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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=482",
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"results": [
{
"id": "jvasp-39812",
"created_at": "2022-09-04T14:37:51.899254Z",
"updated_at": "2022-09-04T14:37:51.899294Z",
"structure_string": "Tm1 Cd1 Au2\n1.0\n-0.000001 3.447773 3.447768\n3.447767 -0.000002 3.447769\n3.447768 3.447775 -0.000002\nTm Cd Au\n1 1 2\ndirect\n0.749998 0.750001 0.749999 Tm\n0.250001 0.250002 0.250001 Cd\n0.500000 0.500001 0.499999 Au\n-0.000000 0.000000 0.000001 Au\n",
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"elements": [
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{
"id": "jvasp-80032",
"created_at": "2022-09-04T14:37:17.056147Z",
"updated_at": "2022-09-04T14:37:17.056178Z",
"structure_string": "Tm1 Cd1 Ag2\n1.0\n-0.000107 3.447781 3.447781\n3.447781 -0.000107 3.447781\n3.447781 3.447781 -0.000107\nTm Cd Ag\n1 1 2\ndirect\n0.750003 0.750003 0.750003 Tm\n0.249997 0.249997 0.249997 Cd\n0.500004 0.500004 0.500004 Ag\n-0.000006 -0.000006 -0.000006 Ag\n",
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"density": 10.06949209629746,
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"volume": 81.97269780835643,
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{
"id": "jvasp-18658",
"created_at": "2022-09-04T14:35:53.916644Z",
"updated_at": "2022-09-04T14:35:53.916663Z",
"structure_string": "Tm2 Cd6\n1.0\n4.820707 0.000000 -0.000000\n0.000000 5.931772 -2.488562\n0.000000 -0.036634 6.432535\nTm Cd\n2 6\ndirect\n0.750000 0.366635 0.633366 Tm\n0.250000 0.633365 0.366635 Tm\n0.750000 0.822610 0.177390 Cd\n0.250000 0.177390 0.822611 Cd\n0.750000 0.313454 0.122946 Cd\n0.250000 0.686546 0.877056 Cd\n0.250000 0.122946 0.313455 Cd\n0.750000 0.877055 0.686546 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Cd-Tm",
"density": 9.16082628642113,
"density_atomic": 0.04359649088592754,
"volume": 183.50100747632214,
"volume_molar": 13.813361207802807,
"formula_full": "Tm2 Cd6",
"formula_reduced": "TmCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-36220",
"created_at": "2022-09-04T14:36:38.528266Z",
"updated_at": "2022-09-04T14:36:38.528284Z",
"structure_string": "Tm1 Cd2\n1.0\n2.458593 -4.258409 0.000000\n2.458593 4.258409 -0.000000\n-0.000000 -0.000000 3.358463\nTm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666666 0.333332 0.499929 Cd\n0.333332 0.666666 0.500070 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Cd"
],
"chemical_system": "Cd-Tm",
"density": 9.297623121577875,
"density_atomic": 0.04265959019992756,
"volume": 70.3241635922957,
"volume_molar": 14.116733732735735,
"formula_full": "Tm1 Cd2",
"formula_reduced": "TmCd2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-16481",
"created_at": "2022-09-04T14:37:46.692463Z",
"updated_at": "2022-09-04T14:37:46.692479Z",
"structure_string": "Tm1 Cd2\n1.0\n2.458052 -4.257471 -0.000000\n2.458052 4.257471 0.000000\n-0.000000 -0.000000 3.360360\nTm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.499991 Cd\n0.666667 0.333333 0.500009 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
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"chemical_system": "Cd-Tm",
"density": 9.296467320700511,
"density_atomic": 0.04265428712503021,
"volume": 70.33290677690292,
"volume_molar": 14.11848882234891,
"formula_full": "Tm1 Cd2",
"formula_reduced": "TmCd2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-14581",
"created_at": "2022-09-04T14:36:06.471812Z",
"updated_at": "2022-09-04T14:36:06.471835Z",
"structure_string": "Tm1 Cd1\n1.0\n3.667742 0.000000 0.000000\n0.000000 3.667742 -0.000000\n0.000000 0.000000 3.667742\nTm Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"Cd"
],
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"density": 9.46874209312669,
"density_atomic": 0.04053532507246281,
"volume": 49.339680795077086,
"volume_molar": 14.856525140071147,
"formula_full": "Tm1 Cd1",
"formula_reduced": "TmCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.4192364166666666,
"spacegroup": 221
},
{
"id": "jvasp-14632",
