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{
"id": "jvasp-35611",
"created_at": "2022-09-04T14:37:36.709571Z",
"updated_at": "2022-09-04T14:37:36.709596Z",
"structure_string": "Ce2 Si4 Ru2\n1.0\n0.000000 4.446417 0.009065\n4.123788 0.000000 0.000000\n0.000000 -1.830776 -8.062588\nCe Si Ru\n2 4 2\ndirect\n0.407348 0.750000 0.800265 Ce\n0.592651 0.250000 0.199735 Ce\n0.042730 0.750000 0.088981 Si\n0.957269 0.250000 0.911018 Si\n0.668257 0.750000 0.494191 Si\n0.331743 0.250000 0.505808 Si\n0.113684 0.750000 0.385547 Ru\n0.886316 0.250000 0.614453 Ru\n",
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{
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"created_at": "2022-09-04T14:37:58.030346Z",
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"structure_string": "Ce2 Si4 Pt4\n1.0\n4.276621 0.000000 0.000000\n0.000000 4.276621 0.000000\n0.000000 0.000000 9.797706\nCe Si Pt\n2 4 4\ndirect\n0.500000 0.000000 0.252163 Ce\n0.000000 0.500000 0.747837 Ce\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.132415 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.867586 Si\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.620833 Pt\n0.000000 0.500000 0.379168 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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{
"id": "jvasp-86405",
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"updated_at": "2022-09-04T14:36:00.527659Z",
"structure_string": "Ce2 Si4 Pt2\n1.0\n4.255667 0.000000 0.000000\n-0.000000 4.137884 -1.061761\n0.000000 0.008870 8.628511\nCe Si Pt\n2 4 2\ndirect\n0.250000 0.603084 0.206170 Ce\n0.750001 0.396915 0.793830 Ce\n0.250000 0.965396 0.930793 Si\n0.750001 0.034603 0.069207 Si\n0.750001 0.749245 0.498491 Si\n0.250000 0.250754 0.501509 Si\n0.750001 0.178977 0.357956 Pt\n0.250000 0.821021 0.642044 Pt\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.05263730420327163,
"volume": 151.98346725938077,
"volume_molar": 11.440822912860531,
"formula_full": "Ce2 Si4 Pt2",
"formula_reduced": "CeSi2Pt",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-110271",
"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Os",
"Ru"
],
"chemical_system": "Ce-Os-Ru-Si",
"density": 8.516697001037143,
"density_atomic": 0.057887062922527,
"volume": 172.75017067947417,
"volume_molar": 10.403258441458181,
"formula_full": "Ce2 Si4 Os1 Ru3",
"formula_reduced": "Ce2Si4OsRu3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 4.275804190000001,
"spacegroup": 115
},
{
"id": "jvasp-91841",
"created_at": "2022-09-04T14:35:40.852067Z",
"updated_at": "2022-09-04T14:35:40.852082Z",
"structure_string": "Ce2 Si4 Ni2\n1.0\n4.069837 0.000000 -0.000000\n0.000000 3.995333 -1.007716\n-0.000000 -0.000640 8.421551\nCe Si Ni\n2 4 2\ndirect\n0.250000 0.894207 0.788416 Ce\n0.750001 0.105792 0.211583 Ce\n0.250000 0.249256 0.498513 Si\n0.750001 0.750743 0.501487 Si\n0.750001 0.459964 0.919927 Si\n0.250000 0.540036 0.080072 Si\n0.750001 0.319203 0.638407 Ni\n0.250000 0.680796 0.361592 Ni\n",
"nsites": 8,
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"elements": [
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"Si",
"Ni"
],
"chemical_system": "Ce-Ni-Si",
"density": 6.184037786239748,
"density_atomic": 0.05842197443688111,
"volume": 136.93477629112263,
"volume_molar": 10.30800622205314,
"formula_full": "Ce2 Si4 Ni2",
"formula_reduced": "CeSi2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.173511275,
"spacegroup": 63
},
{
"id": "jvasp-21897",
"created_at": "2022-09-04T14:37:46.091955Z",
"updated_at": "2022-09-04T14:37:46.091970Z",
"structure_string": "Ce2 Si4 Ir6\n1.0\n5.110741 0.000000 2.365965\n1.811125 5.822273 2.790633\n-0.001302 -0.025434 6.705671\nCe Si Ir\n2 4 6\ndirect\n0.966058 0.750000 0.749998 Ce\n0.033943 0.250000 0.250000 Ce\n0.618139 0.580501 0.580500 Si\n0.720860 0.080501 0.080500 Si\n0.381862 0.419499 0.419498 Si\n0.279141 0.919499 0.919498 Si\n0.500000 0.217874 0.782125 Ir\n0.500000 0.500000 -0.000001 Ir\n0.000000 0.282127 0.717873 Ir\n0.500001 0.782126 0.217873 Ir\n0.000001 0.717874 0.282126 Ir\n0.500000 0.000000 0.499999 Ir\n",
"nsites": 12,
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"elements": [
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"density": 12.847366785525441,
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"volume": 199.80650766594854,
