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{
"id": "jvasp-101138",
"created_at": "2022-09-04T14:36:46.335731Z",
"updated_at": "2022-09-04T14:36:46.335749Z",
"structure_string": "Nb4 Pd1\n1.0\n11.599806 0.013593 1.782042\n11.280268 2.706201 1.031432\n-0.000535 0.004506 2.813474\nNb Pd\n4 1\ndirect\n0.404660 0.404660 0.595339 Nb\n0.802292 0.802290 0.197707 Nb\n0.197709 0.197710 0.802289 Nb\n0.595341 0.595340 0.404658 Nb\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-101136",
"created_at": "2022-09-04T14:36:30.614284Z",
"updated_at": "2022-09-04T14:36:30.614307Z",
"structure_string": "Nb1 Pt4\n1.0\n2.813682 0.003261 11.428825\n1.388902 2.446992 11.428825\n0.005593 0.003261 11.770082\nNb Pt\n1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.601388 0.601388 0.601391 Pt\n0.200019 0.200019 0.200021 Pt\n0.799979 0.799979 0.799983 Pt\n0.398610 0.398610 0.398613 Pt\n",
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{
"id": "jvasp-101133",
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"updated_at": "2022-09-04T14:36:44.963856Z",
"structure_string": "Nd1 Fe1 Co1 Si2\n1.0\n3.735849 0.009766 -4.272595\n-0.519572 3.699555 -4.272595\n-0.008468 -0.009766 5.675523\nNd Fe Co Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.499999 Fe\n0.250000 0.749999 0.499998 Co\n0.636913 0.636913 -0.000001 Si\n0.363088 0.363087 -0.000000 Si\n",
"nsites": 5,
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"elements": [
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"volume": 78.15902153949891,
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"formula_full": "Nd1 Fe1 Co1 Si2",
"formula_reduced": "NdFeCoSi2",
"formula_anonymous": "ABCD2",
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"spacegroup": 119
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{
"id": "jvasp-101130",
"created_at": "2022-09-04T14:37:13.912921Z",
"updated_at": "2022-09-04T14:37:13.912939Z",
"structure_string": "Pr2 Zn1 As4\n1.0\n4.020151 -0.000000 0.000000\n0.000000 4.020151 0.000000\n0.000000 0.000000 10.235358\nPr Zn As\n2 1 4\ndirect\n0.500000 0.000000 0.740729 Pr\n-0.000000 0.500000 0.259271 Pr\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.000000 0.149994 As\n-0.000000 0.500000 0.850006 As\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.500000 As\n",
"nsites": 7,
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"elements": [
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"Zn",
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],
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"density": 6.493900989832248,
"density_atomic": 0.04231655172661608,
"volume": 165.41990579060274,
"volume_molar": 14.231170816813556,
"formula_full": "Pr2 Zn1 As4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 115
},
{
"id": "jvasp-10113",
"created_at": "2022-09-04T14:38:35.330046Z",
"updated_at": "2022-09-04T14:38:35.330069Z",
"structure_string": "Sm4 Sn2 S10\n1.0\n3.883157 0.000000 0.000000\n0.000000 7.807678 0.000000\n0.000000 -0.000000 11.459367\nSm Sn S\n4 2 10\ndirect\n0.500000 0.536342 0.172597 Sm\n0.500000 0.463658 0.827403 Sm\n0.500000 0.036342 0.327403 Sm\n0.500000 0.963658 0.672597 Sm\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.673569 0.407476 S\n0.500000 0.326432 0.592524 S\n0.500000 0.173568 0.092524 S\n0.500000 0.826432 0.907476 S\n0.000000 0.827642 0.196142 S\n0.000000 0.172359 0.803858 S\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.000000 0.672359 0.696142 S\n0.000000 0.327642 0.303858 S\n",
"nsites": 16,
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"elements": [
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"density": 5.5418673146915465,
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"volume": 347.4301248622607,
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"formula_full": "Sm4 Sn2 S10",
"formula_reduced": "Sm2SnS5",
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"spacegroup": 55
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{
"id": "jvasp-101129",
"created_at": "2022-09-04T14:36:43.872535Z",
"updated_at": "2022-09-04T14:36:43.872552Z",
"structure_string": "Pr3 Si3 Ni1\n1.0\n4.225064 -0.020213 -8.527138\n-0.207096 3.927891 -8.665590\n0.008244 0.020213 9.516469\nPr Si Ni\n3 3 1\ndirect\n0.000270 0.000270 -0.000000 Pr\n0.814847 0.314848 0.499999 Pr\n0.181024 0.681025 0.499998 Pr\n0.633614 0.133616 0.499999 Si\n0.360230 0.860231 0.499998 Si\n0.442410 0.442411 -0.000001 Si\n0.567597 0.567598 -0.000001 Ni\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Ni-Pr-Si",
"density": 5.909732571118465,
"density_atomic": 0.04404041839142835,
"volume": 158.94490233458862,
"volume_molar": 13.674122499190645,
"formula_full": "Pr3 Si3 Ni1",
"formula_reduced": "Pr3Si3Ni",
"formula_anonymous": "AB3C3",
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"spacegroup": 44
},
{
"id": "jvasp-101128",
"created_at": "2022-09-04T14:37:09.899346Z",
"updated_at": "2022-09-04T14:37:09.899378Z",
