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{
"id": "jvasp-77182",
"created_at": "2022-09-04T14:37:08.505986Z",
"updated_at": "2022-09-04T14:37:08.506010Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-12.492306 3.914293 -0.820423\n-8.949514 1.186811 2.127990\n-7.403098 5.560735 -0.550480\nCa Zn Pb\n2 1 1\ndirect\n0.750039 -0.000028 -0.000029 Ca\n0.249961 0.000029 0.000028 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000001 -0.000000 Pb\n",
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{
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"structure_string": "Ca2 Zn1 Rh1\n1.0\n-0.000000 3.514268 3.514268\n3.514268 0.000000 3.514268\n3.514268 3.514268 -0.000000\nCa Zn Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n0.250001 0.250001 0.250001 Rh\n",
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"volume": 86.80297890154371,
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"formula_full": "Ca2 Zn1 Rh1",
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{
"id": "jvasp-80964",
"created_at": "2022-09-04T14:37:13.129027Z",
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"structure_string": "Ca2 Zn1 Sn1\n1.0\n-12.292014 4.141766 -0.333312\n-8.744680 1.330016 2.432349\n-7.212050 5.664941 -0.222240\nCa Zn Sn\n2 1 1\ndirect\n0.750265 -0.000160 -0.000159 Ca\n0.249733 0.000161 0.000161 Ca\n0.000000 0.000000 0.000000 Zn\n0.499999 0.000000 0.000001 Sn\n",
"nsites": 4,
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"elements": [
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"density": 4.155047633265406,
"density_atomic": 0.037873096919006796,
"volume": 105.61586786932601,
"volume_molar": 15.900840569966064,
"formula_full": "Ca2 Zn1 Sn1",
"formula_reduced": "Ca2ZnSn",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-109929",
"created_at": "2022-09-04T14:38:20.663646Z",
"updated_at": "2022-09-04T14:38:20.663665Z",
"structure_string": "Ca2 Zn1 Sn1\n1.0\n4.595224 -0.000000 2.653054\n1.531741 4.332419 2.653054\n-0.000000 -0.000000 5.306108\nCa Zn Sn\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03786576783133469,
"volume": 105.63631029000075,
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"formula_full": "Ca2 Zn1 Sn1",
"formula_reduced": "Ca2ZnSn",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Zn",
"density": 2.5017656305186136,
"density_atomic": 0.028564628401072593,
"volume": 140.0333287671896,
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"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
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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",
"nsites": 4,
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"elements": [
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"density": 3.5975965987790777,
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"volume": 97.3790583290413,
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"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
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"spacegroup": 221
},
{
"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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"density": 2.5020906432229957,
"density_atomic": 0.028568339327073436,
"volume": 140.0151389342155,
"volume_molar": 21.079771879820058,
"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
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"spacegroup": 194
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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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"volume": 103.66899343081685,
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"formula_full": "Ca2 Zn2",
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"spacegroup": 63
},
{
"id": "jvasp-101224",
"created_at": "2022-09-04T14:36:38.783673Z",
"updated_at": "2022-09-04T14:36:38.783683Z",
"structure_string": "Ca2 Zn2 Ag2\n1.0\n4.592053 0.044011 3.596681\n2.271060 3.991388 3.596681\n0.038196 0.022459 7.295877\nCa Zn Ag\n2 2 2\ndirect\n0.452243 0.452243 0.301174 Ca\n0.547757 0.547758 0.698826 Ca\n0.158218 0.158217 0.893209 Zn\n0.841782 0.841783 0.106791 Zn\n0.829127 0.829128 0.727846 Ag\n0.170873 0.170873 0.272154 Ag\n",
"nsites": 6,
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"elements": [
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"Zn",
"Ag"
],
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"density": 5.357207086481835,
"density_atomic": 0.04536358406040083,
"volume": 132.26468155626998,
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"formula_full": "Ca2 Zn2 Ag2",
"formula_reduced": "CaZnAg",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-57781",
"created_at": "2022-09-04T14:37:19.318090Z",
"updated_at": "2022-09-04T14:37:19.318123Z",
"structure_string": "Ca2 Zn2 F8\n1.0\n-5.303908 0.000189 -0.000599\n-0.000647 -5.304103 -0.000672\n2.651638 2.651266 5.540524\nCa Zn F\n2 2 8\ndirect\n0.624991 0.374989 0.749984 Ca\n0.375009 0.625009 0.250015 Ca\n0.125032 0.875019 0.750053 Zn\n0.874968 0.124980 0.249946 Zn\n0.392861 0.226081 0.928003 F\n0.226076 0.035198 0.427976 F\n0.701900 0.392786 0.427981 F\n0.035147 0.701907 0.927993 F\n0.964854 0.298091 0.072006 F\n0.298100 0.607212 0.572018 F\n0.773924 0.964800 0.572023 F\n0.607139 0.773917 0.071997 F\n",
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"elements": [
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"volume": 155.85077621429488,
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"formula_full": "Ca2 Zn2 F8",
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},
{
"id": "jvasp-17384",
"created_at": "2022-09-04T14:38:32.009586Z",
"updated_at": "2022-09-04T14:38:32.009612Z",
"structure_string": "Ca2 Zn2 Ge2\n1.0\n2.149258 -3.722624 -0.000000\n2.149258 3.722624 0.000000\n0.000000 -0.000000 8.180051\nCa Zn Ge\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666667 0.250000 Zn\n0.666667 0.333334 0.750000 Zn\n0.333334 0.666667 0.750000 Ge\n0.666667 0.333334 0.250000 Ge\n",
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"formula_full": "Ca2 Zn2 Ge2",
"formula_reduced": "CaZnGe",
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"spacegroup": 194
},
{
"id": "jvasp-93751",
"created_at": "2022-09-04T14:36:05.918498Z",
"updated_at": "2022-09-04T14:36:05.918524Z",
"structure_string": "Ca2 Zn2 Pb2\n1.0\n-2.375960 -4.114929 -0.000000\n-2.375960 4.114929 0.000000\n0.000000 0.000000 -7.879861\nCa Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666660 0.333340 0.250000 Zn\n0.333340 0.666660 0.750000 Zn\n0.666678 0.333322 0.750000 Pb\n0.333322 0.666678 0.250000 Pb\n",
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}
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