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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=539",
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{
"id": "jvasp-39633",
"created_at": "2022-09-04T14:37:46.722230Z",
"updated_at": "2022-09-04T14:37:46.722252Z",
"structure_string": "Tl3 Si1\n1.0\n0.000000 3.806798 3.806798\n3.806793 0.000004 3.806793\n3.806797 3.806797 0.000001\nTl Si\n3 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n0.250001 0.250001 0.250001 Tl\n0.750000 0.750000 0.750000 Si\n",
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{
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"density_atomic": 0.03215678466012752,
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"volume_molar": 18.727434423713053,
"formula_full": "Tl12 Sb4 Se12",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-10242",
"created_at": "2022-09-04T14:37:32.519502Z",
"updated_at": "2022-09-04T14:37:32.519527Z",
"structure_string": "Tl6 Sb2 S8\n1.0\n6.330501 0.114263 -0.015890\n-1.662343 6.177237 -0.015775\n-1.823724 -1.631005 11.591397\nTl Sb S\n6 2 8\ndirect\n0.496955 0.523416 0.494609 Tl\n0.216198 0.682202 0.201396 Tl\n0.040228 0.969432 0.484170 Tl\n0.977854 -0.006635 -0.000200 Tl\n0.321025 0.810678 0.777387 Tl\n0.559375 0.499553 0.978977 Tl\n0.832026 0.275807 0.732044 Sb\n0.705185 0.217080 0.246731 Sb\n0.078977 0.196558 0.262771 S\n0.545545 0.040007 0.392852 S\n0.832603 0.903053 0.715296 S\n0.458249 0.296320 0.716002 S\n-0.008331 0.452884 0.585924 S\n0.505827 0.045128 0.057346 S\n0.704611 0.589846 0.263475 S\n0.031379 0.447763 0.921420 S\n",
"nsites": 16,
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"density": 6.298932397818693,
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"volume": 455.10167423278693,
"volume_molar": 17.129289639634425,
"formula_full": "Tl6 Sb2 S8",
"formula_reduced": "Tl3SbS4",
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"spacegroup": 2
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{
"id": "jvasp-2802",
"created_at": "2022-09-04T14:36:48.850632Z",
"updated_at": "2022-09-04T14:36:48.850659Z",
"structure_string": "Tl3 Sb1 S3\n1.0\n5.900258 0.011398 -1.518571\n-1.961577 5.564655 -1.518571\n0.008051 0.011398 6.092539\nTl Sb S\n3 1 3\ndirect\n0.556915 0.556915 0.172234 Tl\n0.556915 0.172234 0.556915 Tl\n0.172233 0.556915 0.556915 Tl\n0.997609 0.997610 0.997609 Sb\n0.577960 0.968936 0.968935 S\n0.968935 0.968936 0.577961 S\n0.968935 0.577962 0.968935 S\n",
"nsites": 7,
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"density": 6.887465291507468,
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"volume": 200.3759142850978,
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"formula_full": "Tl3 Sb1 S3",
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"formula_anonymous": "AB3C3",
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"spacegroup": 160
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{
"id": "jvasp-100244",
"created_at": "2022-09-04T14:36:36.238458Z",
"updated_at": "2022-09-04T14:36:36.238479Z",
"structure_string": "Tl3 Sb1\n1.0\n4.965967 0.000000 0.000000\n0.000000 4.965967 0.000000\n-0.000000 -0.000000 4.965967\nTl Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"density": 9.964871611148105,
"density_atomic": 0.032662430873988776,
"volume": 122.46485925777989,
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"formula_full": "Tl3 Sb1",
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"formula_anonymous": "AB3",
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},
{
"id": "jvasp-100247",
"created_at": "2022-09-04T14:36:37.147592Z",
"updated_at": "2022-09-04T14:36:37.147612Z",
"structure_string": "Tl3 S1\n1.0\n4.307460 -0.031514 -4.247518\n-0.775598 4.237176 -4.247518\n0.026465 0.031514 6.049374\nTl S\n3 1\ndirect\n0.749999 0.250000 0.499999 Tl\n0.249999 0.750001 0.499999 Tl\n0.500000 0.500001 0.000000 Tl\n0.000000 0.000000 0.000000 S\n",
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"elements": [
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"volume": 111.42232980165997,
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"formula_full": "Tl3 S1",
"formula_reduced": "Tl3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.23912,
"spacegroup": 139
},
{
"id": "jvasp-101617",
"created_at": "2022-09-04T14:36:41.402994Z",
"updated_at": "2022-09-04T14:36:41.403015Z",
"structure_string": "Tl6 S2\n1.0\n6.835666 -0.000000 0.000000\n-3.417833 5.919860 0.000000\n0.000000 0.000000 5.556977\nTl S\n6 2\ndirect\n0.172425 0.344850 0.250000 Tl\n0.655151 0.827575 0.250000 Tl\n0.172425 0.827575 0.250000 Tl\n0.827576 0.655150 0.750000 Tl\n0.344850 0.172425 0.750000 Tl\n0.827576 0.172425 0.750000 Tl\n0.333334 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 8,
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"density": 9.529115949098188,
