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"results": [
{
"id": "jvasp-3960",
"created_at": "2022-09-04T14:36:36.016430Z",
"updated_at": "2022-09-04T14:36:36.016454Z",
"structure_string": "Rb2 Pd1 Cl6\n1.0\n6.030102 -0.000000 3.481481\n2.010034 5.685235 3.481481\n0.000000 0.000000 6.962963\nRb Pd Cl\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pd\n0.238564 0.761436 0.761435 Cl\n0.238564 0.761436 0.238564 Cl\n0.761435 0.238565 0.761435 Cl\n0.761435 0.238565 0.238564 Cl\n0.761434 0.761436 0.238564 Cl\n0.238564 0.238565 0.761435 Cl\n",
"nsites": 9,
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{
"id": "jvasp-104882",
"created_at": "2022-09-04T14:36:57.225074Z",
"updated_at": "2022-09-04T14:36:57.225099Z",
"structure_string": "K2 Mn2 F6\n1.0\n5.150454 0.000444 -2.916968\n-1.728303 4.820516 -2.968413\n0.012579 -0.000444 5.919098\nK Mn F\n2 2 6\ndirect\n0.752630 0.750000 0.002630 K\n0.247370 0.250001 0.997371 K\n0.000001 0.500001 0.500001 Mn\n0.500000 0.000000 0.500000 Mn\n0.697082 0.250000 0.447083 F\n0.302918 0.750001 0.552918 F\n0.777657 0.777657 0.500001 F\n0.222344 0.722344 0.000001 F\n0.222344 0.222344 0.500001 F\n0.777656 0.277656 -0.000001 F\n",
"nsites": 10,
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"formula_full": "K2 Mn2 F6",
"formula_reduced": "KMnF3",
"formula_anonymous": "ABC3",
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"spacegroup": 74
},
{
"id": "jvasp-120293",
"created_at": "2022-09-04T14:38:53.591451Z",
"updated_at": "2022-09-04T14:38:53.591477Z",
"structure_string": "Li2 Y1 O3\n1.0\n4.756910 -2.219574 0.007370\n4.756910 2.219574 0.007370\n-0.006799 0.000000 3.478238\nLi Y O\n2 1 3\ndirect\n0.650888 0.650888 0.000312 Li\n0.349112 0.349112 0.999690 Li\n0.000000 0.000000 0.500001 Y\n0.150603 0.150603 0.000189 O\n0.849397 0.849397 0.999813 O\n0.500000 0.500000 0.500001 O\n",
"nsites": 6,
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"elements": [
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"Y",
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],
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"density_atomic": 0.08168947038176677,
"volume": 73.44887868607373,
"volume_molar": 7.371991435194997,
"formula_full": "Li2 Y1 O3",
"formula_reduced": "Li2YO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7102126583333337,
"spacegroup": 65
},
{
"id": "jvasp-110353",
"created_at": "2022-09-04T14:38:38.503813Z",
"updated_at": "2022-09-04T14:38:38.503845Z",
"structure_string": "K2 Sb1 Au1 Cl6\n1.0\n6.485572 -0.000000 3.744447\n2.161858 6.114656 3.744447\n0.000000 0.000000 7.488894\nK Sb Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.749928 0.250072 0.250072 Cl\n0.250072 0.250072 0.749928 Cl\n0.250072 0.749929 0.749928 Cl\n0.250072 0.749929 0.250072 Cl\n0.749928 0.250072 0.749928 Cl\n0.749928 0.749929 0.250072 Cl\n",
"nsites": 10,
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"elements": [
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"Sb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Sb",
"density": 3.408673361884074,
"density_atomic": 0.033671464200643875,
"volume": 296.9873819686397,
"volume_molar": 17.88499818159034,
"formula_full": "K2 Sb1 Au1 Cl6",
"formula_reduced": "K2SbAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-46859",
"created_at": "2022-09-04T14:38:04.170474Z",
"updated_at": "2022-09-04T14:38:04.170498Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.921054 -0.000000 0.000000\n-0.000000 5.341697 0.000000\n0.000000 0.000000 8.812052\nLi Mn F\n4 4 12\ndirect\n0.000000 0.250000 0.200353 Li\n0.000000 0.750000 0.799647 Li\n0.500000 0.750000 0.700353 Li\n0.500000 0.250000 0.299647 Li\n0.000000 0.750000 0.403010 Mn\n0.000000 0.250000 0.596989 Mn\n0.500000 0.750000 0.096989 Mn\n0.500000 0.250000 0.903010 Mn\n0.250000 0.046568 0.750000 F\n0.250000 0.546568 0.250000 F\n0.278934 0.588081 0.908787 F\n0.278934 0.088081 0.091213 F\n0.721065 0.911920 0.908787 F\n0.778933 0.411920 0.408787 F\n0.749999 0.953433 0.250000 F\n0.749999 0.453432 0.750000 F\n0.221066 0.088081 0.408787 F\n0.778933 0.911920 0.591213 F\n0.721065 0.411920 0.091213 F\n0.221066 0.588081 0.591213 F\n",
