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{
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"results": [
{
"id": "jvasp-42949",
"created_at": "2022-09-04T14:38:12.306960Z",
"updated_at": "2022-09-04T14:38:12.306970Z",
"structure_string": "Na6 Mn2 Si2 B2 O14\n1.0\n0.000000 5.223470 0.008154\n6.414811 0.000000 0.000000\n0.000000 -0.361133 -8.877264\nNa Mn Si B O\n6 2 2 2 14\ndirect\n0.229801 0.750000 0.081805 Na\n0.746694 0.989749 0.263160 Na\n0.746694 0.510250 0.263160 Na\n0.253307 0.489749 0.736840 Na\n0.253307 0.010251 0.736840 Na\n0.770200 0.250000 0.918196 Na\n0.215428 0.250000 0.332897 Mn\n0.784572 0.750000 0.667103 Mn\n0.721216 0.250000 0.571176 Si\n0.278785 0.750000 0.428824 Si\n0.278033 0.250000 0.067491 B\n0.721967 0.750000 0.932509 B\n0.528916 0.750000 0.817296 O\n0.785919 0.050128 0.683154 O\n0.785919 0.449871 0.683154 O\n0.412368 0.250000 0.519172 O\n0.106762 0.750000 0.577107 O\n0.893239 0.250000 0.422893 O\n0.684609 0.750000 0.080028 O\n0.214082 0.550128 0.316846 O\n0.214082 0.949871 0.316846 O\n0.471084 0.250000 0.182704 O\n0.038949 0.250000 0.134049 O\n0.961051 0.750000 0.865951 O\n0.587633 0.750000 0.480828 O\n0.315392 0.250000 0.919972 O\n",
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"formula_full": "Na6 Mn2 Si2 B2 O14",
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"spacegroup": 11
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{
"id": "jvasp-48339",
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"updated_at": "2022-09-04T14:35:53.455163Z",
"structure_string": "Li3 Co2 Ge2 O8\n1.0\n5.062238 -0.000327 -0.031762\n0.011711 5.436881 0.010284\n0.037128 0.038009 6.436293\nLi Co Ge O\n3 2 2 8\ndirect\n0.498967 0.168383 0.003070 Li\n0.001926 0.335750 0.253002 Li\n0.000084 0.830796 0.505664 Li\n0.993085 0.833776 0.991761 Co\n0.502722 0.161488 0.502401 Co\n0.994224 0.332096 0.754286 Ge\n0.497111 0.672645 0.253289 Ge\n0.646236 0.284634 0.750110 O\n0.615367 0.833735 0.474287 O\n0.606676 0.358021 0.260572 O\n0.622097 0.834155 0.033899 O\n0.141459 0.681720 0.244528 O\n0.110260 0.175886 0.986528 O\n0.080297 0.647528 0.756103 O\n0.119217 0.185559 0.523261 O\n",
"nsites": 15,
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"elements": [
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"density": 3.861623241243272,
"density_atomic": 0.08467440877221123,
"volume": 177.14915542371944,
"volume_molar": 7.11211432984504,
"formula_full": "Li3 Co2 Ge2 O8",
"formula_reduced": "Li3Co2(GeO4)2",
"formula_anonymous": "A2B2C3D8",
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"spacegroup": 1
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{
"id": "jvasp-103335",
"created_at": "2022-09-04T14:36:42.254212Z",
"updated_at": "2022-09-04T14:36:42.254234Z",
"structure_string": "Yb2 H6 Ru1\n1.0\n4.321925 0.000000 2.495265\n1.440641 4.074751 2.495265\n-0.000000 0.000000 4.990530\nYb H Ru\n2 6 1\ndirect\n0.250000 0.250000 0.249999 Yb\n0.750001 0.750000 0.749998 Yb\n0.756389 0.243612 0.243611 H\n0.756389 0.756388 0.243610 H\n0.243612 0.756388 0.243611 H\n0.756389 0.243612 0.756387 H\n0.243612 0.243612 0.756388 H\n0.243612 0.756388 0.756387 H\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 9,
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"elements": [
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"density": 8.562720442426102,
"density_atomic": 0.10240414541782605,
"volume": 87.88706710337256,
"volume_molar": 5.880758767556389,
"formula_full": "Yb2 H6 Ru1",
"formula_reduced": "Yb2H6Ru",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3348424333333337,
"spacegroup": 225
},
{
"id": "jvasp-21514",
"created_at": "2022-09-04T14:38:11.817167Z",
"updated_at": "2022-09-04T14:38:11.817206Z",
"structure_string": "Y2 P2 O8\n1.0\n5.529429 0.013800 -1.595797\n-3.125524 4.561346 -1.595797\n-0.007250 -0.013800 5.755093\nY P O\n2 2 8\ndirect\n0.125001 0.875001 0.250000 Y\n0.875000 0.125000 0.749999 Y\n0.375001 0.625001 0.749999 P\n0.625001 0.375000 0.250000 P\n0.784425 0.359189 0.074765 O\n0.709660 0.784425 0.925234 O\n0.359190 0.784425 0.574765 O\n0.784425 0.709659 0.425234 O\n0.290342 0.215576 0.074765 O\n0.215577 0.640812 0.925234 O\n0.215576 0.290341 0.574765 O\n0.640812 0.215576 0.425234 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "O-P-Y",
