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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3492",
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{
"id": "jvasp-105326",
"created_at": "2022-09-04T14:36:57.258406Z",
"updated_at": "2022-09-04T14:36:57.258442Z",
"structure_string": "Si2 P4 Rh1\n1.0\n4.676137 0.007574 1.568001\n-1.125470 4.538682 1.568001\n0.006551 0.008388 5.624445\nSi P Rh\n2 4 1\ndirect\n0.589130 0.589129 0.136247 Si\n0.410871 0.410870 0.863752 Si\n0.161121 0.710145 0.345076 P\n0.289854 0.838879 0.654923 P\n0.710146 0.161120 0.345076 P\n0.838879 0.289854 0.654923 P\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "Si2 Rh3\n1.0\n3.981920 0.000000 0.000000\n-1.990961 3.448444 0.000000\n0.000000 -0.000000 5.181412\nSi Rh\n2 3\ndirect\n0.333333 0.666666 0.206704 Si\n0.666666 0.333333 0.793296 Si\n0.333333 0.666666 0.672885 Rh\n0.666666 0.333333 0.327115 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-56324",
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"structure_string": "Si16 Ru8\n1.0\n6.552490 -0.007783 -0.000000\n-1.480610 6.383022 -0.000000\n0.000000 0.000000 8.272106\nSi Ru\n16 8\ndirect\n0.095781 0.350450 0.555652 Si\n0.904219 0.649550 0.444348 Si\n0.850450 0.595781 0.944349 Si\n0.149550 0.404219 0.055652 Si\n0.323310 0.576958 0.774327 Si\n0.404219 0.149550 0.055652 Si\n0.076958 0.823310 0.725673 Si\n0.923042 0.176690 0.274327 Si\n0.576958 0.323310 0.774327 Si\n0.350450 0.095781 0.555652 Si\n0.676690 0.423042 0.225673 Si\n0.423042 0.676690 0.225673 Si\n0.176690 0.923042 0.274327 Si\n0.649550 0.904219 0.444348 Si\n0.595781 0.850450 0.944349 Si\n0.823310 0.076958 0.725673 Si\n0.784585 0.215415 0.000000 Ru\n0.284585 0.715415 0.500000 Ru\n0.215415 0.784585 0.000000 Ru\n0.310510 0.310510 0.317475 Ru\n0.715415 0.284585 0.500000 Ru\n0.810510 0.810510 0.182525 Ru\n0.689490 0.689490 0.682526 Ru\n0.189490 0.189490 0.817475 Ru\n",
"nsites": 24,
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"elements": [
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],
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"density": 6.039149160977571,
"density_atomic": 0.06938763998692017,
"volume": 345.88292676511395,
"volume_molar": 8.678981964417865,
"formula_full": "Si16 Ru8",
"formula_reduced": "Si2Ru",
"formula_anonymous": "AB2",
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"spacegroup": 64
},
{
"id": "jvasp-14914",
"created_at": "2022-09-04T14:35:47.375840Z",
"updated_at": "2022-09-04T14:35:47.375869Z",
"structure_string": "Si2 Ru1\n1.0\n2.896015 0.000000 0.000000\n0.000000 2.896015 0.000000\n0.000000 -0.000000 5.287047\nSi Ru\n2 1\ndirect\n0.500001 0.500001 0.721151 Si\n0.500001 0.500001 0.278850 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"elements": [
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"density": 5.888438038156456,
"density_atomic": 0.0676560236857518,
"volume": 44.34194971218495,
"volume_molar": 8.901115424653975,
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"spacegroup": 123
},
{
"id": "jvasp-16865",
"created_at": "2022-09-04T14:38:30.124095Z",
"updated_at": "2022-09-04T14:38:30.124123Z",
"structure_string": "Si2 Ru1\n1.0\n3.496503 0.000000 2.018706\n1.165501 3.296535 2.018706\n-0.000000 -0.000000 4.037414\nSi Ru\n2 1\ndirect\n0.749999 0.749999 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"elements": [
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"density": 5.610738314822125,
"density_atomic": 0.06446535428621163,
"volume": 46.53662472218297,
"volume_molar": 9.341670152409392,
"formula_full": "Si2 Ru1",
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"spacegroup": 225
},
{
"id": "jvasp-100443",
"created_at": "2022-09-04T14:36:39.821851Z",
"updated_at": "2022-09-04T14:36:39.821876Z",
"structure_string": "Si4 Se2 N4\n1.0\n6.098924 0.002013 0.000000\n-2.582602 4.981195 0.000000\n-0.000000 -0.000000 4.915848\nSi Se N\n4 2 4\ndirect\n0.624674 0.166040 0.909654 Si\n0.375325 0.541365 0.909654 Si\n0.375325 0.833959 0.409654 Si\n0.624674 0.458634 0.409654 Si\n-0.000000 0.781998 0.263513 Se\n-0.000000 0.218001 0.763513 Se\n0.555365 0.150055 0.255391 N\n0.444634 0.594689 0.255391 N\n0.444634 0.849943 0.755391 N\n0.555365 0.405310 0.755391 N\n",
"nsites": 10,
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"elements": [
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"Se",
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],
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"density": 3.627369030560424,
"density_atomic": 0.06694844229421487,
"volume": 149.36867322548767,
"volume_molar": 8.9951917529833,
"formula_full": "Si4 Se2 N4",
"formula_reduced": "Si2SeN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-9832",
"created_at": "2022-09-04T14:38:35.544702Z",
"updated_at": "2022-09-04T14:38:35.544730Z",
