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"results": [
{
"id": "jvasp-9521",
"created_at": "2022-09-04T14:37:19.311930Z",
"updated_at": "2022-09-04T14:37:19.311958Z",
"structure_string": "Ca2 Cr2 F8\n1.0\n-5.461996 0.001524 -0.000870\n-0.001603 -5.461992 -0.003195\n2.730863 2.726823 5.311070\nCa Cr F\n2 2 8\ndirect\n0.250822 0.250131 0.500857 Ca\n0.750819 0.750137 0.500865 Ca\n0.500850 0.000149 0.000884 Cr\n0.000788 0.500137 0.000834 Cr\n0.448165 0.313402 0.261441 F\n0.187597 0.052762 0.740270 F\n0.553541 0.686880 0.740351 F\n0.053450 0.552757 0.740231 F\n0.814091 0.947521 0.261493 F\n0.314040 0.813374 0.261394 F\n0.948117 0.447459 0.261406 F\n0.687579 0.186863 0.740282 F\n",
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{
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"structure_string": "K2 Pt1 S6\n1.0\n-3.572159 -6.262358 0.088982\n-3.637281 6.299955 0.000000\n0.282438 0.163066 -4.850191\nK Pt S\n2 1 6\ndirect\n0.392392 0.696195 0.732043 K\n0.607608 0.303804 0.267957 K\n0.000000 0.000000 0.000000 Pt\n0.700402 0.850200 0.268467 S\n0.091075 0.748883 0.187359 S\n0.091075 0.342194 0.187359 S\n0.299598 0.149799 0.731534 S\n0.908925 0.251117 0.812642 S\n0.908925 0.657806 0.812642 S\n",
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{
"id": "jvasp-98625",
"created_at": "2022-09-04T14:36:06.146088Z",
"updated_at": "2022-09-04T14:36:06.146123Z",
"structure_string": "Ce4 Mg8 H28\n1.0\n6.264321 -0.000000 -0.000000\n-0.000000 6.264321 -0.000000\n-0.000000 -0.000000 9.403023\nCe Mg H\n4 8 28\ndirect\n0.769140 0.230860 0.750000 Ce\n0.230860 0.769140 0.250000 Ce\n0.730860 0.730860 0.500000 Ce\n0.269140 0.269140 0.000000 Ce\n0.025995 0.262117 0.352152 Mg\n0.974005 0.737883 0.852152 Mg\n0.237883 0.525995 0.602152 Mg\n0.762117 0.474005 0.102152 Mg\n0.737883 0.974005 0.147848 Mg\n0.474005 0.762117 0.897848 Mg\n0.525995 0.237883 0.397848 Mg\n0.262117 0.025995 0.647848 Mg\n0.840763 0.695562 0.246721 H\n0.072999 0.435472 0.178782 H\n0.804438 0.340763 0.496721 H\n0.195562 0.659236 0.996721 H\n0.159236 0.304438 0.746721 H\n0.744219 0.255781 0.250000 H\n0.340763 0.804438 0.503279 H\n0.695562 0.840763 0.753279 H\n0.304438 0.159236 0.253279 H\n0.255781 0.744219 0.750000 H\n0.927001 0.564527 0.678782 H\n0.659236 0.195562 0.003279 H\n0.064528 0.572999 0.428782 H\n0.035288 0.028238 0.127093 H\n0.435472 0.072999 0.821218 H\n0.564527 0.927001 0.321218 H\n0.427001 0.935472 0.071218 H\n0.572999 0.064528 0.571218 H\n0.244219 0.244219 0.500000 H\n0.964712 0.971762 0.627093 H\n0.471762 0.535288 0.377093 H\n0.528238 0.464712 0.877093 H\n0.028238 0.035288 0.872907 H\n0.971762 0.964712 0.372907 H\n0.464712 0.528238 0.122907 H\n0.535288 0.471762 0.622907 H\n0.935472 0.427001 0.928782 H\n0.755780 0.755780 0.000000 H\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.5242394752316,
"density_atomic": 0.10840379467326601,
"volume": 368.99077306806305,
"volume_molar": 5.555285936392732,
"formula_full": "Ce4 Mg8 H28",
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{
"id": "jvasp-39881",
"created_at": "2022-09-04T14:37:39.761042Z",
"updated_at": "2022-09-04T14:37:39.761054Z",
"structure_string": "Li2 Ca1 Sn1\n1.0\n-0.000000 3.439120 3.439120\n3.439120 0.000000 3.439120\n3.439120 3.439120 0.000000\nLi Ca Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 4,
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"volume": 81.35270257425304,
"volume_molar": 12.247935652714155,
"formula_full": "Li2 Ca1 Sn1",
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{
"id": "jvasp-13388",
"created_at": "2022-09-04T14:36:49.336870Z",
"updated_at": "2022-09-04T14:36:49.336891Z",
