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{
"id": "jvasp-109776",
"created_at": "2022-09-04T14:38:20.439565Z",
"updated_at": "2022-09-04T14:38:20.439592Z",
"structure_string": "Cd1 Ag1\n1.0\n3.043812 0.507794 0.000000\n-0.544641 3.037435 0.000000\n0.000000 0.000000 4.031926\nCd Ag\n1 1\ndirect\n0.500000 0.499999 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"formula_full": "Cd1 Ag1",
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{
"id": "jvasp-39834",
"created_at": "2022-09-04T14:37:34.722260Z",
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"structure_string": "Cd2 Ag6\n1.0\n2.952490 -5.113863 0.000000\n2.952490 5.113863 -0.000000\n0.000000 0.000000 4.841673\nCd Ag\n2 6\ndirect\n0.666667 0.333333 0.750000 Cd\n0.333333 0.666667 0.250000 Cd\n0.834792 0.165208 0.250000 Ag\n0.834793 0.669586 0.250000 Ag\n0.330414 0.165208 0.250000 Ag\n0.165208 0.834792 0.750000 Ag\n0.165208 0.330414 0.750000 Ag\n0.669586 0.834793 0.750000 Ag\n",
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"volume": 146.20525230452986,
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{
"id": "jvasp-101222",
"created_at": "2022-09-04T14:36:51.208630Z",
"updated_at": "2022-09-04T14:36:51.208662Z",
"structure_string": "Cd3 Ag1\n1.0\n3.149810 -0.000000 0.000000\n-1.574905 2.727816 0.000000\n-0.000000 -0.000000 9.656256\nCd Ag\n3 1\ndirect\n0.333335 0.666668 0.500000 Cd\n0.000000 0.000000 0.237997 Cd\n0.000000 0.000000 0.762003 Cd\n0.333335 0.666668 -0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ag-Cd",
"density": 8.908399026522405,
"density_atomic": 0.04821162729060661,
"volume": 82.96753760019519,
"volume_molar": 12.4910547484742,
"formula_full": "Cd3 Ag1",
"formula_reduced": "Cd3Ag",
"formula_anonymous": "AB3",
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"spacegroup": 187
},
{
"id": "jvasp-106372",
"created_at": "2022-09-04T14:38:40.227804Z",
"updated_at": "2022-09-04T14:38:40.227834Z",
"structure_string": "Cd1 Ag1\n1.0\n2.894306 -0.009336 4.218387\n1.301145 2.585365 4.218387\n-0.015205 -0.009336 5.115815\nCd Ag\n1 1\ndirect\n0.500001 0.499999 0.500001 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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"elements": [
"Cd",
"Ag"
],
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"density": 9.483071411448753,
"density_atomic": 0.051850915471466856,
"volume": 38.57212513635529,
"volume_molar": 11.614338349173288,
"formula_full": "Cd1 Ag1",
"formula_reduced": "CdAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.35632125,
"spacegroup": 166
},
{
"id": "jvasp-123380",
"created_at": "2022-09-04T14:38:54.354064Z",
"updated_at": "2022-09-04T14:38:54.354095Z",
"structure_string": "Ca1 Zr1\n1.0\n1.653644 -2.864193 0.000000\n1.653644 2.864193 0.000000\n0.000000 0.000000 5.821193\nCa Zr\n1 1\ndirect\n0.666665 0.333332 0.250000 Ca\n0.333332 0.666665 0.750000 Zr\n",
"nsites": 2,
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"elements": [
"Ca",
"Zr"
],
"chemical_system": "Ca-Zr",
"density": 3.9539770686480313,
"density_atomic": 0.03626967826451895,
"volume": 55.14247977094721,
"volume_molar": 16.603788751804835,
"formula_full": "Ca1 Zr1",
"formula_reduced": "CaZr",
"formula_anonymous": "AB",
"energy_above_hull": 1.45507246,
"spacegroup": 187
},
{
"id": "jvasp-78315",
"created_at": "2022-09-04T14:37:13.894545Z",
"updated_at": "2022-09-04T14:37:13.894567Z",
"structure_string": "Ca1 Zn1\n1.0\n3.652294 -0.000000 0.000000\n-0.000000 3.652294 0.000000\n-0.000000 -0.000000 3.652294\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.595430095545668,
"density_atomic": 0.04105185688397393,
"volume": 48.718868080746226,
"volume_molar": 14.66959406250624,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3486136363636364,
"spacegroup": 221
},
{
"id": "jvasp-19953",
"created_at": "2022-09-04T14:37:36.075517Z",
"updated_at": "2022-09-04T14:37:36.075545Z",