"volume_molar": 10.02719094940301,
"formula_full": "Ce2 Si4 Ir6",
"formula_reduced": "CeSi2Ir3",
"formula_anonymous": "AB2C3",
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"spacegroup": 74
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{
"id": "jvasp-23700",
"created_at": "2022-09-04T14:37:33.402012Z",
"updated_at": "2022-09-04T14:37:33.402024Z",
"structure_string": "Ce2 Si4 Ir4\n1.0\n4.176214 0.000000 0.000000\n-0.000000 4.176214 -0.000000\n0.000000 -0.000000 9.913588\nCe Si Ir\n2 4 4\ndirect\n0.499999 0.000000 0.755392 Ce\n0.000000 0.499999 0.244608 Ce\n0.499999 0.000000 0.369683 Si\n0.499999 0.499999 0.000000 Si\n0.000000 0.499999 0.630317 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.499999 0.872713 Ir\n0.499999 0.499999 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n0.499999 0.000000 0.127287 Ir\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.05783671847291805,
"volume": 172.90054249330353,
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"formula_full": "Ce2 Si4 Ir4",
"formula_reduced": "Ce(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5678329799999995,
"spacegroup": 129
},
{
"id": "jvasp-91521",
"created_at": "2022-09-04T14:35:48.922277Z",
"updated_at": "2022-09-04T14:35:48.922308Z",
"structure_string": "Ce2 Si4 Ir2\n1.0\n0.000000 0.000000 -4.213987\n-4.205215 -0.000000 0.000000\n2.102608 8.427301 -0.000000\nCe Si Ir\n2 4 2\ndirect\n0.750001 0.105885 0.211771 Ce\n0.250000 0.894113 0.788229 Ce\n0.750001 0.463877 0.927756 Si\n0.250000 0.536121 0.072244 Si\n0.750001 0.750017 0.500035 Si\n0.250000 0.249982 0.499964 Si\n0.750001 0.323091 0.646183 Ir\n0.250000 0.676908 0.353817 Ir\n",
"nsites": 8,
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"elements": [
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],
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"volume": 149.33785268788554,
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"formula_full": "Ce2 Si4 Ir2",
"formula_reduced": "CeSi2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-90861",
"created_at": "2022-09-04T14:36:03.934993Z",
"updated_at": "2022-09-04T14:36:03.935016Z",
"structure_string": "Ce2 Si4 Ag2\n1.0\n-0.000000 0.000000 -4.208066\n-4.189147 0.000000 0.000000\n2.094573 8.864977 0.000000\nCe Si Ag\n2 4 2\ndirect\n0.750001 0.404222 0.808443 Ce\n0.250000 0.595779 0.191558 Ce\n0.750001 0.031637 0.063274 Si\n0.250000 0.968364 0.936726 Si\n0.750001 0.162742 0.325484 Si\n0.250000 0.837259 0.674517 Si\n0.750001 0.748343 0.496686 Ag\n0.250000 0.251658 0.503314 Ag\n",
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"elements": [
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"Ag"
],
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"volume": 156.27365013549584,
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"formula_full": "Ce2 Si4 Ag2",
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{
"id": "jvasp-93341",
"created_at": "2022-09-04T14:35:44.941645Z",
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"structure_string": "Ce2 Si4\n1.0\n4.103239 0.000000 -0.000000\n0.000000 4.103239 0.000000\n-2.051619 -2.051619 7.133075\nCe Si\n2 4\ndirect\n0.250000 0.750000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666772 0.166772 0.333544 Si\n0.583229 0.583229 0.166457 Si\n0.833229 0.333229 0.666457 Si\n0.416772 0.416772 0.833544 Si\n",
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{
"id": "jvasp-20230",
"created_at": "2022-09-04T14:37:52.194641Z",
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"structure_string": "Ce2 Si4\n1.0\n3.943419 0.000000 -1.134134\n-0.326179 3.929906 -1.134134\n0.080386 0.087335 7.702262\nCe Si\n2 4\ndirect\n0.875000 0.625000 0.250001 Ce\n0.125001 0.375000 0.750000 Ce\n0.708231 0.958230 0.916459 Si\n0.458230 0.208230 0.416459 Si\n0.541771 0.791770 0.583542 Si\n0.291770 0.041770 0.083541 Si\n",
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{
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"structure_string": "Ce2 Si4\n1.0\n3.943419 0.000000 -1.134134\n-0.326179 3.929906 -1.134134\n0.080386 0.087335 7.702262\nCe Si\n2 4\ndirect\n0.875000 0.625000 0.250001 Ce\n0.125001 0.375000 0.750000 Ce\n0.708231 0.958230 0.916459 Si\n0.458230 0.208230 0.416459 Si\n0.541771 0.791770 0.583542 Si\n0.291770 0.041770 0.083541 Si\n",
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}