"structure_string": "K8 Te4 Se12\n1.0\n0.000000 10.054546 0.033023\n6.571257 0.000000 0.000000\n0.000000 -3.472624 -12.637983\nK Te Se\n8 4 12\ndirect\n0.489926 0.254713 0.374481 K\n0.510075 0.754713 0.125520 K\n0.510075 0.745287 0.625519 K\n0.489926 0.245287 0.874480 K\n0.834090 0.760488 0.451422 K\n0.165910 0.260488 0.048578 K\n0.165910 0.239512 0.548578 K\n0.834091 0.739512 0.951422 K\n0.790197 0.218084 0.666418 Te\n0.209804 0.718084 0.833582 Te\n0.209803 0.781916 0.333582 Te\n0.790197 0.281916 0.166418 Te\n0.847090 0.843386 0.704463 Se\n0.472333 0.756727 0.367849 Se\n0.527668 0.256727 0.132151 Se\n0.527668 0.243273 0.632151 Se\n0.472333 0.743273 0.867849 Se\n0.175254 0.760733 0.017810 Se\n0.824746 0.260733 0.482190 Se\n0.824746 0.239267 0.982190 Se\n0.175254 0.739267 0.517810 Se\n0.152911 0.156614 0.295537 Se\n0.847089 0.656614 0.204463 Se\n0.152911 0.343386 0.795537 Se\n",
"nsites": 24,
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"elements": [
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"Te",
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"density": 3.524512745774961,
"density_atomic": 0.028768331381607955,
"volume": 834.2506793891972,
"volume_molar": 20.933229251697405,
"formula_full": "K8 Te4 Se12",
"formula_reduced": "K2TeSe3",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-47722",
"created_at": "2022-09-04T14:37:30.552173Z",
"updated_at": "2022-09-04T14:37:30.552193Z",
"structure_string": "Li3 V2 O6\n1.0\n4.908466 0.073670 -0.107243\n-2.341290 4.389165 0.001367\n-1.088663 -1.648741 4.786802\nLi V O\n3 2 6\ndirect\n0.004303 0.500335 -0.000283 Li\n0.680384 0.884971 -0.038534 Li\n0.328272 0.115735 0.038093 Li\n0.832508 0.676867 0.455332 V\n0.176173 0.323898 0.544161 V\n0.801745 0.297657 0.258717 O\n0.206953 0.703099 0.740774 O\n0.960023 0.085073 0.738695 O\n0.426469 0.555300 0.275624 O\n0.582243 0.445497 0.723822 O\n0.048691 0.915706 0.260808 O\n",
"nsites": 11,
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"elements": [
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"V",
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"chemical_system": "Li-O-V",
"density": 3.5245844966982944,
"density_atomic": 0.10675739435718393,
"volume": 103.03735929706856,
"volume_molar": 5.640958920233104,
"formula_full": "Li3 V2 O6",
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"formula_anonymous": "A2B3C6",
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"spacegroup": 2
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{
"id": "jvasp-90648",
"created_at": "2022-09-04T14:36:12.673773Z",
"updated_at": "2022-09-04T14:36:12.673805Z",
"structure_string": "Al2 H2 O4\n1.0\n0.000000 0.000000 -2.858431\n-0.000000 -4.184933 0.000000\n-4.725179 -0.000000 0.000000\nAl H O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.739090 0.145979 O\n0.500000 0.260909 0.854022 O\n0.000000 0.760909 0.645979 O\n0.000000 0.239091 0.354022 O\n",
"nsites": 8,
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"elements": [
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"volume": 56.52420824933858,
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"formula_full": "Al2 H2 O4",
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},
{
"id": "jvasp-120015",
"created_at": "2022-09-04T14:38:52.394943Z",
"updated_at": "2022-09-04T14:38:52.394967Z",
"structure_string": "C1 Br1\n1.0\n3.900760 -0.000000 0.000000\n-1.950380 3.378157 -0.000000\n0.000000 0.000000 3.286135\nC Br\n1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n",
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},
{
"id": "jvasp-58872",
