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"results": [
{
"id": "jvasp-120580",
"created_at": "2022-09-04T14:38:46.526563Z",
"updated_at": "2022-09-04T14:38:46.526586Z",
"structure_string": "Li4 Ti3 V3 O12\n1.0\n4.940631 0.000521 1.131918\n1.489398 5.640553 1.248306\n-0.014172 -0.019128 7.796165\nLi Ti V O\n4 3 3 12\ndirect\n0.502149 0.165014 0.334444 Li\n0.497852 0.834985 0.665557 Li\n0.993558 0.334485 0.166004 Li\n0.006443 0.665513 0.833998 Li\n0.516392 0.329752 0.667265 Ti\n0.500000 -0.000000 0.000000 Ti\n0.483609 0.670246 0.332737 Ti\n0.000000 0.500000 0.500001 V\n0.994510 0.170795 0.829045 V\n0.005491 0.829204 0.170956 V\n0.264159 0.989218 0.239107 O\n0.257353 0.313003 0.906396 O\n0.746196 0.811852 0.408347 O\n0.760753 0.141353 0.078325 O\n0.253805 0.188147 0.591655 O\n0.757668 0.491834 0.739076 O\n0.735842 0.010781 0.760895 O\n0.733001 0.357316 0.420459 O\n0.266999 0.642683 0.579542 O\n0.742648 0.686996 0.093605 O\n0.242332 0.508165 0.260925 O\n0.239248 0.858646 0.921676 O\n",
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{
"id": "jvasp-85710",
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"updated_at": "2022-09-04T14:36:12.225189Z",
"structure_string": "Li2 H2 Pd1\n1.0\n-1.553122 1.553122 5.121365\n1.553122 -1.553122 5.121365\n1.553122 1.553122 -5.121365\nLi H Pd\n2 2 1\ndirect\n0.645960 0.645960 0.000000 Li\n0.354041 0.354041 0.000000 Li\n0.835047 0.835047 0.000000 H\n0.164954 0.164954 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
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"H",
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],
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},
{
"id": "jvasp-65219",
"created_at": "2022-09-04T14:35:41.834246Z",
"updated_at": "2022-09-04T14:35:41.834271Z",
"structure_string": "Mn1 Be1 Co1\n1.0\n1.220159 -2.113377 0.000000\n1.220159 2.113377 -0.000000\n0.000000 -0.000000 5.748827\nMn Be Co\n1 1 1\ndirect\n0.666668 0.333333 0.332389 Mn\n0.000000 0.000000 0.994987 Be\n0.333333 0.666668 0.672626 Co\n",
"nsites": 3,
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],
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"volume": 29.648494092946052,
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"formula_full": "Mn1 Be1 Co1",
"formula_reduced": "MnBeCo",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-42158",
"created_at": "2022-09-04T14:36:36.697968Z",
"updated_at": "2022-09-04T14:36:36.697995Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n2.753108 4.035830 0.000000\n-2.753108 4.035830 0.000000\n0.000000 0.000000 6.226160\nLi Mn Si O\n2 2 2 8\ndirect\n0.327466 0.327466 0.750000 Li\n0.672535 0.672535 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.346907 0.346907 0.250000 Si\n0.653093 0.653093 0.750000 Si\n0.286548 0.763890 0.750000 O\n0.236110 0.713452 0.250000 O\n0.232134 0.232134 0.033665 O\n0.232134 0.232134 0.466335 O\n0.767866 0.767866 0.533665 O\n0.767866 0.767866 0.966335 O\n0.763890 0.286548 0.750000 O\n0.713452 0.236110 0.250000 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 138.35867214851237,
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"formula_full": "Li2 Mn2 Si2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-117279",
"created_at": "2022-09-04T14:38:47.256472Z",
"updated_at": "2022-09-04T14:38:47.256494Z",
"structure_string": "Li4 Ni6 Sn2 O16\n1.0\n5.806654 0.000000 0.000000\n-2.903327 5.028710 0.000000\n-0.000000 -0.000000 9.476511\nLi Ni Sn O\n4 6 2 16\ndirect\n0.333333 0.666667 0.893032 Li\n0.000000 0.000000 0.995125 Li\n0.000000 0.000000 0.495125 Li\n0.666666 0.333333 0.393032 Li\n0.830307 0.660617 0.715004 Ni\n0.339383 0.169692 0.715004 Ni\n0.830307 0.169692 0.715004 Ni\n0.169692 0.339383 0.215004 Ni\n0.169692 0.830308 0.215004 Ni\n0.660616 0.830308 0.215004 Ni\n0.333333 0.666667 0.493425 Sn\n0.666666 0.333333 0.993425 Sn\n0.312689 0.156344 0.102418 O\n0.843655 0.687311 0.102418 O\n0.666666 0.333333 0.611160 O\n0.515582 0.031165 0.833308 O\n0.515582 0.484417 0.833308 O\n0.687310 0.843656 0.602418 O\n0.484417 0.515583 0.333308 O\n0.031165 0.515583 0.333308 O\n0.156344 0.312689 0.602418 O\n0.000000 0.000000 0.806256 O\n0.000000 0.000000 0.306256 O\n0.333333 0.666667 0.111160 O\n0.968834 0.484417 0.833308 O\n0.156344 0.843656 0.602418 O\n0.484417 0.968835 0.333308 O\n0.843655 0.156344 0.102418 O\n",