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"density_atomic": 0.08266860035385014,
"volume": 145.15789487950514,
"volume_molar": 7.28467729491386,
"formula_full": "Y2 P2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 141
},
{
"id": "jvasp-99930",
"created_at": "2022-09-04T14:36:38.530042Z",
"updated_at": "2022-09-04T14:36:38.530067Z",
"structure_string": "Sr2 Fe1 Ru1 O6\n1.0\n4.797785 0.000000 2.770003\n1.599262 4.523396 2.770003\n-0.000000 -0.000000 5.540006\nSr Fe Ru O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ru\n0.751498 0.751499 0.248501 O\n0.248502 0.248502 0.751498 O\n0.248502 0.751499 0.248501 O\n0.751499 0.248502 0.751498 O\n0.751499 0.248502 0.248501 O\n0.248502 0.751499 0.751498 O\n",
"nsites": 10,
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"density_atomic": 0.08317338426081287,
"volume": 120.23076960103327,
"volume_molar": 7.240466182205514,
"formula_full": "Sr2 Fe1 Ru1 O6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.334759962,
"spacegroup": 225
},
{
"id": "jvasp-120509",
"created_at": "2022-09-04T14:38:53.700200Z",
"updated_at": "2022-09-04T14:38:53.700225Z",
"structure_string": "Ni4 Ge4 Mo4\n1.0\n4.984119 -0.016277 0.000000\n-2.428440 4.352515 0.000000\n-0.000000 -0.000000 7.481164\nNi Ge Mo\n4 4 4\ndirect\n0.001958 0.998041 0.243260 Ni\n0.001958 0.998041 0.756740 Ni\n0.651481 0.832978 0.500000 Ni\n0.167020 0.348518 0.500000 Ni\n0.166489 0.833509 0.500000 Ge\n0.342799 0.168067 -0.000000 Ge\n0.831932 0.657199 -0.000000 Ge\n0.830731 0.169268 -0.000000 Ge\n0.667458 0.332541 0.324596 Mo\n0.335375 0.664623 0.186248 Mo\n0.335375 0.664623 0.813752 Mo\n0.667458 0.332541 0.675403 Mo\n",
"nsites": 12,
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"elements": [
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"Ge",
"Mo"
],
"chemical_system": "Ge-Mo-Ni",
"density": 9.318626270512594,
"density_atomic": 0.07407564516162544,
"volume": 161.9965641043994,
"volume_molar": 8.12971759727547,
"formula_full": "Ni4 Ge4 Mo4",
"formula_reduced": "NiGeMo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.334684749999999,
"spacegroup": 38
},
{
"id": "jvasp-43051",
"created_at": "2022-09-04T14:36:13.635156Z",
"updated_at": "2022-09-04T14:36:13.635180Z",
"structure_string": "Mn2 Al2 O6\n1.0\n-6.872936 0.204266 3.046092\n4.220275 4.168550 -2.743285\n2.021762 -1.747194 -5.061557\nMn Al O\n2 2 6\ndirect\n0.302842 0.687819 0.051928 Mn\n0.697171 0.312198 -0.051931 Mn\n0.437843 0.633711 0.746127 Al\n0.562150 0.366270 0.253881 Al\n0.756614 0.620145 0.046409 O\n0.802051 0.501377 0.664051 O\n0.513941 0.084608 0.179411 O\n0.486087 0.915402 0.820601 O\n0.197950 0.498648 0.335936 O\n0.243370 0.379835 0.953598 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.2427824110779446,
"density_atomic": 0.07515711705965476,
"volume": 133.05459803710485,
"volume_molar": 8.01273518144665,
"formula_full": "Mn2 Al2 O6",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
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"spacegroup": 2
},
{
"id": "jvasp-44418",
"created_at": "2022-09-04T14:36:12.537845Z",
"updated_at": "2022-09-04T14:36:12.537874Z",
"structure_string": "Na6 Cr2 B2 As2 O14\n1.0\n0.000000 5.292365 0.003841\n6.651097 0.000000 0.000000\n0.000000 -0.283148 -9.045622\nNa Cr B As O\n6 2 2 2 14\ndirect\n0.236397 0.750000 0.072923 Na\n0.752992 0.998641 0.246329 Na\n0.752992 0.501360 0.246329 Na\n0.247008 0.498640 0.753671 Na\n0.247008 0.001360 0.753671 Na\n0.763603 0.250000 0.927077 Na\n0.219289 0.250000 0.327139 Cr\n0.780711 0.750000 0.672861 Cr\n0.720765 0.750000 0.936032 B\n0.279235 0.250000 0.063968 B\n0.286117 0.750000 0.423829 As\n0.713883 0.250000 0.576171 As\n0.526027 0.750000 0.826484 O\n0.791129 0.051665 0.691749 O\n0.791129 0.448335 0.691749 O\n0.391785 0.250000 0.533758 O\n0.127289 0.750000 0.584780 O\n0.872711 0.250000 0.415220 O\n0.685495 0.750000 0.082185 O\n0.208872 0.551665 0.308251 O\n0.208872 0.948336 0.308251 O\n0.473973 0.250000 0.173516 O\n0.042518 0.250000 0.130511 O\n0.957483 0.750000 0.869489 O\n0.608216 0.750000 0.466242 O\n0.314505 0.250000 0.917815 O\n",
