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{
"id": "jvasp-117302",
"created_at": "2022-09-04T14:38:26.339510Z",
"updated_at": "2022-09-04T14:38:26.339535Z",
"structure_string": "Li4 Mn2 P4 O16\n1.0\n4.618818 0.029829 -1.140928\n-0.860385 7.215592 -3.493020\n0.021478 -0.041446 8.626390\nLi Mn P O\n4 2 4 16\ndirect\n0.117073 0.912924 0.684027 Li\n0.363188 0.589265 0.392446 Li\n0.636813 0.410734 0.607554 Li\n0.882930 0.087076 0.315974 Li\n0.274039 0.762647 0.035693 Mn\n0.725963 0.237353 0.964308 Mn\n0.864142 0.682383 0.237226 P\n0.685142 0.800481 0.805649 P\n0.135859 0.317617 0.762774 P\n0.314859 0.199518 0.194351 P\n0.379825 0.336845 0.387939 O\n0.979012 0.261393 0.568862 O\n0.996387 0.183078 0.819988 O\n0.530629 0.702265 0.211170 O\n0.448554 0.015926 0.177446 O\n0.449715 0.285755 0.095704 O\n0.620177 0.663154 0.612060 O\n0.020990 0.738607 0.431139 O\n0.551447 0.984074 0.822553 O\n0.469370 0.297734 0.788829 O\n0.003616 0.816922 0.180011 O\n0.914887 0.479637 0.121522 O\n0.085115 0.520361 0.878477 O\n0.025088 0.840716 0.876835 O\n0.550286 0.714244 0.904296 O\n0.974915 0.159283 0.123165 O\n",
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{
"id": "jvasp-117338",
"created_at": "2022-09-04T14:38:26.338391Z",
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"structure_string": "Pr2 Mn3 Cu9 As7\n1.0\n9.912616 -0.000000 0.000000\n-4.956308 8.584577 0.000000\n-0.000000 0.000000 4.009233\nPr Mn Cu As\n2 3 9 7\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.500000 Pr\n0.427101 0.541247 0.500000 Mn\n0.114146 0.572900 0.500000 Mn\n0.458754 0.885854 0.500000 Mn\n0.288969 0.042219 0.500000 Cu\n0.957781 0.246750 0.500000 Cu\n0.753250 0.711031 0.500000 Cu\n0.175096 0.385056 -0.000000 Cu\n0.209960 0.824905 -0.000000 Cu\n0.713385 0.095405 -0.000000 Cu\n0.904596 0.617980 -0.000000 Cu\n0.382020 0.286616 -0.000000 Cu\n0.614944 0.790040 -0.000000 Cu\n0.035713 0.782588 0.500000 As\n0.622057 0.543892 -0.000000 As\n0.921836 0.377943 -0.000000 As\n0.456108 0.078165 -0.000000 As\n0.746874 0.964287 0.500000 As\n0.217412 0.253127 0.500000 As\n0.333333 0.666667 -0.000000 As\n",
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"formula_full": "Pr2 Mn3 Cu9 As7",
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{
"id": "jvasp-112335",
"created_at": "2022-09-04T14:38:26.338084Z",
"updated_at": "2022-09-04T14:38:26.338100Z",
"structure_string": "Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n",
"nsites": 14,
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{
"id": "jvasp-112294",
"created_at": "2022-09-04T14:38:26.336236Z",
"updated_at": "2022-09-04T14:38:26.336271Z",
"structure_string": "Ta6 V2 Se12\n1.0\n6.037071 -0.000000 0.000000\n-3.018536 5.228257 0.000000\n0.000000 0.000000 12.837614\nTa V Se\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.000501 Ta\n0.666666 0.333334 -0.000501 Ta\n0.666666 0.333334 0.500501 Ta\n0.333333 0.666667 0.499499 Ta\n0.333333 0.666667 0.250000 V\n0.666666 0.333334 0.750000 V\n0.671578 0.666785 0.131048 Se\n0.004794 0.333216 0.868951 Se\n0.328421 0.995207 0.868951 Se\n0.666784 0.671579 0.868951 Se\n0.666784 0.995207 0.631048 Se\n0.671578 0.004794 0.368952 Se\n0.328422 0.333216 0.631048 Se\n0.995206 0.666785 0.368952 Se\n0.995206 0.328422 0.131048 Se\n0.333216 0.328422 0.368952 Se\n0.004794 0.671579 0.631048 Se\n0.333216 0.004794 0.131048 Se\n",
"nsites": 20,
