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{
"id": "jvasp-11137",
"created_at": "2022-09-04T14:36:53.143724Z",
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"structure_string": "Ti2 P4 S12\n1.0\n6.672968 -0.070113 -1.234195\n-2.785063 6.064392 -1.234195\n-0.065457 -0.100920 11.226196\nTi P S\n2 4 12\ndirect\n0.600351 0.100351 0.200701 Ti\n0.850351 0.850351 0.700700 Ti\n0.638267 0.512082 0.376619 P\n0.738353 0.864538 0.376619 P\n0.614538 0.988353 0.876619 P\n0.262082 0.888267 0.876619 P\n0.668188 0.709671 0.856970 S\n0.188783 0.147299 0.856970 S\n0.985228 0.030284 0.543766 S\n0.558539 0.513483 0.543766 S\n0.780283 0.235228 0.043766 S\n0.375757 0.308141 0.224793 S\n0.849037 0.916651 0.224793 S\n0.666651 0.099037 0.724793 S\n0.058141 0.625757 0.724793 S\n0.459671 0.918187 0.356970 S\n0.897300 0.438783 0.356970 S\n0.263483 0.808538 0.043766 S\n",
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{
"id": "jvasp-17189",
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"structure_string": "Ti2 Pd1\n1.0\n2.979076 0.000000 -0.902184\n-0.273217 2.966521 -0.902184\n0.017955 0.019684 5.428943\nTi Pd\n2 1\ndirect\n0.664686 0.664685 0.329373 Ti\n0.335313 0.335313 0.670628 Ti\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-37398",
"created_at": "2022-09-04T14:38:00.686014Z",
"updated_at": "2022-09-04T14:38:00.686026Z",
"structure_string": "Ti2 Pd2\n1.0\n0.000000 2.791158 0.016770\n4.577541 0.000000 0.000000\n0.000000 -0.204195 -4.890351\nTi Pd\n2 2\ndirect\n0.456457 0.250000 0.199119 Ti\n0.543542 0.750000 0.800881 Ti\n0.009511 0.250000 0.686909 Pd\n0.990488 0.750000 0.313091 Pd\n",
"nsites": 4,
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"density_atomic": 0.06403424039946502,
"volume": 62.466579989811486,
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"formula_full": "Ti2 Pd2",
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"spacegroup": 11
},
{
"id": "jvasp-37536",
"created_at": "2022-09-04T14:38:11.193950Z",
"updated_at": "2022-09-04T14:38:11.193975Z",
"structure_string": "Ti2 Pd2\n1.0\n2.789735 0.000000 0.000000\n0.000000 4.585622 0.000000\n0.000000 0.000000 4.879904\nTi Pd\n2 2\ndirect\n0.000000 0.750000 0.201735 Ti\n0.000000 0.250000 0.798264 Ti\n0.499999 0.750000 0.689521 Pd\n0.499999 0.250000 0.310478 Pd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ti2 Pd2",
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"formula_anonymous": "AB",
"energy_above_hull": 1.5542820166666669,
"spacegroup": 51
},
{
"id": "jvasp-81273",
"created_at": "2022-09-04T14:37:13.255195Z",
"updated_at": "2022-09-04T14:37:13.255211Z",
"structure_string": "Ti2 Pt1 W1\n1.0\n-8.855971 0.000000 -5.112998\n-5.814592 0.287509 -0.154826\n-5.025721 2.518774 -1.521191\nTi Pt W\n2 1 1\ndirect\n0.744599 -0.000001 0.000000 Ti\n0.255402 -0.000000 0.000000 Ti\n0.500000 -0.000000 0.000000 Pt\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
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"elements": [
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"density": 11.605542690669017,
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"formula_full": "Ti2 Pt1 W1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-37026",
"created_at": "2022-09-04T14:38:05.371752Z",
"updated_at": "2022-09-04T14:38:05.371773Z",
"structure_string": "Ti2 Pt2\n1.0\n2.771465 0.000000 0.000000\n0.000000 4.629243 -0.000000\n0.000000 -0.000000 4.870890\nTi Pt\n2 2\ndirect\n0.500001 0.749999 0.697819 Ti\n0.500001 0.250000 0.302181 Ti\n0.000000 0.749999 0.190511 Pt\n0.000000 0.250000 0.809489 Pt\n",
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},
{
"id": "jvasp-38967",
"created_at": "2022-09-04T14:37:47.678118Z",
"updated_at": "2022-09-04T14:37:47.678138Z",
"structure_string": "Ti2 Pt6\n1.0\n2.802437 -4.853963 0.000000\n2.802437 4.853963 -0.000000\n0.000000 0.000000 4.529995\nTi Pt\n2 6\ndirect\n0.333334 0.666667 0.250000 Ti\n0.666667 0.333334 0.749999 Ti\n0.167623 0.832378 0.749999 Pt\n0.664756 0.832378 0.749999 Pt\n0.167623 0.335245 0.749999 Pt\n0.832378 0.167623 0.250000 Pt\n0.335245 0.167623 0.250000 Pt\n0.832378 0.664756 0.250000 Pt\n",
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"volume": 123.24236907169379,
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},
{
"id": "jvasp-35762",
"created_at": "2022-09-04T14:37:32.636735Z",
"updated_at": "2022-09-04T14:37:32.636759Z",
"structure_string": "Ti2 Re1\n1.0\n2.181502 -3.778473 -0.000000\n2.181502 3.778473 0.000000\n0.000000 -0.000000 2.852133\nTi Re\n2 1\ndirect\n0.333333 0.666666 0.298247 Ti\n0.666666 0.333333 0.701752 Ti\n0.000000 0.000000 0.000000 Re\n",
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"elements": [
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{
"id": "jvasp-75753",
"created_at": "2022-09-04T14:36:16.715631Z",
"updated_at": "2022-09-04T14:36:16.715664Z",
"structure_string": "Ti2 Re1 As1\n1.0\n-0.000000 3.125151 3.125151\n3.125151 0.000000 3.125151\n3.125151 3.125151 0.000000\nTi Re As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 As\n",
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"density": 9.707493719912675,
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"volume": 61.04400433377563,
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"formula_full": "Ti2 Re1 As1",
"formula_reduced": "Ti2ReAs",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-39689",
"created_at": "2022-09-04T14:37:41.007307Z",
"updated_at": "2022-09-04T14:37:41.007338Z",
"structure_string": "Ti2 Re1 Ir1\n1.0\n-0.000000 3.107209 3.107209\n3.107209 0.000000 3.107209\n3.107209 3.107209 -0.000000\nTi Re Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.749999 0.749999 0.749999 Re\n0.249999 0.249999 0.249999 Ir\n",
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{
"id": "jvasp-79997",
"created_at": "2022-09-04T14:37:17.835768Z",
"updated_at": "2022-09-04T14:37:17.835786Z",
"structure_string": "Ti2 Re1 Ni1\n1.0\n-0.000000 3.062788 3.062788\n3.062788 -0.000000 3.062788\n3.062788 3.062788 0.000000\nTi Re Ni\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Re\n0.250001 0.250001 0.250001 Ni\n",
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{
"id": "jvasp-79956",
"created_at": "2022-09-04T14:36:44.878208Z",
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"structure_string": "Ti2 Re1 Os1\n1.0\n0.000000 3.106309 3.106309\n3.106309 -0.000000 3.106309\n3.106309 3.106309 -0.000000\nTi Re Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Re\n0.250000 0.250000 0.250000 Os\n",
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"formula_full": "Ti2 Re1 Os1",
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}
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