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{
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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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"structure_string": "Tm2 Mo2 C3\n1.0\n-0.000000 3.355373 0.000000\n0.139848 0.000000 5.629032\n5.289983 -1.677686 -1.931437\nTm Mo C\n2 2 3\ndirect\n0.614911 0.819158 0.229823 Tm\n0.385087 0.180841 0.770176 Tm\n0.851537 0.631466 0.703078 Mo\n0.148461 0.368533 0.296923 Mo\n0.000000 0.500000 0.000000 C\n0.269800 0.745750 0.539601 C\n0.730198 0.254249 0.460399 C\n",
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"formula_full": "Tm2 Mo2 C3",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 12
},
{
"id": "jvasp-104901",
"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,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"C"
],
"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",
"formula_reduced": "TmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.936043466551725,
"spacegroup": 63
},
{
"id": "jvasp-41572",
"created_at": "2022-09-04T14:37:38.027644Z",
"updated_at": "2022-09-04T14:37:38.027670Z",
"structure_string": "Tm2 Mn1 Os1\n1.0\n-0.000000 3.398856 3.398856\n3.398856 -0.000000 3.398856\n3.398856 3.398856 -0.000000\nTm Mn Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250001 0.250001 0.250001 Mn\n0.750002 0.750002 0.750002 Os\n",
"nsites": 4,
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"elements": [
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"Mn",
"Os"
],
"chemical_system": "Mn-Os-Tm",
"density": 12.328678407665684,
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"volume": 78.52867885522,
"volume_molar": 11.822768944074262,
"formula_full": "Tm2 Mn1 Os1",
"formula_reduced": "Tm2MnOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.190687685344828,
"spacegroup": 225
},
{
"id": "jvasp-33857",
"created_at": "2022-09-04T14:38:07.701437Z",
"updated_at": "2022-09-04T14:38:07.701472Z",
"structure_string": "Tm2 Mg6\n1.0\n6.598648 0.000000 0.000000\n-3.299325 5.714598 -0.000000\n0.000000 -0.000000 5.155757\nTm Mg\n2 6\ndirect\n0.666668 0.333332 0.250000 Tm\n0.333334 0.666667 0.750001 Tm\n0.164604 0.329206 0.250000 Mg\n0.164604 0.835398 0.250000 Mg\n0.670796 0.835398 0.250000 Mg\n0.329206 0.164603 0.750001 Mg\n0.835396 0.164603 0.750001 Mg\n0.835399 0.670796 0.750001 Mg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-Tm",
"density": 4.131337541078054,
"density_atomic": 0.04114877399523802,
"volume": 194.4164849462054,
"volume_molar": 14.635042980130875,
"formula_full": "Tm2 Mg6",
"formula_reduced": "TmMg3",
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"spacegroup": 194
},
{
"id": "jvasp-107703",
"created_at": "2022-09-04T14:37:01.076092Z",
"updated_at": "2022-09-04T14:37:01.076125Z",
"structure_string": "Tm2 Mg4\n1.0\n5.143231 -0.000000 2.969446\n1.714410 4.849084 2.969446\n-0.000000 -0.000000 5.938891\nTm Mg\n2 4\ndirect\n0.750000 0.749999 0.750001 Tm\n0.500000 0.500000 0.500001 Tm\n0.125000 0.624999 0.125001 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125001 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 148.115698938702,
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"formula_full": "Tm2 Mg4",
"formula_reduced": "TmMg2",
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"spacegroup": 227
},
{
"id": "jvasp-76202",
"created_at": "2022-09-04T14:35:56.983513Z",
"updated_at": "2022-09-04T14:35:56.983532Z",
"structure_string": "Tm2 Mg2 Sn2\n1.0\n4.340462 -0.000000 -0.000000\n-0.000000 4.340462 -0.000000\n-2.170230 -2.170230 7.856821\nTm Mg Sn\n2 2 2\ndirect\n0.667094 0.667094 0.334188 Tm\n0.332906 0.332906 0.665812 Tm\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.862195 0.862195 0.724392 Sn\n0.137804 0.137804 0.275608 Sn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Sn-Tm",
"density": 6.999132378208775,
"density_atomic": 0.04053521442866887,
"volume": 148.01944641389264,
"volume_molar": 14.856565692028978,
"formula_full": "Tm2 Mg2 Sn2",
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"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-78977",
"created_at": "2022-09-04T14:37:11.481229Z",
"updated_at": "2022-09-04T14:37:11.481256Z",
"structure_string": "Tm2 Mg1 Tl1\n1.0\n-0.000000 3.707411 3.707411\n3.707411 -0.000000 3.707411\n3.707411 3.707411 0.000000\nTm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.23103280684431,
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"volume": 101.91595964291375,
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"formula_full": "Tm2 Mg1 Tl1",
"formula_reduced": "Tm2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2534825375,
"spacegroup": 225
},
{
"id": "jvasp-41570",
"created_at": "2022-09-04T14:37:41.257505Z",
"updated_at": "2022-09-04T14:37:41.257529Z",
"structure_string": "Tm2 Mg1 Tc1\n1.0\n0.000000 3.497231 3.497231\n3.497231 0.000000 3.497231\n3.497231 3.497231 0.000000\nTm Mg Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Tc\n",
"nsites": 4,
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"elements": [
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"formula_full": "Tm2 Mg1 Tc1",
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},
{
"id": "jvasp-41507",
"created_at": "2022-09-04T14:37:51.246583Z",
"updated_at": "2022-09-04T14:37:51.246608Z",
"structure_string": "Tm2 Mg1 Ru1\n1.0\n0.000000 3.483212 3.483212\n3.483212 -0.000000 3.483212\n3.483212 3.483212 0.000000\nTm Mg Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Mg\n0.749998 0.749998 0.749998 Ru\n",
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{
"id": "jvasp-41505",
"created_at": "2022-09-04T14:37:50.996411Z",
"updated_at": "2022-09-04T14:37:50.996444Z",
"structure_string": "Tm2 Mg1 Os1\n1.0\n-0.000000 3.472470 3.472470\n3.472470 -0.000000 3.472470\n3.472470 3.472470 -0.000000\nTm Mg Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.250001 0.250001 0.250001 Mg\n0.750000 0.750000 0.750000 Os\n",
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{
"id": "jvasp-41504",
"created_at": "2022-09-04T14:37:43.100080Z",
"updated_at": "2022-09-04T14:37:43.100104Z",
"structure_string": "Tm2 Mg1 Ir1\n1.0\n-0.000000 3.483952 3.483952\n3.483952 -0.000000 3.483952\n3.483952 3.483952 -0.000000\nTm Mg Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.749999 0.749999 0.749999 Mg\n0.250000 0.250000 0.250000 Ir\n",
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}