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],
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{
"id": "jvasp-117362",
"created_at": "2022-09-04T14:38:26.328437Z",
"updated_at": "2022-09-04T14:38:26.328460Z",
"structure_string": "Ba6 Nd2 Ir4 O18\n1.0\n5.985205 -0.000785 0.076988\n-2.981640 5.189653 0.076988\n-0.016011 -0.027661 14.944945\nBa Nd Ir O\n6 2 4 18\ndirect\n0.997253 0.002750 0.750000 Ba\n0.002749 0.997251 0.250000 Ba\n0.328034 0.660782 0.596722 Ba\n0.671967 0.339218 0.403278 Ba\n0.339218 0.671966 0.903278 Ba\n0.660783 0.328034 0.096722 Ba\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.322504 0.654551 0.166006 Ir\n0.677497 0.345449 0.833994 Ir\n0.345449 0.677496 0.333994 Ir\n0.654552 0.322504 0.666006 Ir\n0.495227 0.982198 0.242378 O\n0.504774 0.017803 0.757622 O\n0.201678 0.383551 0.419624 O\n0.798323 0.616449 0.580376 O\n0.616449 0.798322 0.080376 O\n0.383552 0.201678 0.919624 O\n0.493487 0.506514 0.250000 O\n0.506515 0.493486 0.750000 O\n0.846085 0.199806 0.908211 O\n0.845950 0.666256 0.902177 O\n0.666257 0.845949 0.402178 O\n0.333745 0.154052 0.597822 O\n0.153916 0.800194 0.091789 O\n0.982199 0.495227 0.742378 O\n0.199806 0.846084 0.408211 O\n0.800196 0.153917 0.591789 O\n0.154052 0.333744 0.097823 O\n0.017802 0.504773 0.257622 O\n",
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],
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"volume": 464.19749890441204,
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{
"id": "jvasp-112278",
"created_at": "2022-09-04T14:38:26.323503Z",
"updated_at": "2022-09-04T14:38:26.323520Z",
"structure_string": "Mn4 Ge4 O12\n1.0\n5.253685 -0.010775 0.789787\n0.957960 6.720122 0.472160\n-0.007705 0.022549 6.804417\nMn Ge O\n4 4 12\ndirect\n0.250000 0.905324 0.094676 Mn\n0.250001 0.276181 0.723819 Mn\n0.750001 0.094676 0.905325 Mn\n0.750001 0.723819 0.276182 Mn\n0.716932 0.608401 0.794059 Ge\n0.783070 0.205942 0.391599 Ge\n0.283069 0.391599 0.205941 Ge\n0.216932 0.794059 0.608402 Ge\n0.084464 0.292543 0.424135 O\n0.415537 0.575865 0.707458 O\n0.381527 0.858810 0.377007 O\n0.118474 0.622993 0.141190 O\n0.618475 0.141190 0.622993 O\n0.862362 0.025512 0.208977 O\n0.137639 0.974489 0.791024 O\n0.362362 0.208976 0.025511 O\n0.584464 0.424136 0.292543 O\n0.637640 0.791024 0.974489 O\n0.881528 0.377008 0.858811 O\n0.915537 0.707458 0.575865 O\n",
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{
"id": "jvasp-111394",
"created_at": "2022-09-04T14:38:26.320597Z",
"updated_at": "2022-09-04T14:38:26.320622Z",
"structure_string": "Mn2 Co2 O6\n1.0\n4.118403 0.000295 2.377448\n1.372779 4.474291 2.377345\n0.000319 0.000363 4.755326\nMn Co O\n2 2 6\ndirect\n0.849266 0.452197 0.849257 Mn\n0.150733 0.547804 0.150744 Mn\n0.654140 0.037580 0.654142 Co\n0.345860 0.962419 0.345859 Co\n0.437432 0.749279 0.062924 O\n0.750361 0.749293 0.437434 O\n0.062917 0.749273 0.750371 O\n0.562567 0.250721 0.937074 O\n0.249639 0.250707 0.562567 O\n0.937080 0.250727 0.249631 O\n",
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"formula_full": "Mn2 Co2 O6",
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},
{
"id": "jvasp-112286",
"created_at": "2022-09-04T14:38:26.318909Z",
"updated_at": "2022-09-04T14:38:26.318937Z",
