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{
"id": "jvasp-78402",
"created_at": "2022-09-04T14:37:08.811953Z",
"updated_at": "2022-09-04T14:37:08.811973Z",
"structure_string": "Rb1 P1\n1.0\n0.000000 -4.898355 0.000000\n3.629643 -2.449177 -2.200911\n3.285800 -2.449177 2.692831\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500000 0.500000 P\n",
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{
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"structure_string": "Ba4 Li1 P1\n1.0\n-0.000000 4.999241 4.999241\n4.999241 0.000000 4.999241\n4.999241 4.999241 -0.000000\nBa Li P\n4 1 1\ndirect\n0.118923 0.627026 0.627026 Ba\n0.627026 0.627026 0.627026 Ba\n0.627026 0.118923 0.627026 Ba\n0.627026 0.627026 0.118923 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 P\n",
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{
"id": "jvasp-78455",
"created_at": "2022-09-04T14:37:15.742366Z",
"updated_at": "2022-09-04T14:37:15.742389Z",
"structure_string": "Rb1 P1\n1.0\n2.723305 2.449687 3.242274\n2.723305 -2.449687 3.242274\n4.885963 0.000000 -0.425251\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.499999 0.500001 P\n",
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"elements": [
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"volume": 83.28798115056533,
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"formula_full": "Rb1 P1",
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{
"id": "jvasp-117853",
"created_at": "2022-09-04T14:38:54.060393Z",
"updated_at": "2022-09-04T14:38:54.060429Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n5.898627 0.000505 0.002349\n0.000693 5.949437 -0.085166\n-0.003347 -0.093977 5.932829\nRb Pb Br\n1 1 3\ndirect\n0.006022 -0.035651 0.070863 Rb\n0.505989 0.512563 0.483209 Pb\n0.506024 0.567217 0.977000 Br\n0.505970 0.015326 0.465408 Br\n0.005998 0.490542 0.433519 Br\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.246982051886633,
"density_atomic": 0.024020373923365822,
"volume": 208.1566263685949,
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"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 6
},
{
"id": "jvasp-64806",
"created_at": "2022-09-04T14:35:58.292773Z",
"updated_at": "2022-09-04T14:35:58.292799Z",
"structure_string": "Ba4 In1 Sb1\n1.0\n0.000000 4.998480 4.998480\n4.998480 -0.000000 4.998480\n4.998480 4.998480 0.000000\nBa In Sb\n4 1 1\ndirect\n0.121825 0.626058 0.626058 Ba\n0.626058 0.626058 0.626058 Ba\n0.626058 0.121825 0.626058 Ba\n0.626058 0.626058 0.121825 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
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"density": 5.224741135088988,
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"volume": 249.77206930497636,
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"formula_full": "Ba4 In1 Sb1",
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},
{
"id": "jvasp-64512",
"created_at": "2022-09-04T14:35:42.256788Z",
"updated_at": "2022-09-04T14:35:42.256815Z",
"structure_string": "Ba4 Hg1 Sb1\n1.0\n-0.000000 4.998321 4.998321\n4.998321 0.000000 4.998321\n4.998321 4.998321 -0.000000\nBa Hg Sb\n4 1 1\ndirect\n0.120928 0.626357 0.626357 Ba\n0.626357 0.626357 0.626357 Ba\n0.626357 0.120928 0.626357 Ba\n0.626357 0.626357 0.120928 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.795525098522649,
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"volume": 249.7482345617636,
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{
"id": "jvasp-64238",
"created_at": "2022-09-04T14:35:41.011219Z",
"updated_at": "2022-09-04T14:35:41.011239Z",
