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{
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{
"id": "jvasp-9377",
"created_at": "2022-09-04T14:38:35.764087Z",
"updated_at": "2022-09-04T14:38:35.764105Z",
"structure_string": "Tl8 Sn2 Te6\n1.0\n7.770927 -0.000000 -4.356392\n-2.442198 7.377194 -4.356392\n0.019108 0.026452 9.143166\nTl Sn Te\n8 2 6\ndirect\n0.986223 0.486222 0.680694 Tl\n0.013777 0.513777 0.319306 Tl\n0.194471 0.986222 0.680694 Tl\n0.486223 0.694471 0.680694 Tl\n0.805529 0.013777 0.319307 Tl\n0.513778 0.305528 0.319306 Tl\n0.305528 0.805528 0.319306 Tl\n0.694472 0.194471 0.680694 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.335104 0.835103 -0.000000 Te\n0.835104 0.664896 0.000000 Te\n0.164896 0.335104 -0.000000 Te\n0.750000 0.749999 0.500000 Te\n0.250000 0.250000 0.500000 Te\n0.664896 0.164896 0.000000 Te\n",
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{
"id": "jvasp-98729",
"created_at": "2022-09-04T14:38:16.858071Z",
"updated_at": "2022-09-04T14:38:16.858103Z",
"structure_string": "Tl4 Sn2 Te10\n1.0\n7.603698 -0.000000 -3.653368\n-1.755876 7.397621 -3.654478\n0.000359 -0.001010 9.740160\nTl Sn Te\n4 2 10\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.249952 0.250000 0.500000 Tl\n0.750048 0.750000 0.500000 Tl\n0.249985 0.750000 0.500000 Sn\n0.750014 0.250000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Te\n-0.000000 0.500000 -0.000000 Te\n0.321895 0.821884 0.268970 Te\n0.447075 0.321884 0.268970 Te\n0.821785 0.946994 0.268791 Te\n0.552925 0.678116 0.731029 Te\n0.178215 0.053006 0.731209 Te\n0.052994 0.553006 0.731209 Te\n0.678105 0.178116 0.731029 Te\n0.947006 0.446994 0.268791 Te\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Sn-Te-Tl",
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"density_atomic": 0.029204962107265836,
"volume": 547.8521061329984,
"volume_molar": 20.620265617471098,
"formula_full": "Tl4 Sn2 Te10",
"formula_reduced": "Tl2SnTe5",
"formula_anonymous": "AB2C5",
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"spacegroup": 140
},
{
"id": "jvasp-16136",
"created_at": "2022-09-04T14:36:54.549779Z",
"updated_at": "2022-09-04T14:36:54.549801Z",
"structure_string": "Zr2 Sn2 Te2\n1.0\n4.112598 0.000000 -0.000000\n0.000000 4.112598 0.000000\n0.000000 0.000000 8.798651\nZr Sn Te\n2 2 2\ndirect\n0.000000 0.500000 0.264220 Zr\n0.500000 0.000000 0.735780 Zr\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.620013 Te\n0.500000 0.000000 0.379986 Te\n",
"nsites": 6,
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"elements": [
"Zr",
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"Te"
],
"chemical_system": "Sn-Te-Zr",
"density": 7.532653797266545,
"density_atomic": 0.04031833961541417,
"volume": 148.81565206385955,
"volume_molar": 14.936480066995777,
"formula_full": "Zr2 Sn2 Te2",
"formula_reduced": "ZrSnTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4361879888888895,
"spacegroup": 129
},
{
"id": "jvasp-14716",
"created_at": "2022-09-04T14:36:31.982251Z",
"updated_at": "2022-09-04T14:36:31.982271Z",
"structure_string": "Th1 Sn3\n1.0\n4.772698 0.000000 -0.000000\n0.000000 4.772698 0.000000\n0.000000 0.000000 4.772698\nTh Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sn-Th",
"density": 8.983770948454731,
"density_atomic": 0.036793247988263375,
"volume": 108.71559915764854,
"volume_molar": 16.367516023377423,
"formula_full": "Th1 Sn3",
"formula_reduced": "ThSn3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-18791",
"created_at": "2022-09-04T14:36:08.434857Z",
"updated_at": "2022-09-04T14:36:08.434888Z",
"structure_string": "Th2 Sn4\n1.0\n4.427529 -0.000000 -0.000000\n-0.000000 4.364093 -1.141539\n0.000000 -0.000463 8.910940\nTh Sn\n2 4\ndirect\n0.750000 0.103345 0.206691 Th\n0.250000 0.896655 0.793309 Th\n0.750000 0.749762 0.499525 Sn\n0.250000 0.250238 0.500475 Sn\n0.750000 0.439252 0.878505 Sn\n0.250000 0.560748 0.121495 Sn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Sn-Th",
"density": 9.055300450860043,
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"volume": 172.17616422350895,
"volume_molar": 17.281151607847452,
"formula_full": "Th2 Sn4",
"formula_reduced": "ThSn2",
"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-91528",
"created_at": "2022-09-04T14:36:16.026261Z",
"updated_at": "2022-09-04T14:36:16.026287Z",
