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{
"id": "jvasp-106628",
"created_at": "2022-09-04T14:36:58.060059Z",
"updated_at": "2022-09-04T14:36:58.060076Z",
"structure_string": "Zn6 Au2\n1.0\n5.664818 -0.000000 0.000000\n-2.832409 4.905877 0.000000\n-0.000000 -0.000000 4.464377\nZn Au\n6 2\ndirect\n0.165086 0.330173 0.250000 Zn\n0.669827 0.834914 0.250000 Zn\n0.165086 0.834914 0.250000 Zn\n0.834914 0.669827 0.750000 Zn\n0.330173 0.165086 0.750000 Zn\n0.834914 0.165086 0.750000 Zn\n0.333333 0.666667 0.750000 Au\n0.666667 0.333334 0.250000 Au\n",
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{
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"structure_string": "Sm1 Rh3 C1\n1.0\n4.204436 0.000000 0.000000\n0.000000 4.204436 0.000000\n-0.000000 0.000000 4.204436\nSm Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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{
"id": "jvasp-51205",
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"updated_at": "2022-09-04T14:36:54.191917Z",
"structure_string": "Bi1 Te1 Ir1\n1.0\n-0.000000 3.468094 3.468094\n3.468094 -0.000000 3.468094\n3.468094 3.468094 0.000000\nBi Te Ir\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.499999 0.499999 0.499999 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"density_atomic": 0.03595991682300164,
"volume": 83.42622188939714,
"volume_molar": 16.746815043098092,
"formula_full": "Bi1 Te1 Ir1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-52110",
"created_at": "2022-09-04T14:38:33.550920Z",
"updated_at": "2022-09-04T14:38:33.550938Z",
"structure_string": "Ga3 Pd7\n1.0\n3.935870 0.000000 -1.174022\n-0.412065 5.339164 -1.381433\n-0.006084 0.002200 7.164060\nGa Pd\n3 7\ndirect\n0.000000 0.000000 0.000000 Ga\n0.808916 0.335654 0.617830 Ga\n0.191086 0.664345 0.382171 Ga\n0.000001 0.500000 0.000000 Pd\n0.794336 0.862523 0.588669 Pd\n0.205666 0.137476 0.411332 Pd\n0.626478 0.387521 0.252955 Pd\n0.373524 0.612478 0.747046 Pd\n0.581266 0.856182 0.162530 Pd\n0.418736 0.143817 0.837471 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ga-Pd",
"density": 10.525586690055306,
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"volume": 150.52227632988453,
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"formula_full": "Ga3 Pd7",
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"spacegroup": 12
},
{
"id": "jvasp-34170",
"created_at": "2022-09-04T14:37:27.514751Z",
"updated_at": "2022-09-04T14:37:27.514771Z",
"structure_string": "Ga3 Pd7\n1.0\n3.935744 0.000000 -1.173984\n-0.412073 5.339144 -1.381460\n-0.005975 0.002206 7.164194\nGa Pd\n3 7\ndirect\n0.000000 0.000000 0.000000 Ga\n0.808920 0.335688 0.617840 Ga\n0.191081 0.664312 0.382160 Ga\n0.000000 0.500000 -0.000000 Pd\n0.794334 0.862553 0.588667 Pd\n0.205667 0.137447 0.411333 Pd\n0.626469 0.387493 0.252939 Pd\n0.373532 0.612507 0.747061 Pd\n0.581266 0.856172 0.162530 Pd\n0.418735 0.143828 0.837470 Pd\n",
"nsites": 10,
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"formula_full": "Ga3 Pd7",
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"spacegroup": 12
},
{
"id": "jvasp-16689",
"created_at": "2022-09-04T14:38:28.509886Z",
"updated_at": "2022-09-04T14:38:28.509908Z",
"structure_string": "Tm3 Sn3 Rh3\n1.0\n3.779614 -6.546483 -0.000000\n3.779614 6.546483 -0.000000\n0.000000 0.000000 3.735054\nTm Sn Rh\n3 3 3\ndirect\n0.597350 0.597350 0.000000 Tm\n0.402649 -0.000000 0.000000 Tm\n-0.000000 0.402649 0.000000 Tm\n0.733913 -0.000000 0.500000 Sn\n0.266086 0.266086 0.500000 Sn\n-0.000000 0.733913 0.500000 Sn\n0.666666 0.333333 0.500000 Rh\n0.333333 0.666666 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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"density": 10.526022589412877,
