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"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",
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{
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"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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{
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"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,
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"elements": [
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"volume": 302.6924884369679,
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"formula_full": "Ca4 Zn4",
"formula_reduced": "CaZn",
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"spacegroup": 216
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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,
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"elements": [
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"density": 3.379318708931618,
"density_atomic": 0.03858434299035985,
"volume": 103.66899343081685,
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"formula_full": "Ca2 Zn2",
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"spacegroup": 63
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{
"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_atomic": 0.049954158426197305,
"volume": 160.1468276523819,
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"formula_full": "Ca2 Zn6",
"formula_reduced": "CaZn3",
"formula_anonymous": "AB3",
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"spacegroup": 194
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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",
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{
"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",
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"spacegroup": 221
},
{
"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",
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"elements": [
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"density": 2.8551618454444343,
"density_atomic": 0.034681693486239236,
"volume": 461.3384870132818,
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"formula_full": "Ca10 Zn6",
"formula_reduced": "Ca5Zn3",
"formula_anonymous": "A3B5",
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"spacegroup": 140
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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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"formula_full": "Ca2 Zn2",
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{
"id": "jvasp-8715",
"created_at": "2022-09-04T14:37:10.376688Z",
"updated_at": "2022-09-04T14:37:10.376704Z",
"structure_string": "Ca6 Zn2\n1.0\n4.038928 0.000000 0.000000\n-2.019464 6.601962 0.000000\n0.000000 0.000000 9.958762\nCa Zn\n6 2\ndirect\n0.432033 0.864065 0.750000 Ca\n0.567968 0.135935 0.250000 Ca\n0.142413 0.284826 0.938145 Ca\n0.857588 0.715174 0.061855 Ca\n0.857588 0.715174 0.438145 Ca\n0.142413 0.284826 0.561855 Ca\n0.755468 0.510935 0.750000 Zn\n0.244533 0.489065 0.250000 Zn\n",
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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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{
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"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",
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"formula_full": "Ca1 Zn1",
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