"created_at": "2022-09-04T14:37:01.104291Z",
"updated_at": "2022-09-04T14:37:01.104313Z",
"structure_string": "K8 Te4 Se12\n1.0\n0.000000 10.056269 0.034557\n6.570818 0.000000 0.000000\n0.000000 -3.475154 -12.636033\nK Te Se\n8 4 12\ndirect\n0.490020 0.254651 0.374449 K\n0.509980 0.754651 0.125551 K\n0.509981 0.745349 0.625551 K\n0.490020 0.245349 0.874449 K\n0.834018 0.760350 0.451539 K\n0.165982 0.260350 0.048461 K\n0.165982 0.239650 0.548461 K\n0.834018 0.739650 0.951539 K\n0.790232 0.218005 0.666518 Te\n0.209769 0.718005 0.833481 Te\n0.209768 0.781995 0.333482 Te\n0.790232 0.281995 0.166518 Te\n0.847006 0.843241 0.704565 Se\n0.472286 0.756649 0.367853 Se\n0.527714 0.256649 0.132147 Se\n0.527714 0.243351 0.632146 Se\n0.472286 0.743351 0.867853 Se\n0.175158 0.760610 0.017699 Se\n0.824843 0.260610 0.482300 Se\n0.824843 0.239390 0.982300 Se\n0.175158 0.739391 0.517699 Se\n0.152995 0.156759 0.295434 Se\n0.847006 0.656759 0.204565 Se\n0.152995 0.343241 0.795434 Se\n",
"nsites": 24,
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},
{
"id": "jvasp-118555",
"created_at": "2022-09-04T14:38:34.865395Z",
"updated_at": "2022-09-04T14:38:34.865414Z",
"structure_string": "Li1 I1 O1\n1.0\n4.478290 -0.000000 0.000000\n-2.239145 3.878313 -0.000000\n-0.000000 -0.000000 4.064288\nLi I O\n1 1 1\ndirect\n0.333334 0.666666 0.000000 Li\n0.000000 0.000000 0.000000 I\n0.666667 0.333333 0.000000 O\n",
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},
{
"id": "jvasp-9529",
"created_at": "2022-09-04T14:37:16.920404Z",
"updated_at": "2022-09-04T14:37:16.920440Z",
"structure_string": "Mg4 Ti4 O8\n1.0\n2.849096 0.000093 0.000082\n1.424407 8.402621 0.048337\n1.423901 1.693062 8.209003\nMg Ti O\n4 4 8\ndirect\n0.614688 0.967094 0.803639 Mg\n0.389471 0.052985 0.168159 Mg\n0.933257 0.259804 0.873766 Mg\n0.070927 0.760275 0.098040 Mg\n0.339603 0.845860 0.475058 Ti\n0.787290 0.616239 0.809286 Ti\n0.216884 0.403842 0.162500 Ti\n0.664518 0.174230 0.496742 Ti\n0.141225 0.332966 0.384620 O\n0.653114 0.587607 0.106311 O\n0.351057 0.432472 0.865498 O\n0.862912 0.687115 0.587167 O\n0.916800 0.880452 0.286045 O\n0.183787 0.787200 0.845343 O\n0.087337 0.139641 0.685755 O\n0.820380 0.232876 0.126453 O\n",
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"volume": 196.28746912218242,
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"formula_full": "Mg4 Ti4 O8",
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},
{
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"created_at": "2022-09-04T14:36:09.560808Z",
"updated_at": "2022-09-04T14:36:09.560825Z",
"structure_string": "Li4 Mn4 F16\n1.0\n6.285638 -0.000000 0.000000\n0.000000 6.305176 0.000000\n0.000000 0.000000 6.555029\nLi Mn F\n4 4 16\ndirect\n0.249979 0.250000 0.250034 Li\n0.250021 0.750000 0.750034 Li\n0.749979 0.250000 0.249966 Li\n0.750021 0.750000 0.749966 Li\n-0.000007 0.250000 0.749916 Mn\n0.500007 0.750000 0.249916 Mn\n0.499993 0.250000 0.750084 Mn\n0.000007 0.750000 0.250084 Mn\n0.750055 0.250000 0.945738 F\n0.750062 0.750000 0.054257 F\n0.749938 0.250000 0.554257 F\n0.749946 0.750000 0.445738 F\n0.500002 0.540216 0.750085 F\n0.500002 0.959785 0.750085 F\n0.499998 0.459785 0.249915 F\n0.249938 0.250000 0.945743 F\n0.250055 0.250000 0.554262 F\n0.250062 0.750000 0.445743 F\n0.999998 0.459785 0.250085 F\n0.249946 0.750000 0.054262 F\n0.000002 0.540216 0.749915 F\n0.000002 0.959785 0.749915 F\n0.499998 0.040216 0.249915 F\n0.999998 0.040216 0.250085 F\n",
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"formula_full": "Li4 Mn4 F16",
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]
}