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{
"id": "jvasp-117267",
"created_at": "2022-09-04T14:38:46.707863Z",
"updated_at": "2022-09-04T14:38:46.707899Z",
"structure_string": "Tm2 Mo2 Cl2 O8\n1.0\n6.017389 0.016401 1.525114\n1.749903 5.757350 1.525114\n0.006014 0.004470 6.786866\nTm Mo Cl O\n2 2 2 8\ndirect\n0.778221 0.778221 0.108790 Tm\n0.221778 0.221779 0.891210 Tm\n0.362585 0.362585 0.269764 Mo\n0.637414 0.637415 0.730236 Mo\n0.991120 0.991121 0.762584 Cl\n0.008879 0.008879 0.237416 Cl\n0.705006 0.705007 0.461232 O\n0.294993 0.294993 0.538767 O\n0.509009 0.893521 0.845490 O\n0.455652 0.455652 0.801317 O\n0.106479 0.490991 0.154509 O\n0.893520 0.509009 0.845490 O\n0.544348 0.544348 0.198683 O\n0.490991 0.106479 0.154509 O\n",
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{
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{
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"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"chemical_system": "C-Mn-Si-Tm",
"density": 7.95208543457558,
"density_atomic": 0.07508247376442498,
"volume": 133.18687436132566,
"volume_molar": 8.020701047883383,
"formula_full": "Tm2 Mn4 Si2 C2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-21126",
"created_at": "2022-09-04T14:37:40.140592Z",
"updated_at": "2022-09-04T14:37:40.140615Z",
"structure_string": "Tm1 Mn6 Ga2 Sn4\n1.0\n2.674262 -4.631957 0.000000\n2.674262 4.631957 0.000000\n-0.000000 0.000000 8.738650\nTm Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 -0.000000 0.234960 Mn\n-0.000000 0.500000 0.765040 Mn\n0.500000 0.500000 0.765040 Mn\n0.500000 0.500000 0.234960 Mn\n-0.000000 0.500000 0.234960 Mn\n0.500000 -0.000000 0.765040 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.330850 Sn\n0.000000 0.000000 0.669149 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Ga-Mn-Sn-Tm",
"density": 8.535762468108954,
"density_atomic": 0.06004827541574523,
"volume": 216.49247892623535,
"volume_molar": 10.028832165962482,
"formula_full": "Tm1 Mn6 Ga2 Sn4",
"formula_reduced": "TmMn6(GaSn2)2",
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{
"id": "jvasp-56510",
"created_at": "2022-09-04T14:37:05.653620Z",
"updated_at": "2022-09-04T14:37:05.653642Z",
"structure_string": "Tm3 Mn3 Ga2 Si1\n1.0\n3.480118 -6.027741 -0.000000\n3.480118 6.027741 0.000000\n-0.000000 0.000000 3.877172\nTm Mn Ga Si\n3 3 2 1\ndirect\n0.407907 0.407907 0.500000 Tm\n0.000000 0.592093 0.500000 Tm\n0.592093 0.000000 0.500000 Tm\n0.220753 0.000000 0.000000 Mn\n0.000000 0.220753 0.000000 Mn\n0.779247 0.779247 0.000000 Mn\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
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"volume_molar": 10.88433773830577,
"formula_full": "Tm3 Mn3 Ga2 Si1",
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"formula_anonymous": "AB2C3D3",
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{
"id": "jvasp-21907",
"created_at": "2022-09-04T14:37:49.718736Z",
"updated_at": "2022-09-04T14:37:49.718744Z",
"structure_string": "Tm4 In1 Ni2 Ge4\n1.0\n4.029514 0.000000 -1.102865\n-0.586228 6.615108 -2.141885\n0.008949 -0.001418 7.945398\nTm In Ni Ge\n4 1 2 4\ndirect\n0.344235 0.063084 0.688469 Tm\n0.655764 0.936916 0.311530 Tm\n0.408219 0.609125 0.816438 Tm\n0.591780 0.390875 0.183561 Tm\n0.000000 0.000000 0.000000 In\n0.218001 0.637613 0.436003 Ni\n0.781997 0.362387 0.563996 Ni\n0.066231 0.662868 0.132463 Ge\n0.933768 0.337132 0.867536 Ge\n0.201552 0.262323 0.403105 Ge\n0.798447 0.737677 0.596894 Ge\n",
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"chemical_system": "Ge-In-Ni-Tm",
"density": 9.39454119955091,
"density_atomic": 0.05192548126071202,
"volume": 211.8420423446869,
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"formula_full": "Tm4 In1 Ni2 Ge4",
"formula_reduced": "Tm4In(NiGe2)2",
"formula_anonymous": "AB2C4D4",
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"spacegroup": 12
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{