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"elements": [
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],
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"formula_full": "Na6 Cr2 B2 As2 O14",
"formula_reduced": "Na3CrBAsO7",
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},
{
"id": "jvasp-39459",
"created_at": "2022-09-04T14:38:04.694446Z",
"updated_at": "2022-09-04T14:38:04.694462Z",
"structure_string": "Rh4 S6\n1.0\n-6.018010 0.000000 0.000000\n3.009004 -5.211749 -0.000000\n-3.009004 1.737249 5.288274\nRh S\n4 6\ndirect\n0.649737 0.350264 0.050790 Rh\n0.850263 0.149736 0.449210 Rh\n0.149738 0.850263 0.550787 Rh\n0.350263 0.649737 0.949211 Rh\n0.949629 0.449628 0.249999 S\n0.550373 0.749999 0.249999 S\n0.250000 0.050371 0.249999 S\n0.750001 0.949628 0.749998 S\n0.449630 0.250000 0.749998 S\n0.050373 0.550370 0.749998 S\n",
"nsites": 10,
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"elements": [
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],
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},
{
"id": "jvasp-97537",
"created_at": "2022-09-04T14:35:50.011926Z",
"updated_at": "2022-09-04T14:35:50.011958Z",
"structure_string": "Ce4 Ge6 O18\n1.0\n7.313731 0.005996 -2.565968\n0.063375 2.870472 8.295445\n-0.052142 -2.891958 8.358474\nCe Ge O\n4 6 18\ndirect\n0.803079 0.913727 0.870634 Ce\n0.196921 0.086273 0.129366 Ce\n0.815288 0.226922 0.187380 Ce\n0.184712 0.773078 0.812620 Ce\n0.490551 0.323131 0.335174 Ge\n0.073480 0.423972 0.427332 Ge\n0.509448 0.676869 0.664826 Ge\n0.514415 0.764650 0.238649 Ge\n0.485585 0.235350 0.761351 Ge\n0.926519 0.576028 0.572668 Ge\n0.689022 0.213263 0.406559 O\n0.969112 0.889794 0.419151 O\n0.030887 0.110205 0.580849 O\n0.462471 0.113877 0.647934 O\n0.537528 0.886123 0.352065 O\n0.011211 0.573543 0.118534 O\n0.988789 0.426457 0.881465 O\n0.310977 0.786737 0.593441 O\n0.321688 0.961783 0.989824 O\n0.476836 0.350281 0.872190 O\n0.327626 0.487636 0.465453 O\n0.672374 0.512364 0.534547 O\n0.707306 0.667739 0.834624 O\n0.678312 0.038217 0.010176 O\n0.991690 0.710903 0.287437 O\n0.008309 0.289097 0.712563 O\n0.523164 0.649719 0.127810 O\n0.292694 0.332261 0.165376 O\n",
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},
{
"id": "jvasp-116114",
"created_at": "2022-09-04T14:38:41.802158Z",
"updated_at": "2022-09-04T14:38:41.802181Z",
"structure_string": "Al1 Cr1 O2\n1.0\n1.478818 0.853796 5.916698\n-1.478818 0.853796 5.916698\n-0.000000 -1.707592 5.916698\nAl Cr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500002 0.500002 0.499999 Cr\n0.891669 0.891669 0.891663 O\n0.108335 0.108335 0.108334 O\n",
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],
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"volume": 44.82285307651591,
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"formula_full": "Al1 Cr1 O2",
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"spacegroup": 166
},
{
"id": "jvasp-68812",
"created_at": "2022-09-04T14:35:45.488370Z",
"updated_at": "2022-09-04T14:35:45.488399Z",
"structure_string": "Mn2 Be2 Zn1\n1.0\n-1.771200 1.771200 4.810583\n1.771200 -1.771200 4.810583\n1.771200 1.771200 -4.810583\nMn Be Zn\n2 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.605210 0.605210 0.000000 Be\n0.394789 0.394789 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n",
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"density": 5.31752182448977,
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"volume": 60.36607105809409,
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"formula_full": "Mn2 Be2 Zn1",
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"formula_anonymous": "AB2C2",
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}
]
}