"structure_string": "Ca1 Zn5\n1.0\n2.694135 -4.666379 -0.000000\n2.694135 4.666379 0.000000\n0.000000 0.000000 4.235775\nCa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.499999 Zn\n0.500000 0.000000 0.499999 Zn\n0.500001 0.500001 0.499999 Zn\n0.333334 0.666668 0.000000 Zn\n0.666668 0.333334 0.000000 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
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"density": 5.723984508698954,
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"volume": 106.50309811651766,
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"formula_full": "Ca1 Zn5",
"formula_reduced": "CaZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-18646",
"created_at": "2022-09-04T14:36:57.230955Z",
"updated_at": "2022-09-04T14:36:57.230963Z",
"structure_string": "Ca2 Zn2\n1.0\n3.893749 -0.000000 -1.409262\n0.000000 4.433219 -0.000000\n-0.024997 0.000000 6.014721\nCa Zn\n2 2\ndirect\n0.854467 0.250000 0.708935 Ca\n0.145532 0.750000 0.291065 Ca\n0.567081 0.250000 0.134161 Zn\n0.432919 0.750000 0.865839 Zn\n",
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"elements": [
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"density": 3.379318708931618,
"density_atomic": 0.03858434299035985,
"volume": 103.66899343081685,
"volume_molar": 15.60773177219736,
"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3548186363636364,
"spacegroup": 63
},
{
"id": "jvasp-88947",
"created_at": "2022-09-04T14:35:41.399646Z",
"updated_at": "2022-09-04T14:35:41.399673Z",
"structure_string": "Ca4 Zn8\n1.0\n5.587134 0.000000 0.000000\n-2.793568 4.838600 -0.000000\n-0.000000 -0.000000 8.848087\nCa Zn\n4 8\ndirect\n0.333332 0.666667 0.058431 Ca\n0.666666 0.333333 0.558432 Ca\n0.666666 0.333333 0.941569 Ca\n0.333332 0.666667 0.441569 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.832503 0.665007 0.250000 Zn\n0.167496 0.832504 0.750000 Zn\n0.665007 0.832504 0.750000 Zn\n0.334992 0.167496 0.250000 Zn\n0.832503 0.167496 0.250000 Zn\n0.167496 0.334993 0.750000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Zn"
],
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"density": 4.745508916130786,
"density_atomic": 0.05016756860426917,
"volume": 239.19835730246695,
"volume_molar": 12.00405147696858,
"formula_full": "Ca4 Zn8",
"formula_reduced": "CaZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2090134848484848,
"spacegroup": 194
},
{
"id": "jvasp-92163",
"created_at": "2022-09-04T14:35:50.847513Z",
"updated_at": "2022-09-04T14:35:50.847531Z",
"structure_string": "Ca6 Zn2\n1.0\n7.114953 -0.000000 0.000000\n-3.557476 6.161730 -0.000000\n-0.000000 0.000000 5.628555\nCa Zn\n6 2\ndirect\n0.653813 0.826908 0.750001 Ca\n0.173092 0.346186 0.750001 Ca\n0.173092 0.826908 0.750001 Ca\n0.826907 0.653814 0.250000 Ca\n0.826907 0.173092 0.250000 Ca\n0.346186 0.173092 0.250000 Ca\n0.666667 0.333333 0.750001 Zn\n0.333332 0.666667 0.250000 Zn\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.4985385656102985,
"density_atomic": 0.032420400320170385,
"volume": 246.75821152716586,
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"formula_full": "Ca6 Zn2",
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"spacegroup": 194
},
{
"id": "jvasp-78799",
"created_at": "2022-09-04T14:37:15.837702Z",
"updated_at": "2022-09-04T14:37:15.837720Z",
"structure_string": "Ca2 Zn2\n1.0\n5.158484 0.000000 -0.000000\n0.000000 3.659087 0.000000\n0.000000 0.000000 5.159062\nCa Zn\n2 2\ndirect\n0.749999 0.000000 0.250001 Ca\n0.250000 0.000000 0.749999 Ca\n0.250000 0.500000 0.249900 Zn\n0.749999 0.500000 0.750100 Zn\n",
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{
"id": "jvasp-79482",
"created_at": "2022-09-04T14:37:11.479564Z",
"updated_at": "2022-09-04T14:37:11.479583Z",
"structure_string": "Ca2 Zn2\n1.0\n5.135146 0.000000 0.000000\n-2.567573 4.447166 0.000000\n-0.000000 0.000000 6.131903\nCa Zn\n2 2\ndirect\n0.333334 0.666668 0.062499 Ca\n0.666668 0.333333 0.562499 Ca\n0.333334 0.666668 0.562501 Zn\n0.666668 0.333333 0.062501 Zn\n",
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]
}