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{
"id": "jvasp-78307",
"created_at": "2022-09-04T14:37:09.037226Z",
"updated_at": "2022-09-04T14:37:09.037235Z",
"structure_string": "Ca1 Zn1\n1.0\n3.964813 -0.000000 -0.000000\n-1.982407 3.433627 0.000000\n-0.000000 -0.000000 4.110144\nCa Zn\n1 1\ndirect\n0.333333 0.666668 0.000000 Ca\n0.000000 0.000000 0.499999 Zn\n",
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"formula_full": "Ca1 Zn1",
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{
"id": "jvasp-80533",
"created_at": "2022-09-04T14:37:14.685769Z",
"updated_at": "2022-09-04T14:37:14.685796Z",
"structure_string": "Ca1 Zn3\n1.0\n4.328115 -0.000000 0.000000\n-0.000000 4.328115 0.000000\n0.000000 -0.000000 4.328115\nCa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.000000 Zn\n0.499999 0.000000 0.499999 Zn\n0.000000 0.499999 0.499999 Zn\n",
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"formula_full": "Ca1 Zn3",
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{
"id": "jvasp-93218",
"created_at": "2022-09-04T14:36:09.133783Z",
"updated_at": "2022-09-04T14:36:09.133810Z",
"structure_string": "Ca3 Zn3\n1.0\n4.282177 0.000000 -0.000000\n-2.141087 3.708475 0.000000\n-0.000000 0.000000 10.783621\nCa Zn\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.333333 Ca\n0.333333 0.666668 0.666667 Ca\n0.333333 0.666668 0.166667 Zn\n0.000000 -0.000000 0.500000 Zn\n0.666667 0.333333 0.833333 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Zn",
"density": 3.068631279469757,
"density_atomic": 0.03503697993476348,
"volume": 171.24763638794212,
"volume_molar": 17.18795618575809,
"formula_full": "Ca3 Zn3",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.4340536363636363,
"spacegroup": 225
},
{
"id": "jvasp-94789",
"created_at": "2022-09-04T14:36:13.070443Z",
"updated_at": "2022-09-04T14:36:13.070477Z",
"structure_string": "Ca4 Zn4\n1.0\n6.714297 0.000000 0.000000\n0.000000 6.714297 -0.000000\n0.000000 -0.000000 6.714297\nCa Zn\n4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.250000 0.250000 0.750000 Zn\n0.250000 0.750000 0.250000 Zn\n0.750000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Zn"
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"chemical_system": "Ca-Zn",
"density": 2.31476222516054,
"density_atomic": 0.026429463252656514,
"volume": 302.6924884369679,
"volume_molar": 22.785709654526162,
"formula_full": "Ca4 Zn4",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.6554636363636364,
"spacegroup": 216
},
{
"id": "jvasp-93924",
"created_at": "2022-09-04T14:36:06.117011Z",
"updated_at": "2022-09-04T14:36:06.117032Z",
"structure_string": "Ca3 Zn3\n1.0\n5.164008 0.000000 -0.000000\n-2.582003 4.472162 0.000000\n0.000000 -0.000000 6.326365\nCa Zn\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Zn\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.833332 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.5967530050861733,
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"volume": 146.10284687666854,
"volume_molar": 14.664198488800405,
"formula_full": "Ca3 Zn3",
"formula_reduced": "CaZn",
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"energy_above_hull": 0.3486186363636364,
"spacegroup": 221
},
{
"id": "jvasp-94257",
"created_at": "2022-09-04T14:36:09.329511Z",
"updated_at": "2022-09-04T14:36:09.329536Z",
"structure_string": "Ca2 Zn6\n1.0\n6.457317 -0.000000 0.000000\n-3.228659 5.592200 -0.000000\n-0.000000 0.000000 4.434897\nCa Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750001 Ca\n0.143739 0.287478 0.250000 Zn\n0.712522 0.856261 0.250000 Zn\n0.143739 0.856261 0.250000 Zn\n0.287478 0.143739 0.750001 Zn\n0.856261 0.143739 0.750001 Zn\n0.856261 0.712522 0.750001 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 4.900424065653691,
"density_atomic": 0.049954158426197305,
"volume": 160.1468276523819,
"volume_molar": 12.055334229876301,
"formula_full": "Ca2 Zn6",
"formula_reduced": "CaZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.127090909090909,
"spacegroup": 194
},
{
"id": "jvasp-20805",
"created_at": "2022-09-04T14:37:55.463123Z",
"updated_at": "2022-09-04T14:37:55.463147Z",
"structure_string": "Ca10 Zn6\n1.0\n7.076486 -0.000000 -3.249124\n-1.491815 6.917453 -3.249124\n0.028042 0.034735 9.391816\nCa Zn\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000001 Ca\n0.318146 0.818145 0.295338 Ca\n0.477193 0.318145 0.295338 Ca\n0.818146 0.977192 0.295339 Ca\n0.522808 0.681854 0.704663 Ca\n0.181855 0.022807 0.704662 Ca\n0.022807 0.522807 0.704663 Ca\n0.681855 0.181854 0.704663 Ca\n0.977193 0.477192 0.295339 Ca\n0.250000 0.250000 0.500000 Zn\n0.750001 0.749999 0.500001 Zn\n0.381455 0.881454 0.000001 Zn\n0.118546 0.381454 0.000000 Zn\n0.881455 0.618546 0.000001 Zn\n0.618546 0.118546 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Zn"
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"chemical_system": "Ca-Zn",
"density": 2.8551618454444343,
"density_atomic": 0.034681693486239236,
"volume": 461.3384870132818,
"volume_molar": 17.364033167496345,
"formula_full": "Ca10 Zn6",
"formula_reduced": "Ca5Zn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
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{
"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",
"nsites": 4,
"nelements": 2,
"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-80514",
"created_at": "2022-09-04T14:36:48.849326Z",
"updated_at": "2022-09-04T14:36:48.849345Z",
"structure_string": "Ca2 Zn2\n1.0\n5.135457 -0.000000 0.000000\n-2.567728 4.447436 -0.000000\n0.000000 -0.000000 6.130363\nCa Zn\n2 2\ndirect\n0.333333 0.666668 0.062513 Ca\n0.666667 0.333333 0.562513 Ca\n0.333333 0.666668 0.562487 Zn\n0.666667 0.333333 0.062487 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Zn",
"density": 2.5020906432229957,
"density_atomic": 0.028568339327073436,
"volume": 140.0151389342155,
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"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5714336363636364,
"spacegroup": 194
},
{
"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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"formula_full": "Ca1 Zn5",
"formula_reduced": "CaZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"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,
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"elements": [
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"density": 4.745508916130786,
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"volume": 239.19835730246695,
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"formula_full": "Ca4 Zn8",
"formula_reduced": "CaZn2",
"formula_anonymous": "AB2",
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"spacegroup": 194
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{
"id": "jvasp-91922",
"created_at": "2022-09-04T14:36:18.016701Z",
"updated_at": "2022-09-04T14:36:18.016737Z",
"structure_string": "Ca4 Zn4\n1.0\n6.113255 -0.000000 0.000000\n0.000000 6.113255 -0.000000\n-0.000000 0.000000 6.113255\nCa Zn\n4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n",
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"elements": [
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"volume": 228.46387319779504,
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"formula_full": "Ca4 Zn4",
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"spacegroup": 225
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