"id": "jvasp-51708",
"created_at": "2022-09-04T14:38:19.175073Z",
"updated_at": "2022-09-04T14:38:19.175090Z",
"structure_string": "Tm1 H3 C3 O6\n1.0\n5.160391 2.979353 1.301921\n-5.160391 2.979353 1.301921\n0.000000 -5.958707 1.301921\nTm H C O\n1 3 3 6\ndirect\n0.001772 0.001772 0.001772 Tm\n0.839069 0.355062 0.355063 H\n0.355062 0.355062 0.839070 H\n0.355062 0.839069 0.355063 H\n0.144976 0.607164 0.607165 C\n0.607164 0.607164 0.144977 C\n0.607164 0.144976 0.607165 C\n0.278657 0.888571 0.888572 O\n0.888571 0.888571 0.278658 O\n0.888571 0.278657 0.888572 O\n0.341600 0.592662 0.592663 O\n0.592663 0.592663 0.341601 O\n0.592662 0.341600 0.592663 O\n",
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"elements": [
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"chemical_system": "C-H-O-Tm",
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"volume": 120.09930735558959,
"volume_molar": 5.563499492875875,
"formula_full": "Tm1 H3 C3 O6",
"formula_reduced": "TmH3(CO2)3",
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{
"id": "jvasp-8197",
"created_at": "2022-09-04T14:37:58.695629Z",
"updated_at": "2022-09-04T14:37:58.695640Z",
"structure_string": "Tm2 Fe2 Si2 C1\n1.0\n3.643209 0.000000 1.340605\n1.461039 5.140602 1.650172\n0.009471 -0.017801 5.594930\nTm Fe Si C\n2 2 2 1\ndirect\n0.559511 0.173076 0.707903 Tm\n0.440490 0.826924 0.292097 Tm\n0.201917 0.693267 0.902899 Fe\n0.798084 0.306732 0.097101 Fe\n0.159403 0.391632 0.289563 Si\n0.840597 0.608368 0.710438 Si\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-99438",
"created_at": "2022-09-04T14:36:30.965237Z",
"updated_at": "2022-09-04T14:36:30.965256Z",
"structure_string": "Tm2 Fe4 Si2 C2\n1.0\n5.534440 -0.004007 0.000000\n-4.305105 3.477947 0.000000\n0.000000 -0.000000 6.704080\nTm Fe Si C\n2 4 2 2\ndirect\n0.549117 0.450883 0.250000 Tm\n0.450884 0.549117 0.750000 Tm\n0.835093 0.164906 0.061122 Fe\n0.164907 0.835094 0.938878 Fe\n0.164907 0.835094 0.561122 Fe\n0.835093 0.164906 0.438878 Fe\n0.269550 0.730451 0.250000 Si\n0.730451 0.269548 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:38:41.150175Z",
"updated_at": "2022-09-04T14:38:41.150197Z",
"structure_string": "Tm1 Fe4 Cu3 O12\n1.0\n5.855166 -0.000000 -2.070114\n-2.927583 5.070723 -2.070114\n-0.000000 -0.000000 6.210342\nTm Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.298602 0.823789 0.122391 O\n0.701399 0.176211 0.877610 O\n0.474812 0.298601 0.176211 O\n0.525188 0.701398 0.823790 O\n0.122391 0.298601 0.823789 O\n0.823790 0.122391 0.298602 O\n0.176211 0.474812 0.298602 O\n0.823790 0.525188 0.701399 O\n0.701399 0.823789 0.525189 O\n0.176211 0.877609 0.701399 O\n0.877610 0.701398 0.176212 O\n0.298602 0.176211 0.474812 O\n",
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{
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"created_at": "2022-09-04T14:37:39.177766Z",
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"structure_string": "Tm2 Cu2 Pb2 Se6\n1.0\n-4.034908 -0.000439 0.000063\n2.018023 6.779784 0.041854\n-0.000154 -0.153614 -10.453073\nTm Cu Pb Se\n2 2 2 6\ndirect\n0.500691 0.501527 0.497257 Tm\n0.500675 0.501499 0.997259 Tm\n0.968197 0.437887 0.247664 Cu\n0.033571 0.565016 0.746987 Cu\n0.744945 0.987775 0.754079 Pb\n0.256654 0.015313 0.240489 Pb\n0.860660 0.221683 0.432870 Se\n0.861172 0.222682 0.054110 Se\n0.140180 0.780326 0.940432 Se\n0.140662 0.781259 0.561719 Se\n0.579671 0.660165 0.249215 Se\n0.421873 0.342809 0.745285 Se\n",
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{
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"structure_string": "Tm1 Co2 B2 C1\n1.0\n3.486647 0.000000 -0.000000\n0.000000 3.486647 -0.000000\n-1.743324 -1.743324 5.203122\nTm Co B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750001 0.250001 0.500000 Co\n0.250001 0.750001 0.500000 Co\n0.643722 0.643722 0.287442 B\n0.356280 0.356280 0.712558 B\n0.500000 0.500000 0.000000 C\n",
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}
]
}