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{
"id": "jvasp-99574",
"created_at": "2022-09-04T14:36:22.351146Z",
"updated_at": "2022-09-04T14:36:22.351164Z",
"structure_string": "Rb1 P2 Ir2\n1.0\n3.786906 -0.046780 -6.285518\n-0.332582 3.772563 -6.285518\n0.043372 0.046780 7.338018\nRb P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.345634 0.345633 0.000000 P\n0.654368 0.654366 0.000000 P\n0.750001 0.250000 0.500000 Ir\n0.250000 0.749999 0.500000 Ir\n",
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{
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"structure_string": "Cr2 Ir2 C1\n1.0\n2.720102 0.001379 8.552477\n1.328441 2.373647 8.552477\n0.002350 0.001379 8.974620\nCr Ir C\n2 2 1\ndirect\n0.377035 0.377037 0.377037 Cr\n0.622962 0.622965 0.622964 Cr\n0.878500 0.878504 0.878503 Ir\n0.121497 0.121498 0.121498 Ir\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Sr2 Pd1 N2\n1.0\n3.675546 -0.000440 -1.039874\n-0.293752 3.663789 -1.039874\n0.005703 0.006178 7.035910\nSr Pd N\n2 1 2\ndirect\n0.149988 0.649989 0.799977 Sr\n0.850013 0.350012 0.200024 Sr\n0.500000 0.000000 0.500000 Pd\n0.648826 0.148826 0.797652 N\n0.351175 0.851175 0.202349 N\n",
"nsites": 5,
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"elements": [
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"density": 5.424605246606982,
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},
{
"id": "jvasp-100134",
"created_at": "2022-09-04T14:36:34.645133Z",
"updated_at": "2022-09-04T14:36:34.645165Z",
"structure_string": "Li2 Bi1 S2\n1.0\n3.837314 0.002075 -6.228799\n-0.265026 3.848912 -6.215992\n-0.050664 -0.002075 7.315761\nLi Bi S\n2 1 2\ndirect\n0.256905 0.256906 -0.000000 Li\n0.743093 0.743095 -0.000001 Li\n0.000000 0.000000 0.000000 Bi\n0.851244 0.351245 0.500000 S\n0.148755 0.648755 0.499999 S\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Bi-Li-S",
"density": 4.462728929401692,
"density_atomic": 0.04682211409756596,
"volume": 106.78714740605709,
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"formula_full": "Li2 Bi1 S2",
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"spacegroup": 71
},
{
"id": "jvasp-2757",
"created_at": "2022-09-04T14:36:36.645471Z",
"updated_at": "2022-09-04T14:36:36.645497Z",
"structure_string": "Ba1 Mg2 P2\n1.0\n2.188279 -3.790210 0.000000\n2.188279 3.790210 0.000000\n0.000000 0.000000 7.607476\nBa Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.376574 Mg\n0.333333 0.666667 0.623427 Mg\n0.666667 0.333333 0.723233 P\n0.333333 0.666667 0.276768 P\n",
"nsites": 5,
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"elements": [
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"Mg",
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"density_atomic": 0.0396217316264275,
"volume": 126.19337405902331,
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"formula_full": "Ba1 Mg2 P2",
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"spacegroup": 164
},
{
"id": "jvasp-92628",
"created_at": "2022-09-04T14:36:21.954713Z",
"updated_at": "2022-09-04T14:36:21.954729Z",
"structure_string": "Ca1 Fe2 As2\n1.0\n3.972816 0.000000 -0.000000\n0.000000 3.972816 0.000000\n-1.986408 -1.986408 5.247653\nCa Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.637905 0.637905 0.275808 As\n0.362096 0.362096 0.724191 As\n",
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"elements": [
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{
"id": "jvasp-97824",
"created_at": "2022-09-04T14:36:16.289796Z",
"updated_at": "2022-09-04T14:36:16.289825Z",