"structure_string": "Pr1 Mn1 Ni4\n1.0\n5.057983 -0.000000 0.000000\n-2.528992 4.380341 0.000000\n-0.000000 0.000000 3.938127\nPr Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666666 -0.000000 Mn\n0.666666 0.333333 -0.000000 Ni\n0.501801 0.003601 0.500000 Ni\n0.996398 0.498199 0.500000 Ni\n0.501801 0.498199 0.500000 Ni\n",
"nsites": 6,
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"elements": [
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"Mn",
"Ni"
],
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"density_atomic": 0.0687663933033505,
"volume": 87.25192222212506,
"volume_molar": 8.757389286703486,
"formula_full": "Pr1 Mn1 Ni4",
"formula_reduced": "PrMnNi4",
"formula_anonymous": "ABC4",
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"spacegroup": 187
},
{
"id": "jvasp-101126",
"created_at": "2022-09-04T14:36:43.792272Z",
"updated_at": "2022-09-04T14:36:43.792295Z",
"structure_string": "Pr1 Co4 Si1\n1.0\n4.923055 -0.011604 0.000000\n-2.224376 4.391896 0.000000\n0.000000 -0.000000 3.922632\nPr Co Si\n1 4 1\ndirect\n0.500000 0.500001 -0.000000 Pr\n0.159383 0.840617 -0.000000 Co\n0.840616 0.159385 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
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"elements": [
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"Co",
"Si"
],
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"density": 7.933495736458166,
"density_atomic": 0.07082812024471205,
"volume": 84.71211687208307,
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"formula_full": "Pr1 Co4 Si1",
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"formula_anonymous": "ABC4",
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"spacegroup": 65
},
{
"id": "jvasp-101125",
"created_at": "2022-09-04T14:36:43.576254Z",
"updated_at": "2022-09-04T14:36:43.576273Z",
"structure_string": "Rb1 Na1 Cd3 O4\n1.0\n5.020059 0.028824 4.601652\n3.646152 3.450710 4.601652\n0.068314 0.027428 9.164324\nRb Na Cd O\n1 1 3 4\ndirect\n0.995159 0.995158 0.003591 Rb\n0.180301 0.180302 0.451263 Na\n0.808577 0.808577 0.553497 Cd\n0.379343 0.379344 0.801740 Cd\n0.629403 0.629402 0.194414 Cd\n0.240166 0.240166 0.152907 O\n0.765712 0.765712 0.833024 O\n0.597341 0.597341 0.652693 O\n0.403995 0.403995 0.356869 O\n",
"nsites": 9,
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"elements": [
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"Na",
"Cd",
"O"
],
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"density": 5.406677902865108,
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"volume": 156.53921540707503,
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"formula_full": "Rb1 Na1 Cd3 O4",
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"formula_anonymous": "ABC3D4",
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},
{
"id": "jvasp-101124",
"created_at": "2022-09-04T14:37:06.535724Z",
"updated_at": "2022-09-04T14:37:06.535748Z",
"structure_string": "Ru1 Rh1\n1.0\n2.724144 -0.000000 0.000000\n-1.362072 2.359178 0.000000\n0.000000 -0.000000 4.333880\nRu Rh\n1 1\ndirect\n0.000000 0.000000 0.500000 Ru\n0.666666 0.333334 -0.000000 Rh\n",
"nsites": 2,
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],
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"volume": 27.852722523929852,
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"formula_full": "Ru1 Rh1",
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"spacegroup": 187
},
{
"id": "jvasp-101122",
"created_at": "2022-09-04T14:36:42.006244Z",
"updated_at": "2022-09-04T14:36:42.006257Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.700803 0.003103 -1.528420\n-0.996696 4.591905 -1.597064\n-0.004395 -0.002425 5.539664\nSi P Ir\n3 3 1\ndirect\n0.412953 0.401714 0.637594 Si\n0.594365 0.590725 0.366178 Si\n0.288854 0.841193 0.841352 Si\n0.160116 0.707786 0.154890 P\n0.845652 0.293634 0.850351 P\n0.705474 0.161029 0.148884 P\n0.998382 0.998117 0.500752 Ir\n",
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],
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"density": 5.131221606343938,
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"volume": 119.54160630930113,
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"formula_full": "Si3 P3 Ir1",
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"formula_anonymous": "AB3C3",
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"spacegroup": 1
},
{
"id": "jvasp-101121",
"created_at": "2022-09-04T14:37:04.226790Z",
"updated_at": "2022-09-04T14:37:04.226805Z",
"structure_string": "Sm2 Sb1 S1\n1.0\n4.259115 -0.000000 0.000000\n0.000000 4.259115 0.000000\n0.000000 -0.000000 6.024393\nSm Sb S\n2 1 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.500001 0.500001 -0.000000 Sm\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.500000 S\n",
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"formula_full": "Sm2 Sb1 S1",
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"formula_anonymous": "ABC2",
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}
]
}