 P2 O8\n1.0\n5.146346 -0.012365 0.013312\n1.992728 4.745469 0.014592\n0.163971 0.104951 6.242047\nLi Sb P O\n3 1 2 8\ndirect\n0.350793 0.820997 0.295760 Li\n0.969225 0.532279 0.500914 Li\n0.680959 0.150309 0.706228 Li\n0.011715 0.489778 0.000975 Sb\n0.355912 0.853759 0.760855 P\n0.647662 0.145650 0.241161 P\n0.749950 0.278604 0.417813 O\n0.742001 0.216468 0.014996 O\n0.682572 0.750255 0.731002 O\n0.251855 0.186715 0.750314 O\n0.750999 0.819044 0.270961 O\n0.314650 0.249891 0.251753 O\n0.284992 0.759508 0.987010 O\n0.222799 0.751642 0.584203 O\n",
"nsites": 14,
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{
"id": "jvasp-91420",
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"updated_at": "2022-09-04T14:35:46.465813Z",
"structure_string": "Rb8 Li4 Nb4 S16\n1.0\n7.041695 0.043767 0.291883\n1.168688 10.789806 3.592270\n0.051034 0.006479 11.867612\nRb Li Nb S\n8 4 4 16\ndirect\n0.265482 0.371978 0.278110 Rb\n0.734519 0.628023 0.721889 Rb\n0.749500 0.156197 0.856334 Rb\n0.751747 0.651547 0.348109 Rb\n0.250500 0.843804 0.143665 Rb\n0.675466 0.098304 0.251823 Rb\n0.324534 0.901696 0.748177 Rb\n0.248253 0.348454 0.651891 Rb\n0.171084 0.009438 0.414394 Li\n0.783651 0.480603 0.071386 Li\n0.828916 0.990563 0.585605 Li\n0.216349 0.519398 0.928614 Li\n0.776769 0.274682 0.485938 Nb\n0.223231 0.725319 0.514062 Nb\n0.211578 0.229205 0.013202 Nb\n0.788423 0.770796 0.986797 Nb\n0.266098 0.101093 0.898369 S\n0.454786 0.856813 0.465290 S\n0.160576 0.115651 0.206984 S\n0.061115 0.146563 0.532168 S\n0.958472 0.376320 0.935533 S\n0.533698 0.661745 0.993905 S\n0.733902 0.898907 0.101631 S\n0.041529 0.623681 0.064466 S\n0.240331 0.619275 0.713297 S\n0.938885 0.853438 0.467831 S\n0.746900 0.404429 0.599367 S\n0.253100 0.595572 0.400633 S\n0.759669 0.380726 0.286702 S\n0.466302 0.338256 0.006094 S\n0.545214 0.143188 0.534709 S\n0.839424 0.884350 0.793015 S\n",
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},
{
"id": "jvasp-28634",
"created_at": "2022-09-04T14:35:40.909079Z",
"updated_at": "2022-09-04T14:35:40.909102Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.225049 0.000000 0.000000\n-1.612524 2.792974 -0.000008\n0.000000 -0.000097 34.140684\nMo W Se S\n1 3 2 6\ndirect\n0.333315 0.666629 0.093454 Mo\n0.333317 0.666633 0.472085 W\n0.666670 0.333339 0.282480 W\n0.666699 0.333396 0.654893 W\n0.333344 0.666688 0.332898 Se\n0.333328 0.666655 0.232062 Se\n0.333374 0.666747 0.700677 S\n0.666649 0.333296 0.047919 S\n0.666649 0.333296 0.426256 S\n0.666648 0.333295 0.139047 S\n0.666651 0.333300 0.517900 S\n0.333357 0.666713 0.609075 S\n",
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{
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"created_at": "2022-09-04T14:35:44.039259Z",
"updated_at": "2022-09-04T14:35:44.039290Z",
