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{
"id": "jvasp-100695",
"created_at": "2022-09-04T14:36:38.182608Z",
"updated_at": "2022-09-04T14:36:38.182634Z",
"structure_string": "Rb2 Na1 Er1 Cl6\n1.0\n6.450558 -0.000000 3.724232\n2.150186 6.081645 3.724232\n-0.000000 -0.000000 7.448463\nRb Na Er Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Er\n0.754199 0.245801 0.245801 Cl\n0.245802 0.245801 0.754198 Cl\n0.245802 0.754198 0.754198 Cl\n0.245802 0.754198 0.245801 Cl\n0.754199 0.245801 0.754198 Cl\n0.754199 0.754198 0.245801 Cl\n",
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{
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"structure_string": "Li5 Ni5 Sn2 O12\n1.0\n5.197311 0.201975 -0.137312\n2.450416 4.587842 0.137312\n-0.698943 1.115978 9.816945\nLi Ni Sn O\n5 5 2 12\ndirect\n0.186671 0.680225 0.503359 Li\n0.322117 0.817290 0.992044 Li\n0.680224 0.186671 0.996640 Li\n0.817290 0.322117 0.507955 Li\n0.906921 0.906922 0.750000 Li\n0.087812 0.087812 0.250000 Ni\n0.997717 0.506504 0.995484 Ni\n0.506504 0.997717 0.504516 Ni\n0.419112 0.419112 0.250000 Ni\n0.579652 0.579652 0.750000 Ni\n0.753644 0.753644 0.250000 Sn\n0.246824 0.246824 0.750000 Sn\n0.786756 0.042838 0.372937 O\n0.955385 0.226629 0.875732 O\n0.226628 0.955385 0.624268 O\n0.138288 0.370620 0.368000 O\n0.370619 0.138288 0.132000 O\n0.291570 0.529472 0.872429 O\n0.529472 0.291570 0.627571 O\n0.461832 0.721828 0.371191 O\n0.721828 0.461832 0.128809 O\n0.615861 0.854443 0.869670 O\n0.854442 0.615861 0.630330 O\n0.042838 0.786756 0.127062 O\n",
"nsites": 24,
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"formula_full": "Li5 Ni5 Sn2 O12",
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{
"id": "jvasp-102081",
"created_at": "2022-09-04T14:36:42.984834Z",
"updated_at": "2022-09-04T14:36:42.984844Z",
"structure_string": "Rb2 Ag1 Au1 Cl6\n1.0\n6.249514 0.000000 3.608159\n2.083171 5.892099 3.608159\n0.000000 -0.000000 7.216318\nRb Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751795 0.248204 0.248205 Cl\n0.248204 0.248204 0.751796 Cl\n0.248204 0.751796 0.751796 Cl\n0.248204 0.751796 0.248205 Cl\n0.751795 0.248204 0.751796 Cl\n0.751795 0.751796 0.248205 Cl\n",
"nsites": 10,
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{
"id": "jvasp-50122",
"created_at": "2022-09-04T14:36:43.080222Z",
"updated_at": "2022-09-04T14:36:43.080244Z",
"structure_string": "Li1 Ta2 Cu1 O6\n1.0\n5.206988 0.000341 -0.000045\n2.603287 4.509317 -0.000041\n2.603557 1.503468 4.685312\nLi Ta Cu O\n1 2 1 6\ndirect\n0.213241 0.213292 0.360181 Li\n0.995109 0.995172 0.014586 Ta\n0.500612 0.500636 0.498106 Ta\n0.751404 0.751527 0.745459 Cu\n0.367054 0.767642 0.725703 O\n0.767505 0.139544 0.725776 O\n0.139472 0.367198 0.725753 O\n0.882775 0.625668 0.234295 O\n0.257229 0.882837 0.234268 O\n0.625603 0.257286 0.234278 O\n",
"nsites": 10,
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"elements": [
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"density": 7.975771076418285,
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"volume": 110.00744990681292,
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{
"id": "jvasp-106461",
"created_at": "2022-09-04T14:36:43.136342Z",
"updated_at": "2022-09-04T14:36:43.136366Z",
"structure_string": "Rb2 Na1 Sm1 Cl6\n1.0\n6.548246 -0.000000 3.780632\n2.182749 6.173746 3.780632\n-0.000000 -0.000000 7.561263\nRb Na Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Sm\n0.750047 0.249953 0.249953 Cl\n0.249953 0.249953 0.750046 Cl\n0.249953 0.750047 0.750046 Cl\n0.249953 0.750047 0.249953 Cl\n0.750047 0.249953 0.750046 Cl\n0.750047 0.750047 0.249952 Cl\n",
"nsites": 10,
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{
"id": "jvasp-104955",
"created_at": "2022-09-04T14:36:43.214005Z",
"updated_at": "2022-09-04T14:36:43.214025Z",
"structure_string": "In2 Ag1 Te3 I1\n1.0\n7.644211 -0.015029 1.202906\n6.328783 4.287271 1.202906\n0.132855 0.040620 7.931263\nIn Ag Te I\n2 1 3 1\ndirect\n0.565725 0.565725 0.822565 In\n0.807614 0.807614 0.061868 In\n0.312359 0.312359 0.531098 Ag\n0.003884 0.003884 0.040072 Te\n0.228906 0.228906 0.248927 Te\n0.758331 0.758331 0.732470 Te\n0.510679 0.510679 0.500501 I\n",
"nsites": 7,
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],
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"density_atomic": 0.026930091261945992,
"volume": 259.93227917097573,
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"formula_full": "In2 Ag1 Te3 I1",
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{
"id": "jvasp-100403",
"created_at": "2022-09-04T14:36:43.400447Z",