"structure_string": "Fe4 O4 F4\n1.0\n2.867084 -0.000000 0.000000\n0.000000 4.349225 -0.000005\n-0.000000 0.000001 9.489091\nFe O F\n4 4 4\ndirect\n0.749999 0.492361 0.350332 Fe\n0.749999 0.007639 0.850334 Fe\n0.250000 0.992360 0.149667 Fe\n0.249999 0.507637 0.649668 Fe\n0.749999 0.212052 0.212275 O\n0.250000 0.712055 0.287724 O\n0.749999 0.287946 0.712275 O\n0.250000 0.787944 0.787724 O\n0.749999 0.771992 0.039131 F\n0.250000 0.271993 0.460870 F\n0.749999 0.728007 0.539131 F\n0.250000 0.228008 0.960870 F\n",
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{
"id": "jvasp-117336",
"created_at": "2022-09-04T14:38:26.318855Z",
"updated_at": "2022-09-04T14:38:26.318883Z",
"structure_string": "Th2 Fe17 H3\n1.0\n6.295368 0.029263 0.709639\n0.637396 6.263086 0.709639\n0.032241 0.029263 6.335157\nTh Fe H\n2 17 3\ndirect\n0.655576 0.655575 0.655576 Th\n0.344425 0.344424 0.344425 Th\n0.093750 0.093750 0.093750 Fe\n0.906251 0.906250 0.906251 Fe\n0.661847 0.149911 0.661847 Fe\n0.149912 0.661847 0.661847 Fe\n0.661847 0.661847 0.149912 Fe\n0.338154 0.850089 0.338154 Fe\n0.850089 0.338153 0.338154 Fe\n0.338153 0.338153 0.850089 Fe\n0.280042 0.719959 0.000000 Fe\n0.719959 -0.000001 0.280042 Fe\n0.000000 0.280041 0.719959 Fe\n0.280041 -0.000001 0.719959 Fe\n0.000000 0.719959 0.280041 Fe\n0.719959 0.280041 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 -0.000001 0.500000 H\n",
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{
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"created_at": "2022-09-04T14:38:26.307179Z",
"updated_at": "2022-09-04T14:38:26.307203Z",
"structure_string": "Cr2 Cu1 S4\n1.0\n5.864245 -0.003987 2.720352\n4.912899 3.202001 2.720352\n-0.016076 -0.004770 5.675104\nCr Cu S\n2 1 4\ndirect\n0.756575 0.756573 0.190499 Cr\n0.243426 0.243426 0.809499 Cr\n0.500001 0.499999 0.499999 Cu\n0.383400 0.383399 0.961432 S\n0.616601 0.616599 0.038567 S\n0.853696 0.853694 0.485248 S\n0.146305 0.146305 0.514750 S\n",
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"spacegroup": 12
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{
"id": "jvasp-112284",
"created_at": "2022-09-04T14:38:26.306066Z",
"updated_at": "2022-09-04T14:38:26.306077Z",
"structure_string": "Li2 Cu2 H2 S2 O10\n1.0\n5.675927 0.000000 0.000000\n0.000000 4.534374 0.293422\n-0.000000 -0.811461 7.545519\nLi Cu H S O\n2 2 2 2 10\ndirect\n0.750000 0.813193 0.651427 Li\n0.250000 0.186806 0.348573 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.750000 0.328477 0.827951 H\n0.250000 0.671522 0.172049 H\n0.250000 0.432526 0.737400 S\n0.750000 0.567473 0.262600 S\n0.965405 0.386248 0.258020 O\n0.534596 0.386248 0.258020 O\n0.750000 0.794491 0.404277 O\n0.250000 0.205508 0.595722 O\n0.250000 0.276874 0.918015 O\n0.034596 0.613751 0.741980 O\n0.750000 0.116153 0.846409 O\n0.250000 0.883846 0.153591 O\n0.465404 0.613751 0.741980 O\n0.750000 0.723126 0.081985 O\n",
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{
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"created_at": "2022-09-04T14:38:26.301541Z",
"updated_at": "2022-09-04T14:38:26.301567Z",
"structure_string": "Y2 Se4\n1.0\n4.080641 0.000000 0.000000\n0.000000 4.080641 0.000000\n-0.000000 -0.000000 8.318592\nY Se\n2 4\ndirect\n-0.000000 0.500000 0.726369 Y\n0.500000 -0.000000 0.273631 Y\n0.500000 0.500000 -0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500000 -0.000000 0.630155 Se\n-0.000000 0.500000 0.369844 Se\n",
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}
]
}