"structure_string": "Ca2 V8 Ag4 O24\n1.0\n4.987913 -0.000000 0.000000\n0.000000 10.375145 0.000000\n0.000000 -0.000000 10.375145\nCa V Ag O\n2 8 4 24\ndirect\n0.500000 0.750000 0.750000 Ca\n0.500000 0.250000 0.250000 Ca\n0.000000 0.473493 0.750000 V\n0.000000 0.750000 0.026507 V\n0.000000 0.026507 0.750000 V\n0.000000 0.526506 0.250000 V\n0.000000 0.250000 0.526506 V\n0.000000 0.250000 0.973493 V\n0.000000 0.973493 0.250000 V\n0.000000 0.750000 0.473493 V\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.241905 0.438508 0.178415 O\n0.241905 0.178415 0.061491 O\n0.847782 0.130492 0.869507 O\n0.847782 0.369508 0.630492 O\n0.847782 0.869507 0.369508 O\n0.241905 0.561491 0.678415 O\n0.152217 0.369508 0.869507 O\n0.241905 0.938508 0.821585 O\n0.241905 0.678415 0.938508 O\n0.241905 0.821585 0.561491 O\n0.758095 0.678415 0.561491 O\n0.758095 0.938508 0.678415 O\n0.758095 0.561491 0.821585 O\n0.758095 0.821585 0.938508 O\n0.758095 0.438508 0.321585 O\n0.758095 0.061491 0.178415 O\n0.758095 0.321585 0.061491 O\n0.758095 0.178415 0.438508 O\n0.241905 0.321585 0.438508 O\n0.241905 0.061491 0.321585 O\n0.152217 0.630492 0.369508 O\n0.152217 0.130492 0.630492 O\n0.152217 0.869507 0.130492 O\n0.847782 0.630492 0.130492 O\n",
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{
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"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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"created_at": "2022-09-04T14:35:46.455675Z",
"updated_at": "2022-09-04T14:35:46.455693Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.277750 -0.016784 6.410771\n1.930059 3.817630 6.410771\n-0.027411 -0.016784 7.706906\nK Na B H\n1 1 2 8\ndirect\n0.500000 0.500001 0.499999 K\n0.000000 0.000000 0.000000 Na\n0.254266 0.254266 0.254266 B\n0.745734 0.745736 0.745733 B\n0.802351 0.802353 0.802351 H\n0.514160 0.014241 0.653274 H\n0.485839 0.985761 0.346725 H\n0.346726 0.485841 0.985759 H\n0.653274 0.514161 0.014240 H\n0.197649 0.197649 0.197648 H\n0.014240 0.653275 0.514160 H\n0.985759 0.346727 0.485839 H\n",
"nsites": 12,
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},
{
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"created_at": "2022-09-04T14:35:44.594732Z",
"updated_at": "2022-09-04T14:35:44.594755Z",
"structure_string": "Li4 Be2 Si2 O8\n1.0\n4.723370 0.000000 -0.013219\n0.000000 4.969614 0.000000\n0.016480 0.000000 6.091521\nLi Be Si O\n4 2 2 8\ndirect\n0.999187 0.175920 0.499414 Li\n0.499187 0.824079 0.999414 Li\n0.498941 0.335655 0.747283 Li\n0.998941 0.664344 0.247283 Li\n0.508475 0.321878 0.248347 Be\n0.008475 0.678121 0.748347 Be\n0.008612 0.178220 0.997291 Si\n0.508612 0.821779 0.497291 Si\n0.355967 0.197941 0.026645 O\n0.356082 0.698207 0.718416 O\n0.916597 0.859288 0.968040 O\n0.855967 0.802059 0.526645 O\n0.416597 0.140712 0.468040 O\n0.916139 0.356966 0.779563 O\n0.416139 0.643034 0.279563 O\n0.856082 0.301793 0.218416 O\n",
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},
{
"id": "jvasp-45854",
"created_at": "2022-09-04T14:35:43.320017Z",
"updated_at": "2022-09-04T14:35:43.320045Z",