"structure_string": "Si4 Sn2 O12\n1.0\n5.261751 0.110344 1.203372\n1.427039 6.464765 0.581359\n0.177350 -0.053209 6.643290\nSi Sn O\n4 2 12\ndirect\n0.235092 0.218431 0.386482 Si\n0.264911 0.613516 0.781568 Si\n0.735092 0.386481 0.218431 Si\n0.764912 0.781567 0.613516 Si\n0.250001 0.109049 0.890948 Sn\n0.750002 0.890948 0.109048 Sn\n0.648210 0.950019 0.810380 O\n0.851790 0.189619 0.049978 O\n0.692634 0.608154 0.096137 O\n0.807353 0.903869 0.391848 O\n0.307352 0.391846 0.903869 O\n0.540623 0.650018 0.634137 O\n0.959386 0.365870 0.349973 O\n0.351789 0.049978 0.189621 O\n0.040622 0.634135 0.650019 O\n0.459387 0.349974 0.365870 O\n0.192634 0.096135 0.608155 O\n0.148211 0.810380 0.950020 O\n",
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"elements": [
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],
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"density": 4.022648054607678,
"density_atomic": 0.0804882856194105,
"volume": 223.63502789850867,
"volume_molar": 7.4820089826185905,
"formula_full": "Si4 Sn2 O12",
"formula_reduced": "Si2SnO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-81634",
"created_at": "2022-09-04T14:37:19.093903Z",
"updated_at": "2022-09-04T14:37:19.093921Z",
"structure_string": "Si2 Tc1 Ir1\n1.0\n-7.940097 0.000012 -4.584198\n-8.293035 -0.003468 5.195501\n-5.409415 8.152640 0.200927\nSi Tc Ir\n2 1 1\ndirect\n0.746290 0.000000 -0.000000 Si\n0.253710 -0.000000 -0.000000 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 -0.000000 Ir\n",
"nsites": 4,
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],
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"density": 0.8899081466682787,
"density_atomic": 0.006188611758558733,
"volume": 646.3485117592124,
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"formula_full": "Si2 Tc1 Ir1",
"formula_reduced": "Si2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.80850245,
"spacegroup": 71
},
{
"id": "jvasp-37215",
"created_at": "2022-09-04T14:37:54.783174Z",
"updated_at": "2022-09-04T14:37:54.783194Z",
"structure_string": "Si2 Tc1 Os1\n1.0\n0.000000 2.975504 2.975504\n2.975504 -0.000000 2.975504\n2.975504 2.975504 -0.000000\nSi Tc Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499998 0.499998 0.499998 Si\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Os\n",
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"density": 10.854301737527825,
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"volume": 52.68798757444164,
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"formula_full": "Si2 Tc1 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-82003",
"created_at": "2022-09-04T14:37:18.164362Z",
"updated_at": "2022-09-04T14:37:18.164391Z",
"structure_string": "Si2 Tc1 Rh1\n1.0\n-8.481947 -0.000001 -4.897053\n-5.470683 -1.155591 -0.318607\n-4.106126 2.703961 -2.682089\nSi Tc Rh\n2 1 1\ndirect\n0.742670 0.000001 0.000001 Si\n0.257329 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Rh\n",
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"volume": 62.08012956721699,
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},
{
"id": "jvasp-100051",
"created_at": "2022-09-04T14:36:16.898232Z",
"updated_at": "2022-09-04T14:36:16.898258Z",
"structure_string": "Si4 Te2 N4\n1.0\n6.693822 -0.004874 0.000000\n-2.385606 5.128013 -0.000000\n-0.000000 -0.000000 5.014249\nSi Te N\n4 2 4\ndirect\n0.605393 0.158843 0.862814 Si\n0.394606 0.553449 0.862814 Si\n0.394606 0.841157 0.362814 Si\n0.605393 0.446551 0.362814 Si\n-0.000001 0.763586 0.467545 Te\n-0.000000 0.236414 0.967545 Te\n0.525422 0.144603 0.200214 N\n0.474577 0.619180 0.200214 N\n0.474577 0.855397 0.700214 N\n0.525422 0.380820 0.700214 N\n",
"nsites": 10,
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],
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"density": 4.087813018107357,
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"volume": 172.06083954361782,
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"formula_full": "Si4 Te2 N4",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-8189",
"created_at": "2022-09-04T14:37:04.941730Z",
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"structure_string": "Si6 W3\n1.0\n2.322404 -4.022523 -0.000000\n2.322404 4.022523 -0.000000\n-0.000000 0.000000 6.671152\nSi W\n6 3\ndirect\n0.163834 0.327669 0.000000 Si\n0.327669 0.163834 0.666667 Si\n0.836165 0.163834 0.333333 Si\n0.836164 0.672329 0.000000 Si\n0.672329 0.836164 0.666667 Si\n0.163834 0.836165 0.333333 Si\n0.499999 0.499999 0.333333 W\n-0.000000 0.499999 0.666667 W\n0.499999 -0.000000 0.000000 W\n",
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"volume": 124.64278335235147,
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"formula_full": "Si6 W3",
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}