"density_atomic": 0.035576163900530845,
"volume": 224.86966336133358,
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"formula_full": "Tl6 S2",
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"spacegroup": 194
},
{
"id": "jvasp-37512",
"created_at": "2022-09-04T14:37:28.021194Z",
"updated_at": "2022-09-04T14:37:28.021219Z",
"structure_string": "Tl6 Ru2\n1.0\n3.166928 -5.485280 -0.000000\n3.166928 5.485280 -0.000000\n0.000000 0.000000 5.354923\nTl Ru\n6 2\ndirect\n0.171972 0.828029 0.750000 Tl\n0.656057 0.828029 0.750000 Tl\n0.171972 0.343943 0.750000 Tl\n0.828029 0.171972 0.250000 Tl\n0.343943 0.171972 0.250000 Tl\n0.828029 0.656057 0.250000 Tl\n0.333333 0.666667 0.250000 Ru\n0.666667 0.333333 0.750000 Ru\n",
"nsites": 8,
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"elements": [
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],
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"density": 12.749431576627611,
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"volume": 186.04594863151618,
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"formula_full": "Tl6 Ru2",
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{
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"created_at": "2022-09-04T14:36:19.815288Z",
"updated_at": "2022-09-04T14:36:19.815325Z",
"structure_string": "Tl6 Pt2\n1.0\n5.863660 -0.000000 0.000000\n0.000000 5.863660 0.000000\n0.000000 0.000000 5.863660\nTl Pt\n6 2\ndirect\n0.000000 0.500000 0.750000 Tl\n0.500000 0.250000 0.000000 Tl\n0.750000 0.000000 0.500000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.750000 0.000000 Tl\n0.250000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 201.6073403516759,
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"spacegroup": 223
},
{
"id": "jvasp-22796",
"created_at": "2022-09-04T14:37:47.861525Z",
"updated_at": "2022-09-04T14:37:47.861545Z",
"structure_string": "Tl12 P4 S16\n1.0\n8.865865 -0.000000 0.000000\n0.000000 9.083428 0.000000\n0.000000 0.000000 10.867916\nTl P S\n12 4 16\ndirect\n0.381179 0.607789 0.750000 Tl\n0.881179 0.892211 0.750000 Tl\n0.118820 0.107789 0.250000 Tl\n0.618820 0.392211 0.250000 Tl\n0.441674 0.802946 0.451561 Tl\n0.941674 0.697054 0.048439 Tl\n0.058325 0.302946 0.548439 Tl\n0.558325 0.197054 0.951562 Tl\n0.558325 0.197054 0.548439 Tl\n0.058325 0.302946 0.951562 Tl\n0.941674 0.697054 0.451561 Tl\n0.441674 0.802946 0.048439 Tl\n0.222766 0.526352 0.250000 P\n0.722765 0.973649 0.250000 P\n0.277234 0.026352 0.750000 P\n0.777234 0.473648 0.750000 P\n0.660678 0.534657 0.594121 S\n0.160678 0.965343 0.905880 S\n0.160678 0.965343 0.594121 S\n0.660678 0.534657 0.905880 S\n0.339321 0.465343 0.405879 S\n0.839321 0.034657 0.094121 S\n0.509299 0.064300 0.250000 S\n0.009299 0.435700 0.250000 S\n0.490700 0.935700 0.750000 S\n0.698709 0.745319 0.250000 S\n0.198709 0.754682 0.250000 S\n0.801290 0.245319 0.750000 S\n0.301291 0.254681 0.750000 S\n0.339321 0.465343 0.094121 S\n0.990700 0.564300 0.750000 S\n0.839321 0.034657 0.405879 S\n",
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"formula_full": "Tl12 P4 S16",
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"spacegroup": 62
},
{
"id": "jvasp-9734",
"created_at": "2022-09-04T14:37:06.337955Z",
"updated_at": "2022-09-04T14:37:06.337972Z",
"structure_string": "Tl6 P2 O8\n1.0\n4.202662 -7.279222 -0.000000\n4.202661 7.279223 -0.000000\n-0.000000 -0.000000 5.186964\nTl P O\n6 2 8\ndirect\n0.647045 0.910416 -0.003004 Tl\n0.263371 0.352955 -0.003004 Tl\n0.910416 0.263371 0.496995 Tl\n0.352955 0.089584 0.496995 Tl\n0.736629 0.647044 0.496995 Tl\n0.089584 0.736629 -0.003004 Tl\n0.666667 0.333333 0.014963 P\n0.333333 0.666667 0.514963 P\n0.473026 0.863977 0.421342 O\n0.863977 0.390951 0.921342 O\n0.609049 0.473026 0.921342 O\n0.390951 0.526974 0.421342 O\n0.666667 0.333333 0.319421 O\n0.526974 0.136023 0.921342 O\n0.333333 0.666667 0.819421 O\n0.136023 0.609049 0.421342 O\n",
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"volume": 317.3603273234089,
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"formula_full": "Tl6 P2 O8",
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{
"id": "jvasp-37778",
"created_at": "2022-09-04T14:38:33.053935Z",
"updated_at": "2022-09-04T14:38:33.053959Z",
"structure_string": "Tl6 Pb2\n1.0\n3.546360 -6.142475 0.000000\n3.546360 6.142475 -0.000000\n-0.000000 0.000000 5.657000\nTl Pb\n6 2\ndirect\n0.831865 0.168135 0.750000 Tl\n0.336271 0.168135 0.750000 Tl\n0.831865 0.663729 0.750000 Tl\n0.168135 0.831865 0.250000 Tl\n0.663729 0.831865 0.250000 Tl\n0.168135 0.336271 0.250000 Tl\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
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"volume": 246.457700330274,
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"formula_full": "Tl6 Pb2",
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"spacegroup": 194
}
]
}