"structure_string": "Li3 Nb2 Fe3 O10\n1.0\n5.131055 0.043579 -0.021428\n-1.017552 4.951162 0.031208\n-2.504909 -1.891653 7.281802\nLi Nb Fe O\n3 2 3 10\ndirect\n0.876124 0.315741 0.412725 Li\n0.328762 0.389259 0.768546 Li\n0.661141 0.604380 0.207598 Li\n0.736326 0.037292 0.687238 Nb\n0.249554 0.928058 0.308230 Nb\n0.506965 0.003872 0.008354 Fe\n0.911085 0.659835 0.863290 Fe\n0.099536 0.301602 0.099442 Fe\n0.663693 0.856584 0.440717 O\n0.288341 0.681883 0.069852 O\n0.131642 0.062347 0.882476 O\n0.880764 0.989099 0.156799 O\n0.931959 0.405475 0.666935 O\n0.337688 0.120115 0.558542 O\n0.474178 0.233693 0.222031 O\n0.546989 0.771483 0.803515 O\n0.717077 0.314202 0.939383 O\n0.066995 0.551067 0.302565 O\n",
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],
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"formula_full": "Li3 Nb2 Fe3 O10",
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{
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"created_at": "2022-09-04T14:35:43.322485Z",
"updated_at": "2022-09-04T14:35:43.322515Z",
"structure_string": "Li2 Mn3 Nb1 O8\n1.0\n5.868016 0.021833 0.015439\n2.952917 5.070935 0.015439\n2.952917 1.704867 4.775777\nLi Mn Nb O\n2 3 1 8\ndirect\n0.123809 0.123808 0.123809 Li\n0.876192 0.876192 0.876193 Li\n0.000000 0.500001 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500001 Nb\n0.264244 0.264244 0.264244 O\n0.253057 0.253057 0.721895 O\n0.253057 0.721895 0.253057 O\n0.721895 0.253056 0.253057 O\n0.278105 0.746944 0.746944 O\n0.746944 0.278105 0.746944 O\n0.746944 0.746943 0.278106 O\n0.735757 0.735757 0.735757 O\n",
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"elements": [
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"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.689555860534653,
"density_atomic": 0.09894358806655089,
"volume": 141.49476761024067,
"volume_molar": 6.086438623945415,
"formula_full": "Li2 Mn3 Nb1 O8",
"formula_reduced": "Li2Mn3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.281081366009852,
"spacegroup": 166
},
{
"id": "jvasp-86533",
"created_at": "2022-09-04T14:35:44.762213Z",
"updated_at": "2022-09-04T14:35:44.762231Z",
"structure_string": "Li2 U2 As2 O12\n1.0\n5.020961 -0.003536 -0.650928\n-1.397884 5.203256 0.009957\n0.015942 0.079260 10.107872\nLi U As O\n2 2 2 12\ndirect\n0.953890 0.561654 0.226651 Li\n0.046110 0.438346 0.773349 Li\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.411773 0.015746 0.741320 As\n0.588227 0.984254 0.258680 As\n0.183179 0.824705 0.836973 O\n0.538129 0.172990 0.382014 O\n0.273879 0.858178 0.164054 O\n0.461871 0.827010 0.617986 O\n0.280425 0.256218 0.669647 O\n0.726121 0.141822 0.835946 O\n0.719575 0.743782 0.330353 O\n0.823682 0.502406 0.606781 O\n0.235916 0.310555 0.972330 O\n0.176318 0.497594 0.393219 O\n0.816821 0.175294 0.163027 O\n0.764084 0.689445 0.027670 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"U",
"As",
"O"
],
"chemical_system": "As-Li-O-U",
"density": 5.2289550170580394,
"density_atomic": 0.06814469032336726,
"volume": 264.1438373934129,
"volume_molar": 8.8372853870538,
"formula_full": "Li2 U2 As2 O12",
"formula_reduced": "LiUAsO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.82126875,
"spacegroup": 2
}
]
}