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{
"id": "jvasp-52783",
"created_at": "2022-09-04T14:35:44.945631Z",
"updated_at": "2022-09-04T14:35:44.945653Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 7.841846 0.118089\n4.942641 0.000000 0.000000\n0.000000 -1.480853 -8.247660\nLi Mn P O\n4 4 4 16\ndirect\n0.135280 -0.035796 0.541284 Li\n0.648005 0.037027 0.954710 Li\n0.351996 0.537027 0.045290 Li\n0.864721 0.464204 0.458716 Li\n0.486410 0.593731 0.727019 Mn\n0.025392 0.014954 0.178244 Mn\n0.974609 0.514954 0.821756 Mn\n0.513591 0.093731 0.272981 Mn\n0.742249 0.509033 0.099233 P\n0.257752 0.009033 0.900766 P\n0.768752 0.958416 0.620719 P\n0.231249 0.458416 0.379281 P\n0.422946 0.954810 0.034433 O\n0.068365 0.286378 0.395379 O\n0.894386 0.360238 0.038938 O\n0.293355 0.879881 0.742639 O\n0.706645 0.379881 0.257361 O\n0.783813 0.812795 0.126377 O\n0.374905 0.406950 0.528422 O\n0.625096 0.906950 0.471578 O\n0.817487 0.260642 0.645683 O\n0.577055 0.454810 0.965567 O\n0.216188 0.312795 0.873623 O\n0.931635 0.786378 0.604621 O\n0.297251 0.348555 0.226781 O\n0.105615 0.860238 0.961061 O\n0.702750 0.848555 0.773218 O\n0.182514 0.760642 0.354316 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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{
"id": "jvasp-68224",
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"structure_string": "Mn1 Be1 Pd2\n1.0\n-1.819446 1.819446 4.065594\n1.819446 -1.819446 4.065594\n1.819446 1.819446 -4.065594\nMn Be Pd\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Mn\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 Pd\n0.250000 0.750001 0.500001 Pd\n",
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},
{
"id": "jvasp-43560",
"created_at": "2022-09-04T14:35:44.951459Z",
"updated_at": "2022-09-04T14:35:44.951480Z",
"structure_string": "Li1 V4 O5 F7\n1.0\n4.979421 -0.002907 0.008090\n2.387012 4.701917 0.031790\n2.307519 1.683718 8.316367\nLi V O F\n1 4 5 7\ndirect\n0.428532 0.261208 0.853295 Li\n0.985694 0.989297 0.007074 V\n0.795978 0.728566 0.736219 V\n0.513223 0.519393 0.493345 V\n0.201754 0.263554 0.243900 V\n0.178121 0.186467 0.066978 O\n0.825520 0.423299 0.323900 O\n0.181022 0.564167 0.679156 O\n0.836108 0.837070 0.920445 O\n0.673147 0.671095 0.577789 O\n0.326728 0.314702 0.426873 F\n0.728188 0.386743 0.880616 F\n0.328837 0.951168 0.823285 F\n0.732007 0.129539 0.630854 F\n0.246493 0.877706 0.372837 F\n0.672550 0.067422 0.189330 F\n0.243812 0.622544 0.129758 F\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "F-Li-O-V",
"density": 3.6182839704562855,
"density_atomic": 0.08742816540655704,
"volume": 194.4453474569308,
"volume_molar": 6.88810148536909,
"formula_full": "Li1 V4 O5 F7",
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"formula_anonymous": "AB4C5D7",
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{
"id": "jvasp-97657",
"created_at": "2022-09-04T14:35:44.953120Z",
"updated_at": "2022-09-04T14:35:44.953137Z",
"structure_string": "Rb4 V4 P4 O20\n1.0\n7.586146 0.000000 0.000000\n0.000000 7.840840 0.000000\n0.000000 0.000000 8.403173\nRb V P O\n4 4 4 20\ndirect\n0.370984 0.708487 0.480978 Rb\n0.129016 0.208487 0.519022 Rb\n0.870985 0.291513 0.019022 Rb\n0.629016 0.791513 0.980978 Rb\n0.137002 0.792129 0.872255 V\n0.637002 0.207871 0.627745 V\n0.862999 0.707871 0.372255 V\n0.362999 0.292129 0.127745 V\n0.624976 0.068045 0.343636 P\n0.375024 0.431955 0.843636 P\n0.875025 0.568045 0.656364 P\n0.124976 0.931955 0.156364 P\n0.821208 0.570126 0.233181 O\n0.678793 0.070126 0.766819 O\n0.321208 0.429874 0.266819 O\n0.062599 0.856231 0.316744 O\n0.312798 0.614755 0.811547 O\n0.187202 0.114755 0.188452 O\n0.521116 0.420893 0.974257 O\n0.271778 0.821172 0.075468 O\n0.021115 0.579107 0.525743 O\n0.478885 0.079107 0.474257 O\n0.687202 0.885245 0.311548 O\n0.437402 0.356231 0.683256 O\n0.937402 0.643769 0.816743 O\n0.562599 0.143769 0.183256 O\n0.728223 0.678828 0.575468 O\n0.178793 0.929874 0.733181 O\n0.228223 0.321172 0.924531 O\n0.771778 0.178828 0.424532 O\n0.978885 0.920893 0.025743 O\n0.812798 0.385245 0.688452 O\n",
"nsites": 32,
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"O"
],
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"formula_full": "Rb4 V4 P4 O20",
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},
{
"id": "jvasp-74803",
