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{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
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{
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"structure_string": "Ba2 W2 O8\n1.0\n3.845294 -0.000000 -1.043207\n0.000000 6.032138 0.000000\n-0.014143 0.000000 7.556411\nBa W O\n2 2 8\ndirect\n0.143480 0.511968 0.286960 Ba\n0.856519 0.011968 0.713040 Ba\n0.406960 0.490838 0.813919 W\n0.593039 0.990838 0.186080 W\n0.513829 0.693548 0.027661 O\n0.671160 0.223186 0.342319 O\n0.079997 0.977613 0.159994 O\n0.920003 0.477613 0.840005 O\n0.688638 0.790549 0.377277 O\n0.311362 0.290548 0.622722 O\n0.328840 0.723186 0.657680 O\n0.486170 0.193547 0.972339 O\n",
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{
"id": "jvasp-49992",
"created_at": "2022-09-04T14:38:07.746391Z",
"updated_at": "2022-09-04T14:38:07.746403Z",
"structure_string": "Ga12 N4 O12\n1.0\n5.911761 0.002232 0.000895\n2.953931 5.161741 0.007435\n2.953769 1.682867 9.733867\nGa N O\n12 4 12\ndirect\n0.249772 0.251092 0.250254 Ga\n0.810870 0.319975 0.059168 Ga\n0.749785 0.751100 0.250249 Ga\n0.001097 0.492743 0.505958 Ga\n0.498423 0.009482 0.994544 Ga\n0.688672 0.182226 0.441338 Ga\n0.749783 0.251084 0.750254 Ga\n0.249790 0.751088 0.250251 Ga\n0.302083 0.842789 0.553940 Ga\n0.249761 0.251132 0.750245 Ga\n0.197450 0.659422 0.946563 Ga\n0.749745 0.751104 0.750257 Ga\n0.396129 0.343121 0.865513 N\n0.380874 0.886356 0.352813 N\n0.103409 0.159098 0.634984 N\n0.118696 0.615829 0.147690 N\n0.621755 0.118756 0.123321 O\n0.137055 0.118753 0.123319 O\n0.877798 0.383436 0.377179 O\n0.615484 0.649321 0.120618 O\n0.636065 0.629483 0.627258 O\n0.362491 0.383438 0.377184 O\n0.626813 0.112278 0.634987 O\n0.884075 0.852882 0.379883 O\n0.108069 0.629495 0.627263 O\n0.872711 0.389929 0.865519 O\n0.863458 0.872726 0.873246 O\n0.391441 0.872733 0.873243 O\n",
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],
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"volume": 296.8814551269873,
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"formula_full": "Ga12 N4 O12",
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"formula_anonymous": "AB3C3",
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"spacegroup": 12
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{
"id": "jvasp-9107",
"created_at": "2022-09-04T14:38:07.747164Z",
"updated_at": "2022-09-04T14:38:07.747183Z",
"structure_string": "Te8 Ru4\n1.0\n6.485398 0.000000 -0.000000\n-0.000000 6.485398 0.000000\n-0.000000 -0.000000 6.485398\nTe Ru\n8 4\ndirect\n0.372331 0.372331 0.372331 Te\n0.127669 0.627669 0.872332 Te\n0.872332 0.127669 0.627669 Te\n0.627669 0.872332 0.127669 Te\n0.627669 0.627669 0.627669 Te\n0.872332 0.372331 0.127669 Te\n0.127669 0.872332 0.372331 Te\n0.372331 0.127669 0.872332 Te\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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"density": 8.675178961575332,
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{
"id": "jvasp-30732",
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"updated_at": "2022-09-04T14:38:07.751001Z",
"structure_string": "Ba1 Y1 Cu1 Sn1 O5\n1.0\n3.984690 0.000000 0.000000\n0.000000 3.984690 0.000000\n0.000000 0.000000 8.405146\nBa Y Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.032630 Ba\n0.000000 0.000000 0.442637 Y\n0.499999 0.499999 0.277921 Cu\n0.499999 0.499999 0.700004 Sn\n0.000000 0.499999 0.618246 O\n0.499999 0.000000 0.618246 O\n0.000000 0.499999 0.279622 O\n0.499999 0.000000 0.279622 O\n0.499999 0.499999 0.938989 O\n",
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{
"id": "jvasp-46720",