"updated_at": "2022-09-04T14:36:43.400467Z",
"structure_string": "Fe1 Ni1 P2 S6\n1.0\n5.743564 -0.022403 0.816014\n-3.020992 4.884941 0.816014\n0.083121 0.148455 6.442176\nFe Ni P S\n1 1 2 6\ndirect\n0.666786 0.333214 -0.000001 Fe\n0.332823 0.667177 -0.000001 Ni\n0.061526 0.061529 0.822821 P\n0.938472 0.938475 0.177178 P\n0.734052 0.721322 0.763106 S\n0.278679 0.265949 0.236893 S\n0.067897 0.428313 0.762962 S\n0.441260 0.093183 0.764327 S\n0.906818 0.558741 0.235673 S\n0.571688 0.932104 0.237037 S\n",
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"volume": 178.9173400329207,
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"formula_full": "Fe1 Ni1 P2 S6",
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{
"id": "jvasp-103978",
"created_at": "2022-09-04T14:36:43.219460Z",
"updated_at": "2022-09-04T14:36:43.219487Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.778546 0.059985 0.437202\n0.725888 4.286057 0.360394\n0.165553 0.040197 13.634367\nCd H C O\n1 14 9 4\ndirect\n0.856001 0.042398 0.835509 Cd\n0.562957 0.317671 0.398391 H\n0.898704 0.830987 0.118211 H\n0.310653 0.836912 0.163158 H\n0.607993 0.836605 0.305521 H\n0.033822 0.820637 0.345381 H\n0.989975 0.299249 0.436828 H\n0.322468 0.797085 0.493261 H\n0.159311 0.323402 0.040858 H\n0.567632 0.309578 0.089126 H\n0.844140 0.332729 0.221109 H\n0.267410 0.320538 0.261140 H\n0.321530 0.250658 0.575028 H\n0.742806 0.244036 0.612474 H\n0.753008 0.784978 0.530567 H\n0.468221 0.645372 0.969123 C\n0.334799 0.471752 0.062961 C\n0.137654 0.678981 0.145130 C\n0.027122 0.482855 0.238622 C\n0.572831 0.638476 0.509662 C\n0.746518 0.464551 0.417770 C\n0.494629 0.404680 0.595986 C\n0.304976 0.528294 0.693051 C\n0.849687 0.673487 0.326680 C\n0.308343 0.923501 0.945558 O\n0.344133 0.342821 0.771239 O\n0.101266 0.795877 0.693435 O\n0.751346 0.521507 0.915848 O\n",
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{
"id": "jvasp-101954",
"created_at": "2022-09-04T14:36:43.287130Z",
"updated_at": "2022-09-04T14:36:43.287147Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.926606 0.068910 -0.058839\n1.478355 4.380165 0.340175\n-0.191782 -0.103008 9.365599\nCd H C O\n1 8 6 4\ndirect\n0.605360 0.719559 0.796053 Cd\n0.851979 0.682862 0.485703 H\n0.278581 0.588953 0.416764 H\n0.743579 0.477479 0.274490 H\n0.372188 0.283199 0.193898 H\n0.932856 0.850142 0.175350 H\n0.359358 0.756457 0.106342 H\n0.839045 0.156082 0.398143 H\n0.467708 0.961826 0.317569 H\n0.960596 0.134049 0.994921 C\n0.129781 0.951982 0.134591 C\n0.251481 0.128518 0.248448 C\n0.250452 0.305150 0.597181 C\n0.081500 0.487250 0.457489 C\n0.959784 0.310758 0.343611 C\n-0.005496 0.990158 0.880008 O\n0.419508 0.018489 0.594413 O\n0.216330 0.449020 0.712108 O\n0.791557 0.420713 -0.002305 O\n",
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{
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"created_at": "2022-09-04T14:36:43.490319Z",
"updated_at": "2022-09-04T14:36:43.490337Z",
"structure_string": "Rb2 Sc1 Au1 F6\n1.0\n5.475528 -0.000000 3.161298\n1.825176 5.162377 3.161298\n-0.000000 -0.000000 6.322595\nRb Sc Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.225726 0.225725 0.774275 F\n0.225726 0.774275 0.774275 F\n0.774275 0.774275 0.225726 F\n0.225726 0.774275 0.225725 F\n0.774275 0.225725 0.774275 F\n0.774275 0.225725 0.225726 F\n",
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{
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"structure_string": "Li1 Cu2 P1 O4\n1.0\n-0.000000 4.286721 0.000000\n2.143360 -2.143360 4.685871\n4.286721 -0.000000 -0.000000\nLi Cu P O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.500000 0.250000 Cu\n0.750000 0.500000 0.750000 Cu\n0.500000 -0.000000 0.500000 P\n0.805982 0.189325 0.194018 O\n0.383343 0.189325 0.616657 O\n0.194018 0.810675 0.383343 O\n0.616657 0.810675 0.805982 O\n",
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"formula_full": "Li1 Cu2 P1 O4",
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},
{
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"created_at": "2022-09-04T14:36:43.610575Z",
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"structure_string": "K2 Cu1 Bi1 Cl6\n1.0\n6.341866 -0.000000 3.661478\n2.113955 5.979168 3.661478\n-0.000000 -0.000000 7.322956\nK Cu Bi Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.738341 0.261660 0.261660 Cl\n0.261660 0.261660 0.738341 Cl\n0.261660 0.738340 0.738341 Cl\n0.261660 0.738340 0.261660 Cl\n0.738341 0.261660 0.738341 Cl\n0.738341 0.738340 0.261660 Cl\n",
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}
]
}