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{
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{
"id": "jvasp-110931",
"created_at": "2022-09-04T14:38:37.499850Z",
"updated_at": "2022-09-04T14:38:37.499869Z",
"structure_string": "Ti4 Sb2\n1.0\n3.805917 0.002118 -6.902705\n-0.250340 3.797676 -6.902705\n-0.001982 -0.002118 7.882407\nTi Sb\n4 2\ndirect\n0.170278 0.170279 0.000001 Ti\n0.829722 0.829723 0.000003 Ti\n0.500001 0.000000 0.500001 Ti\n0.000000 0.500000 0.500001 Ti\n0.359221 0.359221 0.000001 Sb\n0.640780 0.640780 0.000002 Sb\n",
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{
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"structure_string": "Ti2 Sb2\n1.0\n2.024891 -3.507213 0.000000\n2.024891 3.507213 -0.000000\n0.000000 0.000000 6.251538\nTi Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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{
"id": "jvasp-20425",
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"structure_string": "Ti2 Sb2\n1.0\n2.024891 -3.507213 0.000000\n2.024891 3.507213 -0.000000\n0.000000 0.000000 6.251538\nTi Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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"spacegroup": 194
},
{
"id": "jvasp-14786",
"created_at": "2022-09-04T14:38:32.658960Z",
"updated_at": "2022-09-04T14:38:32.658982Z",
"structure_string": "Ti2 Sb4\n1.0\n5.369656 -0.018149 -1.533102\n-3.060471 4.412149 -1.533102\n0.009538 0.018149 5.584221\nTi Sb\n2 4\ndirect\n0.750001 0.750000 0.000001 Ti\n0.250000 0.250000 0.000000 Ti\n0.847068 0.652934 0.500001 Sb\n0.347067 0.847067 0.194133 Sb\n0.152934 0.347067 0.500000 Sb\n0.652934 0.152934 0.805868 Sb\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.3151894481637765,
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"volume": 132.2889859320951,
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"formula_full": "Ti2 Sb4",
"formula_reduced": "TiSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.962006844444445,
"spacegroup": 140
},
{
"id": "jvasp-23549",
"created_at": "2022-09-04T14:37:34.817110Z",
"updated_at": "2022-09-04T14:37:34.817136Z",
"structure_string": "U6 Ti2 Sb10\n1.0\n4.524283 -7.836288 0.000000\n4.524283 7.836288 0.000000\n-0.000000 -0.000000 6.088509\nU Ti Sb\n6 2 10\ndirect\n-0.000000 0.612826 0.250000 U\n0.612825 0.612825 0.750000 U\n0.387174 -0.000000 0.750000 U\n0.612826 -0.000000 0.250000 U\n0.387174 0.387174 0.250000 U\n-0.000000 0.387174 0.750000 U\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.735717 0.735717 0.250000 Sb\n-0.000000 0.735718 0.750000 Sb\n0.666667 0.333333 0.000000 Sb\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n-0.000000 0.264282 0.250000 Sb\n0.333333 0.666667 0.000000 Sb\n0.264282 -0.000000 0.250000 Sb\n0.264282 0.264282 0.750000 Sb\n0.735718 -0.000000 0.750000 Sb\n",
"nsites": 18,
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"elements": [
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"Ti",
"Sb"
],
"chemical_system": "Sb-Ti-U",
"density": 10.544777729396083,
"density_atomic": 0.041693792955904085,
"volume": 431.7189376134966,
"volume_molar": 14.443734505922974,
"formula_full": "U6 Ti2 Sb10",
"formula_reduced": "U3TiSb5",
"formula_anonymous": "AB3C5",
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"spacegroup": 193
},
{
"id": "jvasp-54584",
"created_at": "2022-09-04T14:38:35.669655Z",
"updated_at": "2022-09-04T14:38:35.669865Z",