"created_at": "2022-09-04T14:36:13.030706Z",
"updated_at": "2022-09-04T14:36:13.030733Z",
"structure_string": "Tm1 C2\n1.0\n3.202203 0.000000 -1.632977\n-0.832744 3.092029 -1.632977\n0.007411 0.009671 3.970718\nTm C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.606350 0.606350 0.212699 C\n0.393650 0.393650 0.787301 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"C"
],
"chemical_system": "C-Tm",
"density": 8.128852097970247,
"density_atomic": 0.07611039383843042,
"volume": 39.416429855408396,
"volume_molar": 7.9123762948645275,
"formula_full": "Tm1 C2",
"formula_reduced": "TmC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.851028083333333,
"spacegroup": 139
},
{
"id": "jvasp-30194",
"created_at": "2022-09-04T14:38:13.034590Z",
"updated_at": "2022-09-04T14:38:13.034604Z",
"structure_string": "Tm2 Br2 O2\n1.0\n3.776839 0.000000 0.000000\n0.000000 3.776839 0.000000\n0.000000 0.000000 8.322123\nTm Br O\n2 2 2\ndirect\n0.000000 0.500000 0.134026 Tm\n0.500000 0.000000 0.865974 Tm\n0.000000 0.500000 0.669065 Br\n0.500000 0.000000 0.330934 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Tm",
"density": 7.409137912726392,
"density_atomic": 0.05054290223670678,
"volume": 118.71103032232487,
"volume_molar": 11.914908906094476,
"formula_full": "Tm2 Br2 O2",
"formula_reduced": "TmBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0400506183333333,
"spacegroup": 129
},
{
"id": "jvasp-30189",
"created_at": "2022-09-04T14:38:13.180021Z",
"updated_at": "2022-09-04T14:38:13.180043Z",
"structure_string": "Tm2 Br2 O2\n1.0\n4.104770 0.000000 0.000000\n0.000000 3.765780 0.000000\n0.000000 0.000000 8.919378\nTm Br O\n2 2 2\ndirect\n0.250000 0.250000 0.114441 Tm\n0.750000 0.750000 0.885559 Tm\n0.250000 0.750000 0.344196 Br\n0.750000 0.250000 0.655804 Br\n0.250000 0.750000 0.973451 O\n0.750000 0.250000 0.026549 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Br",
"O"
],
"chemical_system": "Br-O-Tm",
"density": 6.37940848045761,
"density_atomic": 0.04351839889522841,
"volume": 137.8727194087527,
"volume_molar": 13.838148720724877,
"formula_full": "Tm2 Br2 O2",
"formula_reduced": "TmBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0566239516666668,
"spacegroup": 59
},
{
"id": "jvasp-15576",
"created_at": "2022-09-04T14:37:11.356700Z",
"updated_at": "2022-09-04T14:37:11.356718Z",
"structure_string": "Tm1 B1 Rh3\n1.0\n4.174906 -0.000000 -0.000000\n-0.000000 4.174906 -0.000000\n0.000000 0.000000 4.174906\nTm B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 B\n0.000000 0.500001 0.500001 Rh\n0.500001 0.500001 0.000000 Rh\n0.500001 0.000000 0.500001 Rh\n",
"nsites": 5,
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"elements": [
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"B",
"Rh"
],
"chemical_system": "B-Rh-Tm",
"density": 11.146525610815358,
"density_atomic": 0.06871157437956842,
"volume": 72.76794404942007,
"volume_molar": 8.764376037628242,
"formula_full": "Tm1 B1 Rh3",
"formula_reduced": "TmBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.9254311666666672,
"spacegroup": 221
},
{
"id": "jvasp-33822",
"created_at": "2022-09-04T14:37:59.636326Z",
"updated_at": "2022-09-04T14:37:59.636351Z",
"structure_string": "Tm2 Br6\n1.0\n9.574450 0.000000 -0.000000\n-4.787227 8.291716 0.000000\n0.000000 -0.000000 3.680794\nTm Br\n2 6\ndirect\n0.333334 0.666668 0.750000 Tm\n0.666667 0.333334 0.250000 Tm\n0.207684 0.415369 0.250000 Br\n0.584631 0.792316 0.250000 Br\n0.207684 0.792316 0.250000 Br\n0.792316 0.584630 0.750000 Br\n0.415369 0.207684 0.750000 Br\n0.792315 0.207684 0.750000 Br\n",
"nsites": 8,
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"volume": 292.2131571072994,
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"formula_full": "Tm2 Br6",
"formula_reduced": "TmBr3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Br-Tm",
"density": 6.8620356017213,
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"volume": 636.4167302291327,
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"formula_full": "Tm8 Br16",
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}