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"volume": 184.83421788109828,
"volume_molar": 12.367751970494254,
"formula_full": "Tm3 Sn3 Rh3",
"formula_reduced": "TmSnRh",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-15893",
"created_at": "2022-09-04T14:38:30.072300Z",
"updated_at": "2022-09-04T14:38:30.072311Z",
"structure_string": "Tm1 B1 Pd3\n1.0\n4.285773 0.000000 0.000000\n0.000000 4.285773 0.000000\n0.000000 0.000000 4.285773\nTm B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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],
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"volume": 78.72043648747218,
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"formula_full": "Tm1 B1 Pd3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-75583",
"created_at": "2022-09-04T14:35:45.679803Z",
"updated_at": "2022-09-04T14:35:45.679835Z",
"structure_string": "Zn2 Re1 As1\n1.0\n-0.000000 3.138503 3.138503\n3.138503 0.000000 3.138503\n3.138503 3.138503 0.000000\nZn Re As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 Zn\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.06469375378169041,
"volume": 61.82977128669998,
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"formula_full": "Zn2 Re1 As1",
"formula_reduced": "Zn2ReAs",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-89024",
"created_at": "2022-09-04T14:35:55.529833Z",
"updated_at": "2022-09-04T14:35:55.529861Z",
"structure_string": "Ga4 As2 Rh10\n1.0\n4.049572 0.000000 0.000000\n0.000000 5.517817 -0.000000\n0.000000 0.000000 10.291493\nGa As Rh\n4 2 10\ndirect\n0.500000 0.388154 0.349984 Ga\n0.500000 0.611847 0.650015 Ga\n0.500000 0.111846 0.849984 Ga\n0.500000 0.888154 0.150015 Ga\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.000000 As\n0.500000 0.332132 0.103635 Rh\n0.500000 0.667869 0.896365 Rh\n0.500000 0.832132 0.396365 Rh\n0.500000 0.167869 0.603634 Rh\n0.000000 0.861152 0.724624 Rh\n0.000000 0.138849 0.275376 Rh\n0.000000 0.361152 0.775376 Rh\n0.000000 0.638849 0.224624 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 16,
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"elements": [
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"density": 10.526629146060145,
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"formula_full": "Ga4 As2 Rh10",
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"spacegroup": 55
},
{
"id": "jvasp-100248",
"created_at": "2022-09-04T14:36:51.459860Z",
"updated_at": "2022-09-04T14:36:51.459889Z",
"structure_string": "Tm2 Ga1 Ru1\n1.0\n4.192711 -0.000000 2.420663\n1.397571 3.952926 2.420663\n-0.000000 -0.000000 4.841326\nTm Ga Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750001 0.750000 Tm\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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},
{
"id": "jvasp-103655",
"created_at": "2022-09-04T14:36:38.593495Z",
"updated_at": "2022-09-04T14:36:38.593513Z",
"structure_string": "Fe1 Sb1 Rh2\n1.0\n3.648900 -0.000499 -2.912628\n-0.845546 3.549581 -2.912628\n0.000394 0.000499 4.668819\nFe Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500000 -0.000001 Sb\n0.749999 0.250000 0.499999 Rh\n0.249999 0.750000 0.499999 Rh\n",
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},
{
"id": "jvasp-86362",
"created_at": "2022-09-04T14:36:05.928841Z",
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"structure_string": "Eu2 Pd4\n1.0\n4.728291 0.000000 2.729880\n1.576096 4.457875 2.729880\n-0.000000 -0.000000 5.459760\nEu Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Eu\n0.875000 0.875001 0.874999 Eu\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500001 0.500000 Pd\n0.500000 0.500001 0.500000 Pd\n0.500000 0.500001 -0.000000 Pd\n",
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