"created_at": "2022-09-04T14:35:44.954121Z",
"updated_at": "2022-09-04T14:35:44.954144Z",
"structure_string": "La2 Zr1 Be1\n1.0\n-2.335133 2.335133 4.661315\n2.335133 -2.335133 4.661315\n2.335133 2.335133 -4.661315\nLa Zr Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 La\n0.250000 0.749999 0.499999 Zr\n0.749999 0.250000 0.499999 Be\n",
"nsites": 4,
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"Zr",
"Be"
],
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"formula_full": "La2 Zr1 Be1",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-70851",
"created_at": "2022-09-04T14:35:44.955622Z",
"updated_at": "2022-09-04T14:35:44.955638Z",
"structure_string": "Mg1 Mn2 Be1\n1.0\n2.788813 -0.000000 -0.000000\n-0.000000 2.788813 0.000000\n-0.000000 0.000000 6.154273\nMg Mn Be\n1 2 1\ndirect\n0.499999 0.499999 0.744637 Mg\n0.000000 0.000000 0.054891 Mn\n0.499999 0.499999 0.250334 Mn\n0.000000 0.000000 0.450137 Be\n",
"nsites": 4,
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"elements": [
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"Mn",
"Be"
],
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"density": 4.967709193022057,
"density_atomic": 0.08356885378096048,
"volume": 47.8647225494353,
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"formula_full": "Mg1 Mn2 Be1",
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{
"id": "jvasp-67433",
"created_at": "2022-09-04T14:35:44.957445Z",
"updated_at": "2022-09-04T14:35:44.957470Z",
"structure_string": "Hf1 Be1 Co1\n1.0\n1.898205 -3.287787 -0.000000\n1.898205 3.287787 -0.000000\n-0.000000 -0.000000 3.241787\nHf Be Co\n1 1 1\ndirect\n0.666668 0.333334 0.333336 Hf\n0.000000 0.000000 0.833282 Be\n0.333334 0.666668 0.833385 Co\n",
"nsites": 3,
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],
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"volume": 40.463296274894425,
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"formula_full": "Hf1 Be1 Co1",
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},
{
"id": "jvasp-71431",
"created_at": "2022-09-04T14:35:44.961579Z",
"updated_at": "2022-09-04T14:35:44.961599Z",
"structure_string": "Be1 Ni1 Pb2\n1.0\n3.120564 0.000000 0.000000\n0.000000 3.120564 0.000000\n-0.000000 0.000000 8.321912\nBe Ni Pb\n1 1 2\ndirect\n0.000000 0.000000 0.589716 Be\n0.499999 0.499999 0.666081 Ni\n0.000000 0.000000 0.916970 Pb\n0.499999 0.499999 0.327232 Pb\n",
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{
"id": "jvasp-63839",
"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
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{
"id": "jvasp-44255",
"created_at": "2022-09-04T14:35:44.962127Z",
"updated_at": "2022-09-04T14:35:44.962151Z",
"structure_string": "Co6 O2 F10\n1.0\n4.652594 0.021345 -0.018583\n0.195737 5.554053 0.041801\n0.192451 0.445927 7.741354\nCo O F\n6 2 10\ndirect\n0.467630 0.338258 0.194843 Co\n0.499999 -0.000000 0.500000 Co\n0.532369 0.661742 0.805157 Co\n0.996545 0.172360 0.836811 Co\n0.000000 0.500000 0.500000 Co\n0.003454 0.827639 0.163189 Co\n0.714030 0.700196 0.588668 O\n0.285969 0.299803 0.411332 O\n0.203834 0.792893 0.394732 F\n0.309254 0.635887 0.055796 F\n0.298566 0.970091 0.735253 F\n0.701434 0.029909 0.264747 F\n0.796166 0.207107 0.605268 F\n0.805012 0.529074 0.265259 F\n0.802827 0.866649 0.931253 F\n0.197172 0.133350 0.068747 F\n0.690746 0.364112 0.944204 F\n0.194987 0.470925 0.734741 F\n",
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{
"id": "jvasp-65711",
"created_at": "2022-09-04T14:35:44.967440Z",
"updated_at": "2022-09-04T14:35:44.967459Z",
"structure_string": "Ba1 Na2 Hg1\n1.0\n4.183490 -0.000000 -0.000000\n0.000000 4.183490 -0.000000\n0.000000 0.000000 8.036710\nBa Na Hg\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.685436 Na\n0.000000 0.000000 0.314564 Na\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-71505",
"created_at": "2022-09-04T14:35:44.968832Z",
"updated_at": "2022-09-04T14:35:44.968856Z",
"structure_string": "Mg1 Be2 P1\n1.0\n3.121403 0.000000 -0.000000\n0.000000 3.121403 -0.000000\n-0.000000 -0.000000 5.502015\nMg Be P\n1 2 1\ndirect\n0.000000 0.000000 0.493816 Mg\n0.000000 0.000000 0.991747 Be\n0.500000 0.500000 0.194970 Be\n0.500000 0.500000 0.819469 P\n",
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}
]
}