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],
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"formula_full": "Li4 Ni6 Sn2 O16",
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},
{
"id": "jvasp-91718",
"created_at": "2022-09-04T14:35:41.561341Z",
"updated_at": "2022-09-04T14:35:41.561369Z",
"structure_string": "Mg3 Ti1 O4\n1.0\n4.291799 -0.000000 0.000000\n0.000000 4.291799 0.000000\n-0.000000 0.000000 4.291799\nMg Ti O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"volume": 79.05295758600317,
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"formula_full": "Mg3 Ti1 O4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 221
},
{
"id": "jvasp-102166",
"created_at": "2022-09-04T14:36:50.591854Z",
"updated_at": "2022-09-04T14:36:50.591881Z",
"structure_string": "V3 Ni1 O6\n1.0\n4.442796 0.037611 3.195001\n1.658116 4.121954 3.195001\n0.055165 0.037611 5.472059\nV Ni O\n3 1 6\ndirect\n0.649984 0.649980 0.649981 V\n0.845847 0.845843 0.845843 V\n0.346971 0.346969 0.346969 V\n0.145804 0.145803 0.145803 Ni\n0.931412 0.581958 0.249552 O\n0.249555 0.931409 0.581958 O\n0.581961 0.249552 0.931410 O\n0.730232 0.066496 0.451753 O\n0.451755 0.730230 0.066496 O\n0.066498 0.451753 0.730231 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.167680542463699,
"density_atomic": 0.10120017065932911,
"volume": 98.81406261322498,
"volume_molar": 5.950721941242943,
"formula_full": "V3 Ni1 O6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 146
},
{
"id": "jvasp-40991",
"created_at": "2022-09-04T14:37:57.430102Z",
"updated_at": "2022-09-04T14:37:57.430126Z",
"structure_string": "Li6 Mn2 P4 O16\n1.0\n0.000000 4.759844 0.001694\n9.059485 0.000000 0.000000\n0.000000 -4.318854 -6.417132\nLi Mn P O\n6 2 4 16\ndirect\n0.336499 0.131255 0.332143 Li\n0.000000 0.500000 0.000000 Li\n0.663501 0.631256 0.167858 Li\n0.000000 0.000000 0.500000 Li\n0.336499 0.368745 0.832143 Li\n0.663502 0.868745 0.667858 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.167521 0.822015 0.192189 P\n0.832479 0.322015 0.307812 P\n0.167522 0.677986 0.692189 P\n0.832479 0.177985 0.807812 P\n0.465595 0.651232 0.662308 O\n0.827328 0.879642 0.992336 O\n0.534405 0.151232 0.837692 O\n0.172673 0.379642 0.507664 O\n0.754295 0.407360 0.116540 O\n0.874349 0.154792 0.291787 O\n0.125651 0.845209 0.708213 O\n0.754295 0.092640 0.616539 O\n0.827327 0.620359 0.492336 O\n0.465595 0.848769 0.162308 O\n0.172673 0.120359 0.007664 O\n0.534405 0.348768 0.337693 O\n0.245705 0.907360 0.383461 O\n0.874349 0.345209 0.791787 O\n0.245706 0.592640 0.883461 O\n0.125651 0.654792 0.208213 O\n",
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"elements": [
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],
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"formula_full": "Li6 Mn2 P4 O16",
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},
{
"id": "jvasp-40675",
"created_at": "2022-09-04T14:37:57.744731Z",