"created_at": "2022-09-04T14:38:07.752567Z",
"updated_at": "2022-09-04T14:38:07.752588Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 4.801384 0.004335\n10.013088 0.000000 0.000000\n0.000000 -0.066862 -6.051290\nLi Mn P O\n2 4 4 16\ndirect\n0.250083 0.797048 0.749792 Li\n0.749916 0.297048 0.250207 Li\n0.297250 0.516084 0.998241 Mn\n0.202800 0.078212 0.501805 Mn\n0.797199 0.578212 0.498194 Mn\n0.702750 0.016084 0.001758 Mn\n0.165422 0.202025 0.000545 P\n0.665469 0.892289 0.500528 P\n0.834578 0.702025 0.999454 P\n0.334531 0.392289 0.499471 P\n0.983859 0.906305 0.514919 O\n0.965902 0.624176 0.196823 O\n0.015871 0.136967 0.205647 O\n0.484101 0.457362 0.294386 O\n0.534191 0.970164 0.303167 O\n0.574489 0.744385 0.500408 O\n0.016140 0.406304 0.485080 O\n0.034097 0.124176 0.803177 O\n0.465809 0.470164 0.696832 O\n0.515899 0.957362 0.705613 O\n0.984129 0.636967 0.794352 O\n0.483818 0.187960 0.014917 O\n0.516181 0.687960 0.985083 O\n0.074572 0.349949 0.000401 O\n0.425511 0.244385 0.499591 O\n0.925428 0.849949 -0.000402 O\n",
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"formula_full": "Li2 Mn4 P4 O16",
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{
"id": "jvasp-109712",
"created_at": "2022-09-04T14:38:07.752868Z",
"updated_at": "2022-09-04T14:38:07.752878Z",
"structure_string": "Mn1 Cd1 Te2\n1.0\n4.377616 -0.001209 6.518159\n1.984783 3.901815 6.518159\n-0.001972 -0.001209 7.851746\nMn Cd Te\n1 1 2\ndirect\n0.498271 0.498269 0.498271 Mn\n0.001296 0.001296 0.001296 Cd\n0.129867 0.129866 0.129867 Te\n0.620569 0.620567 0.620568 Te\n",
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"spacegroup": 160
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{
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"created_at": "2022-09-04T14:38:07.753819Z",
"updated_at": "2022-09-04T14:38:07.753845Z",
"structure_string": "Li4 V2 F10\n1.0\n-4.888062 0.003104 -0.002789\n-0.004057 -5.446423 0.709820\n2.440202 -0.590100 6.169869\nLi V F\n4 2 10\ndirect\n0.189113 0.543210 0.912622 Li\n0.277165 -0.044593 0.088715 Li\n0.721070 0.043199 0.912632 Li\n0.809110 0.455399 0.088710 Li\n0.999110 0.999300 0.500669 V\n0.499102 0.499298 0.500668 V\n-0.045976 0.749303 0.000668 F\n0.307331 -0.051103 0.789953 F\n0.131077 0.332449 0.409715 F\n0.276190 0.832447 0.409720 F\n0.480176 0.448900 0.789945 F\n0.518044 0.549689 0.211398 F\n0.722039 0.166153 0.591623 F\n0.044204 0.249305 0.000669 F\n0.867147 0.666152 0.591622 F\n0.690893 0.049696 0.211388 F\n",
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{
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"structure_string": "Cu2 Pt2 O4\n1.0\n4.281930 -0.000000 0.000000\n-0.000000 4.286742 0.000000\n0.000000 0.000000 5.296874\nCu Pt O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.240113 0.750000 0.250000 O\n0.240113 0.750000 0.749999 O\n0.759887 0.250000 0.250000 O\n0.759887 0.250000 0.749999 O\n",
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{
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"structure_string": "Pr1 Tl1 Te2\n1.0\n-2.290978 -3.968090 0.000000\n-4.581956 0.000000 0.000000\n-2.290978 -1.322697 -8.112322\nPr Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500001 0.500000 Tl\n0.741351 0.741352 0.775948 Te\n0.258650 0.258650 0.224052 Te\n",
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{
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"structure_string": "Pd3 N1\n1.0\n3.008169 3.008169 0.000000\n3.008169 0.000000 -3.008169\n0.000000 3.008169 -3.008169\nPd N\n3 1\ndirect\n0.500000 0.500000 0.500000 Pd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 N\n",
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}