"nsites": 20,
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"elements": [
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"chemical_system": "F-Li-Mn",
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"volume": 231.64046688520625,
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"formula_full": "Li4 Mn4 F12",
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"spacegroup": 52
},
{
"id": "jvasp-51386",
"created_at": "2022-09-04T14:37:03.679531Z",
"updated_at": "2022-09-04T14:37:03.679554Z",
"structure_string": "Mn4 H4 S2 O12\n1.0\n5.735393 0.010132 2.175567\n1.556721 6.035322 2.633641\n-0.000306 0.027817 6.766371\nMn H S O\n4 4 2 12\ndirect\n0.820661 0.344666 0.150589 Mn\n0.179338 0.655334 0.849412 Mn\n0.320661 0.150589 0.344666 Mn\n0.679338 0.849411 0.655334 Mn\n0.189490 0.052149 0.769662 H\n0.310508 0.230339 0.947851 H\n0.810508 0.947850 0.230339 H\n0.689490 0.769661 0.052150 H\n0.749999 0.315547 0.684453 S\n0.250000 0.684453 0.315547 S\n0.414785 0.459124 0.321310 O\n0.914785 0.321309 0.459124 O\n0.585213 0.540876 0.678691 O\n0.395164 0.844874 0.250370 O\n0.104835 0.749630 0.155126 O\n0.604835 0.155126 0.749631 O\n0.295595 0.950954 0.682021 O\n0.204404 0.317980 0.049046 O\n0.704404 0.049045 0.317980 O\n0.795594 0.682020 0.950955 O\n0.085214 0.678691 0.540876 O\n0.895163 0.250370 0.844875 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 3.4086476775923247,
"density_atomic": 0.09410199879702494,
"volume": 233.78887038790015,
"volume_molar": 6.399588570896957,
"formula_full": "Mn4 H4 S2 O12",
"formula_reduced": "Mn2H2SO6",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 15
},
{
"id": "jvasp-34490",
"created_at": "2022-09-04T14:37:19.866707Z",
"updated_at": "2022-09-04T14:37:19.866733Z",
"structure_string": "Li2 Ca2 Co2 F12\n1.0\n2.518320 -4.361858 -0.000000\n2.518320 4.361858 -0.000000\n0.000000 -0.000000 9.754874\nLi Ca Co F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.371084 0.021583 0.641292 F\n0.978417 0.349501 0.641292 F\n0.371084 0.349501 0.858707 F\n0.628916 0.978417 0.358707 F\n0.978417 0.628916 0.858707 F\n0.628916 0.650499 0.141292 F\n0.021583 0.371084 0.141292 F\n0.349501 0.371084 0.358707 F\n0.021583 0.650499 0.358707 F\n0.650499 0.628916 0.641292 F\n0.349501 0.978417 0.141292 F\n0.650499 0.021583 0.858707 F\n",
"nsites": 18,
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"elements": [
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"Co",
"F"
],
"chemical_system": "Ca-Co-F-Li",
"density": 3.4084299938061244,
"density_atomic": 0.08399209379025284,
"volume": 214.30588508663746,
"volume_molar": 7.169890031600642,
"formula_full": "Li2 Ca2 Co2 F12",
"formula_reduced": "LiCaCoF6",
"formula_anonymous": "ABCD6",
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"spacegroup": 163
},
{
"id": "jvasp-24953",
"created_at": "2022-09-04T14:38:30.998225Z",
"updated_at": "2022-09-04T14:38:30.998242Z",
"structure_string": "K4 Na4 Ge4 O12\n1.0\n4.801822 0.000000 0.000000\n0.000000 6.907163 0.000000\n0.000000 0.000000 10.736453\nK Na Ge O\n4 4 4 12\ndirect\n0.525088 0.886002 0.735807 K\n0.525088 0.386002 0.764192 K\n0.025088 0.613997 0.235807 K\n0.025088 0.113997 0.264193 K\n0.539455 0.878533 0.417101 Na\n0.039455 0.621466 0.917101 Na\n0.539455 0.378534 0.082899 Na\n0.039455 0.121466 0.582899 Na\n0.001244 0.131939 0.950278 Ge\n0.501243 0.868061 0.049722 Ge\n0.501243 0.368061 0.450278 Ge\n0.001244 0.631939 0.549721 Ge\n0.057720 0.839388 0.458135 O\n0.122815 0.913602 0.031778 O\n0.557720 0.160612 0.541865 O\n0.568377 0.860450 0.208254 O\n0.622815 0.586397 0.531778 O\n0.122815 0.413602 0.468222 O\n0.068377 0.639549 0.708254 O\n0.622815 0.086397 0.968222 O\n0.057720 0.339388 0.041865 O\n0.557720 0.660612 0.958135 O\n0.568377 0.360450 0.291746 O\n0.068377 0.139550 0.791746 O\n",