"updated_at": "2022-09-04T14:37:57.744763Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.884203 -0.000000 0.000000\n0.000000 6.217230 0.000000\n0.000000 0.000000 9.110425\nLi Fe Si O\n4 4 4 16\ndirect\n0.976560 0.250000 0.665879 Li\n0.523439 0.250000 0.165878 Li\n0.476560 0.750000 0.834122 Li\n0.023440 0.750000 0.334122 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.027251 0.250000 0.321975 Si\n0.472749 0.250000 0.821975 Si\n0.527250 0.750000 0.178025 Si\n0.972749 0.750000 0.678026 Si\n0.176874 0.032672 0.384455 O\n0.176874 0.467328 0.384455 O\n0.323126 0.032672 0.884455 O\n0.323126 0.467328 0.884455 O\n0.300745 0.750000 0.630841 O\n0.603080 0.750000 0.358328 O\n0.396919 0.250000 0.641673 O\n0.800745 0.250000 0.869159 O\n0.823125 0.532672 0.615546 O\n0.823125 0.967328 0.615546 O\n0.676874 0.532672 0.115545 O\n0.676874 0.967328 0.115545 O\n0.199255 0.750000 0.130841 O\n0.103080 0.250000 0.141673 O\n0.699254 0.250000 0.369159 O\n0.896919 0.750000 0.858328 O\n",
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],
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"formula_full": "Li4 Fe4 Si4 O16",
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"spacegroup": 62
},
{
"id": "jvasp-43884",
"created_at": "2022-09-04T14:37:12.580460Z",
"updated_at": "2022-09-04T14:37:12.580476Z",
"structure_string": "Li6 Fe2 F12\n1.0\n2.486213 -4.306248 -0.000000\n2.486213 4.306248 -0.000000\n0.000000 0.000000 9.228066\nLi Fe F\n6 2 12\ndirect\n0.666666 0.333332 0.047725 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.666666 0.333332 0.452275 Li\n0.333332 0.666666 0.952276 Li\n0.333332 0.666666 0.547725 Li\n0.666666 0.333332 0.750000 Fe\n0.333332 0.666666 0.250000 Fe\n0.326187 0.359054 0.130420 F\n0.032867 0.359054 0.369580 F\n0.326186 0.967132 0.369580 F\n0.967132 0.326186 0.869580 F\n0.032866 0.673813 0.130420 F\n0.359054 0.032867 0.869580 F\n0.967132 0.640945 0.630420 F\n0.673812 0.640945 0.869580 F\n0.640945 0.967132 0.130420 F\n0.359054 0.326187 0.630420 F\n0.673813 0.032866 0.630420 F\n0.640945 0.673812 0.369580 F\n",
"nsites": 20,
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],
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"volume": 197.5959587738239,
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"formula_full": "Li6 Fe2 F12",
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"formula_anonymous": "AB3C6",
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"spacegroup": 163
},
{
"id": "jvasp-103738",
"created_at": "2022-09-04T14:36:43.864787Z",
"updated_at": "2022-09-04T14:36:43.864811Z",
"structure_string": "Hf1 Mn1 N2\n1.0\n3.149248 -0.004021 -0.001171\n1.577594 0.908117 4.600121\n0.005369 0.003091 13.802706\nHf Mn N\n1 1 2\ndirect\n-0.000003 0.999977 0.499999 Hf\n-0.000002 0.999977 0.999998 Mn\n0.000000 -0.000046 0.256268 N\n0.000000 -0.000005 0.743734 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.986043771079059,
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"volume": 39.51683991954587,
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"formula_full": "Hf1 Mn1 N2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-44786",
"created_at": "2022-09-04T14:38:11.172373Z",
"updated_at": "2022-09-04T14:38:11.172395Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184448 0.007013 0.042159\n2.579349 4.497277 -0.042159\n-0.129544 0.223288 10.172443\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.327078 0.656247 0.333562 Li\n0.343754 0.672922 0.833562 Li\n0.653995 0.335560 0.587108 Li\n0.664441 0.346006 0.087108 Li\n0.329238 0.006804 0.115326 Mn\n0.993197 0.670763 0.615326 Mn\n0.678538 0.003613 0.866973 Fe\n0.996388 0.321463 0.366973 Fe\n0.664061 0.000325 0.372885 B\n0.998256 0.668979 0.124240 B\n-0.000325 0.335940 0.872884 B\n0.331021 0.001745 0.624240 B\n0.752506 0.935668 0.084623 O\n0.064332 0.247495 0.584623 O\n0.257788 0.065660 0.897466 O\n0.016943 0.586456 0.839347 O\n0.577133 0.034551 0.652614 O\n0.274354 0.644854 0.138202 O\n0.355147 0.725646 0.638202 O\n0.644616 0.276384 0.385755 O\n0.723617 0.355384 0.885754 O\n0.413545 0.983058 0.339348 O\n0.965450 0.422867 0.152614 O\n0.934342 0.742212 0.397466 O\n",
"nsites": 24,
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],
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"formula_full": "Li4 Mn2 Fe2 B4 O12",
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}
]
}