"structure_string": "S16 N16 Cl8\n1.0\n6.470610 0.000000 0.000000\n0.000000 8.805918 -3.386086\n0.000000 -0.818129 13.193244\nS N Cl\n16 16 8\ndirect\n0.374184 0.046525 0.715468 S\n0.192986 0.326371 0.566731 S\n0.739189 0.637780 0.212247 S\n0.807014 0.673629 0.433268 S\n0.125816 0.046525 0.215468 S\n0.307014 0.326371 0.066731 S\n0.065427 0.733644 0.846964 S\n0.692986 0.673629 0.933268 S\n0.760811 0.637780 0.712247 S\n0.239189 0.362220 0.287753 S\n0.874184 0.953475 0.784531 S\n0.434573 0.733645 0.346964 S\n0.934573 0.266356 0.153035 S\n0.565427 0.266356 0.653035 S\n0.260811 0.362220 0.787753 S\n0.625816 0.953475 0.284531 S\n0.259178 0.200796 0.802295 N\n0.583607 0.748269 0.450616 N\n0.416393 0.251731 0.549383 N\n0.392968 0.352058 0.186385 N\n0.107032 0.352058 0.686385 N\n0.240822 0.200796 0.302295 N\n0.740822 0.799204 0.197705 N\n0.067580 0.896560 0.834087 N\n0.567579 0.103440 0.665913 N\n0.432420 0.896560 0.334087 N\n0.916393 0.748269 0.950616 N\n0.932420 0.103440 0.165913 N\n0.759178 0.799204 0.697704 N\n0.083607 0.251731 0.049383 N\n0.607032 0.647942 0.813615 N\n0.892968 0.647942 0.313615 N\n0.853298 0.050483 0.424263 Cl\n0.353298 0.949517 0.075737 Cl\n0.252128 0.584809 0.588266 Cl\n0.247872 0.584809 0.088266 Cl\n0.146702 0.949517 0.575736 Cl\n0.646702 0.050483 0.924263 Cl\n0.747872 0.415191 0.411733 Cl\n0.752128 0.415191 0.911733 Cl\n",
"nsites": 40,
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"elements": [
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"N",
"Cl"
],
"chemical_system": "Cl-N-S",
"density": 2.3098680624695276,
"density_atomic": 0.054509181348482746,
"volume": 733.8213308373855,
"volume_molar": 11.047938367483162,
"formula_full": "S16 N16 Cl8",
"formula_reduced": "S2N2Cl",
"formula_anonymous": "AB2C2",
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"spacegroup": 14
},
{
"id": "jvasp-91317",
"created_at": "2022-09-04T14:36:21.698303Z",
"updated_at": "2022-09-04T14:36:21.698328Z",
"structure_string": "Ce2 Bi1 O2\n1.0\n3.871197 0.000000 -1.090819\n-0.307369 3.858975 -1.090819\n-0.099654 -0.107907 7.060977\nCe Bi O\n2 1 2\ndirect\n0.657067 0.657066 0.314132 Ce\n0.342935 0.342934 0.685868 Ce\n0.000000 0.000000 0.000000 Bi\n0.250001 0.750000 0.500000 O\n0.750001 0.250000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density": 8.276548294095344,
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"volume": 104.57155915672298,
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"formula_full": "Ce2 Bi1 O2",
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"spacegroup": 139
},
{
"id": "jvasp-15232",
"created_at": "2022-09-04T14:36:22.240339Z",
"updated_at": "2022-09-04T14:36:22.240364Z",
"structure_string": "Ce1 Si2 Ru2\n1.0\n3.916895 -0.000000 -1.543118\n-0.607934 3.869429 -1.543118\n-0.023096 -0.027008 5.684058\nCe Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.631520 0.631521 0.263042 Si\n0.368479 0.368479 0.736957 Si\n0.749999 0.250000 0.499999 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
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],
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"volume": 85.82193413187026,
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{
"id": "jvasp-15163",
"created_at": "2022-09-04T14:36:39.952594Z",
"updated_at": "2022-09-04T14:36:39.952614Z",
"structure_string": "Sr1 Ni2 Ge2\n1.0\n3.921470 0.000000 -1.483996\n-0.561587 3.881050 -1.483996\n0.008426 0.009733 5.945519\nSr Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.640535 0.640535 0.281069 Ge\n0.359465 0.359464 0.718930 Ge\n",
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{
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"created_at": "2022-09-04T14:36:30.732804Z",
"updated_at": "2022-09-04T14:36:30.732830Z",
"structure_string": "Er1 Fe2 Ge2\n1.0\n3.765027 0.000000 -1.329583\n-0.469529 3.735635 -1.329583\n-0.102525 -0.116218 5.705247\nEr Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.249999 0.749999 0.500000 Fe\n0.750000 0.249999 0.500001 Fe\n0.629888 0.629888 0.259779 Ge\n0.370111 0.370111 0.740222 Ge\n",
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},
{
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"created_at": "2022-09-04T14:36:35.157555Z",
"updated_at": "2022-09-04T14:36:35.157581Z",
"structure_string": "Pr1 Co2 B2\n1.0\n3.399605 -0.000000 -1.158199\n-0.394583 3.376627 -1.158199\n0.026868 0.030191 5.647312\nPr Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250001 0.750000 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.664290 0.664291 0.328582 B\n0.335710 0.335710 0.671418 B\n",
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}