"nsites": 24,
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"Ge",
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],
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"density": 3.408344516229646,
"density_atomic": 0.06739763425350732,
"volume": 356.0955850427503,
"volume_molar": 8.93524057142497,
"formula_full": "K4 Na4 Ge4 O12",
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"spacegroup": 33
},
{
"id": "jvasp-79179",
"created_at": "2022-09-04T14:38:02.005393Z",
"updated_at": "2022-09-04T14:38:02.005409Z",
"structure_string": "Mg3 Sn1\n1.0\n6.354814 -0.215296 0.000000\n-1.681929 2.913187 0.000000\n0.000000 0.000000 5.144181\nMg Sn\n3 1\ndirect\n0.671579 0.671580 0.250000 Mg\n0.333320 0.333320 0.750000 Mg\n0.827952 0.327952 0.750000 Mg\n0.167148 0.667149 0.250000 Sn\n",
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"volume": 93.37022344688695,
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"formula_full": "Mg3 Sn1",
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"spacegroup": 25
},
{
"id": "jvasp-69978",
"created_at": "2022-09-04T14:35:52.698323Z",
"updated_at": "2022-09-04T14:35:52.698341Z",
"structure_string": "Be1 Sb1 P4\n1.0\n0.000000 3.958875 3.958875\n3.958875 -0.000000 3.958875\n3.958875 3.958875 -0.000000\nBe Sb P\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Sb\n0.054770 0.648410 0.648410 P\n0.648410 0.648410 0.648410 P\n0.648410 0.054770 0.648410 P\n0.648410 0.648410 0.054770 P\n",
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},
{
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"created_at": "2022-09-04T14:37:58.637618Z",
"updated_at": "2022-09-04T14:37:58.637640Z",
"structure_string": "Mg8 Si4 O16\n1.0\n5.076796 0.006411 0.002084\n-1.745306 5.489846 0.000917\n-1.585459 -0.886856 9.834503\nMg Si O\n8 4 16\ndirect\n0.012685 0.315527 0.888471 Mg\n0.974200 0.986685 0.079496 Mg\n0.992755 0.267170 0.340922 Mg\n0.493461 0.151104 0.483983 Mg\n0.447403 0.851106 0.205850 Mg\n0.994156 0.035054 0.627051 Mg\n0.539486 0.451110 0.762118 Mg\n0.493454 0.651107 0.483985 Mg\n0.611842 0.399859 0.089437 Si\n0.375047 0.902362 0.878534 Si\n0.984200 0.756067 0.354621 Si\n0.002705 0.546158 0.613352 Si\n0.759528 0.939062 0.414295 O\n0.716456 0.978292 0.904451 O\n0.227375 0.363163 0.553678 O\n0.782653 0.479859 0.433860 O\n0.250529 0.838240 0.017703 O\n0.204253 0.822364 0.534112 O\n0.207420 0.602002 0.311545 O\n0.199577 0.028871 0.304767 O\n0.787327 0.273351 0.663206 O\n0.262246 0.112663 0.798747 O\n0.736364 0.463983 0.950268 O\n0.240799 0.625615 0.775851 O\n0.779483 0.700222 0.656426 O\n0.724651 0.189559 0.169226 O\n0.746101 0.676609 0.192121 O\n0.270440 0.323931 0.063521 O\n",
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"spacegroup": 2
},
{
"id": "jvasp-110324",
"created_at": "2022-09-04T14:37:57.164185Z",
"updated_at": "2022-09-04T14:37:57.164204Z",
"structure_string": "V2 F8\n1.0\n5.074097 -0.609899 0.170484\n2.865572 4.231659 0.170484\n-0.182102 -0.083068 5.320074\nV F\n2 8\ndirect\n-0.000000 0.500000 -0.000000 V\n0.500001 -0.000000 0.499999 V\n0.799432 0.299035 0.000175 F\n0.812218 0.687551 0.312282 F\n0.687551 0.812217 0.812280 F\n0.700966 0.200568 0.499823 F\n0.299035 0.799432 0.500174 F\n0.312449 0.187782 0.187716 F\n0.187783 0.312449 0.687716 F\n0.200568 0.700966 -0.000176 F\n",
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"volume": 123.71135048412278,
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"formula_full": "V2 F8",
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"spacegroup": 64
}
]
}