"structure_string": "Ti6 Sn2\n1.0\n-0.000000 -0.000000 -4.742635\n-5.745534 -0.000000 -0.000000\n2.872766 5.240789 0.000000\nTi Sn\n6 2\ndirect\n0.750001 0.823401 0.646804 Ti\n0.250000 0.176598 0.353196 Ti\n0.750001 0.833357 0.146357 Ti\n0.250000 0.686999 0.853643 Ti\n0.250000 0.166642 0.853643 Ti\n0.750001 0.312999 0.146357 Ti\n0.750001 0.332666 0.665334 Sn\n0.250000 0.667333 0.334666 Sn\n",
"nsites": 8,
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"elements": [
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"volume": 142.80610560238821,
"volume_molar": 10.749980866562579,
"formula_full": "Ti6 Sn2",
"formula_reduced": "Ti3Sn",
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"spacegroup": 63
},
{
"id": "jvasp-36224",
"created_at": "2022-09-04T14:36:46.674915Z",
"updated_at": "2022-09-04T14:36:46.674941Z",
"structure_string": "Ti2 Sn1\n1.0\n3.241030 3.241030 0.000000\n3.241030 0.000000 -3.241030\n0.000000 3.241030 -3.241030\nTi Sn\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Sn\n",
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"elements": [
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"density_atomic": 0.044059757853926775,
"volume": 68.08934379408144,
"volume_molar": 13.668120419466366,
"formula_full": "Ti2 Sn1",
"formula_reduced": "Ti2Sn",
"formula_anonymous": "AB2",
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"spacegroup": 216
},
{
"id": "jvasp-122618",
"created_at": "2022-09-04T14:38:54.976120Z",
"updated_at": "2022-09-04T14:38:54.976157Z",
"structure_string": "Ti1 Sn7\n1.0\n6.566046 -0.000000 -0.000000\n-0.000000 6.566046 0.000000\n0.000000 -0.000000 6.566046\nTi Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ti\n0.242494 0.242494 0.742495 Sn\n0.000000 0.500000 0.000000 Sn\n0.242494 0.757506 0.257506 Sn\n0.500000 0.000000 0.000000 Sn\n0.757506 0.242494 0.257506 Sn\n0.500000 0.500000 0.500000 Sn\n0.757506 0.757506 0.742495 Sn\n",
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"volume": 283.08167904280907,
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"formula_full": "Ti1 Sn7",
"formula_reduced": "TiSn7",
"formula_anonymous": "AB7",
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"spacegroup": 215
},
{
"id": "jvasp-23495",
"created_at": "2022-09-04T14:37:33.811001Z",
"updated_at": "2022-09-04T14:37:33.811022Z",
"structure_string": "Ti10 Sn6\n1.0\n4.031604 -6.982943 -0.000000\n4.031604 6.982943 -0.000000\n0.000000 0.000000 5.435944\nTi Sn\n10 6\ndirect\n-0.000000 0.758481 0.749999 Ti\n0.758481 0.758481 0.250000 Ti\n0.241518 -0.000000 0.250000 Ti\n0.758481 -0.000000 0.749999 Ti\n0.241518 0.241518 0.749999 Ti\n-0.000000 0.241518 0.250000 Ti\n0.333333 0.666666 0.000000 Ti\n0.666666 0.333333 0.500000 Ti\n0.666666 0.333333 0.000000 Ti\n0.333333 0.666666 0.500000 Ti\n-0.000000 0.390639 0.749999 Sn\n0.390639 0.390639 0.250000 Sn\n0.609360 -0.000000 0.250000 Sn\n0.390639 -0.000000 0.749999 Sn\n0.609360 0.609360 0.749999 Sn\n-0.000000 0.609360 0.250000 Sn\n",
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"volume": 306.07040216155457,
"volume_molar": 11.519994026791812,
"formula_full": "Ti10 Sn6",
"formula_reduced": "Ti5Sn3",
"formula_anonymous": "A3B5",
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"spacegroup": 193
},
{
"id": "jvasp-17935",
"created_at": "2022-09-04T14:37:28.185757Z",
"updated_at": "2022-09-04T14:37:28.185785Z",
"structure_string": "Ti6 Sn2\n1.0\n2.946287 -5.103119 0.000000\n2.946287 5.103119 -0.000000\n0.000000 0.000000 4.752822\nTi Sn\n6 2\ndirect\n0.673410 0.836706 0.750000 Ti\n0.836706 0.673410 0.250000 Ti\n0.326591 0.163295 0.250000 Ti\n0.163295 0.326591 0.750000 Ti\n0.163295 0.836706 0.750000 Ti\n0.836706 0.163295 0.250000 Ti\n0.666668 0.333334 0.750000 Sn\n0.333334 0.666668 0.250000 Sn\n",
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},
{
"id": "jvasp-37039",
"created_at": "2022-09-04T14:35:47.538191Z",
"updated_at": "2022-09-04T14:35:47.538214Z",
"structure_string": "Ti3 Sn1\n1.0\n3.289745 3.289745 0.000000\n3.289745 0.000000 -3.289745\n-0.000000 3.289745 -3.289745\nTi Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Sn\n",
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"formula_full": "Ti3 Sn1",
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},
{
"id": "jvasp-56579",
"created_at": "2022-09-04T14:38:19.805742Z",
"updated_at": "2022-09-04T14:38:19.805765Z",
"structure_string": "Ti3 Sn1\n1.0\n4.152459 0.000000 0.000000\n0.000000 4.152459 0.000000\n-0.000000 -0.000000 4.152459\nTi Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Sn\n",
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}
]
}