"structure_string": "Ba4 Ca1 Ru1\n1.0\n-0.000000 4.998304 4.998304\n4.998304 0.000000 4.998304\n4.998304 4.998304 -0.000000\nBa Ca Ru\n4 1 1\ndirect\n0.119089 0.626970 0.626970 Ba\n0.626970 0.626970 0.626970 Ba\n0.626970 0.119089 0.626970 Ba\n0.626970 0.626970 0.119089 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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"Ca",
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"volume": 249.7456862827232,
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{
"id": "jvasp-109252",
"created_at": "2022-09-04T14:38:20.593368Z",
"updated_at": "2022-09-04T14:38:20.593391Z",
"structure_string": "Rb2 Tl1 Bi1 Br6\n1.0\n7.257844 -0.000000 4.190318\n2.419281 6.842761 4.190318\n-0.000000 -0.000000 8.380636\nRb Tl Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Bi\n0.759153 0.240846 0.240847 Br\n0.240846 0.240846 0.759154 Br\n0.240846 0.759154 0.759155 Br\n0.240846 0.759154 0.240847 Br\n0.759153 0.240846 0.759155 Br\n0.759153 0.759154 0.240847 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
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"Br"
],
"chemical_system": "Bi-Br-Rb-Tl",
"density": 4.243867252769553,
"density_atomic": 0.024026140982118898,
"volume": 416.2133239558676,
"volume_molar": 25.06495223049715,
"formula_full": "Rb2 Tl1 Bi1 Br6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-118567",
"created_at": "2022-09-04T14:38:45.550376Z",
"updated_at": "2022-09-04T14:38:45.550410Z",
"structure_string": "Rb1 I1 N1\n1.0\n3.992417 0.000000 0.000000\n0.000000 3.992417 0.000000\n0.000000 0.000000 7.833390\nRb I N\n1 1 1\ndirect\n0.000000 0.000000 0.690757 Rb\n0.000000 0.000000 0.256216 I\n0.000000 0.000000 0.008980 N\n",
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"elements": [
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],
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"density_atomic": 0.02402700911389934,
"volume": 124.85948566376227,
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"formula_full": "Rb1 I1 N1",
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},
{
"id": "jvasp-64184",
"created_at": "2022-09-04T14:35:42.307663Z",
"updated_at": "2022-09-04T14:35:42.307713Z",
"structure_string": "Ba4 Cd1 Se1\n1.0\n0.000000 4.997938 4.997938\n4.997938 0.000000 4.997938\n4.997938 4.997938 0.000000\nBa Cd Se\n4 1 1\ndirect\n0.121166 0.626278 0.626278 Ba\n0.626278 0.626278 0.626278 Ba\n0.626278 0.121166 0.626278 Ba\n0.626278 0.626278 0.121166 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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],
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{
"id": "jvasp-4304",
"created_at": "2022-09-04T14:38:06.983406Z",
"updated_at": "2022-09-04T14:38:06.983418Z",
"structure_string": "Rb8 Te4\n1.0\n6.068502 0.000000 0.000000\n0.000000 7.827032 0.000000\n0.000000 0.000000 10.513159\nRb Te\n8 4\ndirect\n0.250000 0.999694 0.248714 Rb\n0.750000 0.000305 0.751286 Rb\n0.250000 0.499694 0.251286 Rb\n0.750000 0.500305 0.748714 Rb\n0.250000 0.751635 0.583305 Rb\n0.750000 0.248365 0.416695 Rb\n0.250000 0.251635 0.916695 Rb\n0.750000 0.748365 0.083305 Rb\n0.250000 0.750400 0.916624 Te\n0.750000 0.249600 0.083376 Te\n0.250000 0.250400 0.583376 Te\n0.750000 0.749600 0.416624 Te\n",
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],
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"density": 3.970940456369725,
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{
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"created_at": "2022-09-04T14:38:51.108206Z",
"updated_at": "2022-09-04T14:38:51.108233Z",
"structure_string": "Sr1 In1 I1\n1.0\n6.075176 -0.000000 0.000000\n-3.037588 5.261257 -0.000000\n0.000000 -0.000000 3.905133\nSr In I\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666666 0.000000 In\n0.000000 0.000000 0.000000 I\n",
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}