"structure_string": "Tl21 Sb6\n1.0\n9.706727 -0.000000 -3.431846\n-4.853363 8.406272 -3.431846\n0.000000 0.000000 10.295538\nTl Sb\n21 6\ndirect\n0.000000 0.349533 0.650467 Tl\n0.338849 0.338849 0.338849 Tl\n0.349533 0.699065 0.349532 Tl\n0.650468 0.300935 0.650467 Tl\n0.300935 0.650467 0.650467 Tl\n0.650468 0.349533 -0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.661151 -0.000000 Tl\n0.349533 0.650467 -0.000000 Tl\n0.650468 0.650467 0.300934 Tl\n0.000000 0.338849 -0.000000 Tl\n0.349533 -0.000000 0.650467 Tl\n0.661151 0.000000 -0.000000 Tl\n0.650468 -0.000000 0.349533 Tl\n0.338849 0.000000 -0.000000 Tl\n0.349533 0.349533 0.699065 Tl\n-0.000000 -0.000000 0.661151 Tl\n0.000000 0.650467 0.349532 Tl\n0.661151 0.661151 0.661151 Tl\n0.699066 0.349533 0.349532 Tl\n-0.000000 -0.000000 0.338849 Tl\n0.693148 -0.000000 0.693147 Sb\n0.000000 0.693147 0.693147 Sb\n0.000000 0.306852 0.306853 Sb\n0.306853 -0.000000 0.306853 Sb\n0.306853 0.306852 -0.000000 Sb\n0.693148 0.693147 -0.000000 Sb\n",
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"volume": 840.0890025924214,
"volume_molar": 18.737534164961357,
"formula_full": "Tl21 Sb6",
"formula_reduced": "Tl7Sb2",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"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",
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"volume": 122.46485925777989,
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"formula_full": "Tl3 Sb1",
"formula_reduced": "Tl3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0832916464285715,
"spacegroup": 221
},
{
"id": "jvasp-15708",
"created_at": "2022-09-04T14:36:21.679205Z",
"updated_at": "2022-09-04T14:36:21.679225Z",
"structure_string": "Tl1 Sb1\n1.0\n3.899037 -0.000000 0.000000\n-0.000000 3.899037 0.000000\n-0.000000 -0.000000 3.899037\nTl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"volume": 59.27506915932423,
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"formula_full": "Tl1 Sb1",
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"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-36031",
"created_at": "2022-09-04T14:37:18.877634Z",
"updated_at": "2022-09-04T14:37:18.877669Z",
"structure_string": "Tl1 Sb1\n1.0\n3.380030 3.380030 -0.000000\n3.380030 0.000000 -3.380030\n0.000000 3.380030 -3.380030\nTl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Sb\n",
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"spacegroup": 216
},
{
"id": "jvasp-98373",
"created_at": "2022-09-04T14:36:10.394986Z",
"updated_at": "2022-09-04T14:36:10.395015Z",
"structure_string": "Tl2 Zn4 Sb4\n1.0\n6.830440 0.085750 -1.899458\n-3.925207 5.590617 -1.899458\n-0.043888 -0.085750 7.089493\nTl Zn Sb\n2 4 4\ndirect\n0.769850 0.769850 -0.000000 Tl\n0.269840 0.269840 -0.000000 Tl\n0.770621 0.986880 0.499996 Zn\n0.986880 0.486883 0.216258 Zn\n0.486883 0.270625 0.500002 Zn\n0.270624 0.770622 0.783741 Zn\n0.833855 0.641597 0.500001 Sb\n0.333854 0.833856 0.192258 Sb\n0.641597 0.141595 0.807741 Sb\n0.141595 0.333854 0.499998 Sb\n",
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"elements": [
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"density": 7.094855890748503,
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"volume": 270.89749027225264,
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"formula_full": "Tl2 Zn4 Sb4",
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"spacegroup": 108
},
{
"id": "jvasp-78298",
"created_at": "2022-09-04T14:37:12.514313Z",
"updated_at": "2022-09-04T14:37:12.514328Z",
"structure_string": "Tm1 Sb2\n1.0\n3.372154 0.000000 0.000000\n-1.686077 3.111816 0.000000\n0.000000 0.000000 8.463413\nTm Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n-0.000000 0.500001 0.705268 Sb\n0.499999 0.500001 0.294732 Sb\n",
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},
{
"id": "jvasp-87890",
"created_at": "2022-09-04T14:35:47.725416Z",
"updated_at": "2022-09-04T14:35:47.725429Z",
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}