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{
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{
"id": "jvasp-79323",
"created_at": "2022-09-04T14:36:44.712943Z",
"updated_at": "2022-09-04T14:36:44.712980Z",
"structure_string": "Pa3 Ge1\n1.0\n4.520768 -0.000000 -0.000000\n0.000000 4.520768 0.000000\n-0.000000 -0.000000 4.520768\nPa Ge\n3 1\ndirect\n0.499999 0.000000 0.499999 Pa\n0.000000 0.499999 0.499999 Pa\n0.499999 0.499999 0.000000 Pa\n0.000000 0.000000 0.000000 Ge\n",
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{
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"structure_string": "Tm2 Ir1 Rh1\n1.0\n0.000000 3.367488 3.367488\n3.367488 -0.000000 3.367488\n3.367488 3.367488 -0.000000\nTm Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "Be1 Ir2 Se1\n1.0\n-1.812699 1.812699 4.336261\n1.812699 -1.812699 4.336261\n1.812699 1.812699 -4.336261\nBe Ir Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Se\n",
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"volume": 56.99369267112159,
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"formula_full": "Be1 Ir2 Se1",
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{
"id": "jvasp-36089",
"created_at": "2022-09-04T14:37:30.262172Z",
"updated_at": "2022-09-04T14:37:30.262193Z",
"structure_string": "Er2 Pu6\n1.0\n3.397237 -5.884188 0.000000\n3.397237 5.884188 0.000000\n-0.000000 -0.000000 5.427275\nEr Pu\n2 6\ndirect\n0.333333 0.666667 0.750001 Er\n0.666667 0.333333 0.250000 Er\n0.672409 0.836205 0.250000 Pu\n0.163796 0.836205 0.250000 Pu\n0.163796 0.327592 0.250000 Pu\n0.327592 0.163796 0.750001 Pu\n0.836205 0.163796 0.750001 Pu\n0.836205 0.672409 0.750001 Pu\n",
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"elements": [
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"volume": 216.98225031024054,
"volume_molar": 16.333720672372777,
"formula_full": "Er2 Pu6",
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"spacegroup": 194
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{
"id": "jvasp-41482",
"created_at": "2022-09-04T14:37:39.341367Z",
"updated_at": "2022-09-04T14:37:39.341376Z",
"structure_string": "Tm2 Hg6\n1.0\n3.286398 -5.692208 -0.000000\n3.286398 5.692208 0.000000\n0.000000 0.000000 4.970366\nTm Hg\n2 6\ndirect\n0.333333 0.666667 0.750001 Tm\n0.666667 0.333333 0.250000 Tm\n0.663863 0.831932 0.250000 Hg\n0.168069 0.831932 0.250000 Hg\n0.168069 0.336138 0.250000 Hg\n0.336138 0.168069 0.750001 Hg\n0.831932 0.168069 0.750001 Hg\n0.831932 0.663863 0.750001 Hg\n",
"nsites": 8,
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"volume": 185.95989163087532,
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"formula_full": "Tm2 Hg6",
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"spacegroup": 194
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{
"id": "jvasp-41267",
"created_at": "2022-09-04T14:37:46.019877Z",
"updated_at": "2022-09-04T14:37:46.019899Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.477088 -0.000000 0.000000\n-0.000000 9.477088 0.000000\n-0.000000 -0.000000 2.946166\nMg Zn B Ir\n4 2 4 10\ndirect\n0.676606 0.176606 0.000000 Mg\n0.323394 0.823394 0.000000 Mg\n0.176606 0.323394 0.000000 Mg\n0.823394 0.676606 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.372621 0.127380 0.000000 B\n0.627380 0.872621 0.000000 B\n0.872621 0.372621 0.000000 B\n0.127380 0.627380 0.000000 B\n0.000000 0.500000 0.500001 Ir\n0.784692 0.929338 0.500001 Ir\n0.215308 0.070663 0.500001 Ir\n0.284692 0.570663 0.500001 Ir\n0.715308 0.429337 0.500001 Ir\n0.570663 0.715308 0.500001 Ir\n0.429337 0.284692 0.500001 Ir\n0.929338 0.215308 0.500001 Ir\n0.070663 0.784692 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n",
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"density": 13.76480909858309,
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"volume": 264.6104795661011,
"volume_molar": 7.9676077725908225,
"formula_full": "Mg4 Zn2 B4 Ir10",
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"formula_anonymous": "AB2C2D5",
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{
"id": "jvasp-106007",
"created_at": "2022-09-04T14:35:53.433788Z",
"updated_at": "2022-09-04T14:35:53.433804Z",
"structure_string": "Pu1 Zr1\n1.0\n3.080651 0.234140 5.237824\n1.604510 2.640223 5.237824\n0.381643 0.234140 6.064615\nPu Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.499999 0.500001 Zr\n",
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"elements": [
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"density_atomic": 0.049469675975821026,
"volume": 40.42880735619791,
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"formula_full": "Pu1 Zr1",
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{
"id": "jvasp-79378",
"created_at": "2022-09-04T14:37:13.733189Z",
"updated_at": "2022-09-04T14:37:13.733208Z",
"structure_string": "W2 N2\n1.0\n1.457168 -2.523888 -0.000000\n1.457168 2.523888 -0.000000\n0.000000 0.000000 6.487513\nW N\n2 2\ndirect\n0.000000 0.000000 0.342217 W\n0.333337 0.666669 0.842217 W\n0.000000 0.000000 0.032782 N\n0.333337 0.666669 0.532782 N\n",
"nsites": 4,
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"elements": [
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"volume": 47.71862717961196,
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"formula_full": "W2 N2",
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"spacegroup": 186
},
{
"id": "jvasp-37497",
"created_at": "2022-09-04T14:38:05.570370Z",
"updated_at": "2022-09-04T14:38:05.570402Z",
"structure_string": "Yb1 Pu3\n1.0\n-2.388581 2.388581 4.782096\n2.388581 -2.388581 4.782096\n2.388581 2.388581 -4.782096\nYb Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.749999 0.250000 0.499999 Pu\n0.250000 0.749999 0.499999 Pu\n0.500000 0.500000 -0.000000 Pu\n",
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"volume": 109.13353637700513,
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"formula_full": "Yb1 Pu3",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-37330",
"created_at": "2022-09-04T14:38:04.622944Z",
"updated_at": "2022-09-04T14:38:04.622972Z",
"structure_string": "Tb2 B8 Ir8\n1.0\n7.675799 -0.000000 0.000000\n0.000000 7.675799 -0.000000\n-0.000000 -0.000000 3.974131\nTb B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.656906 0.224447 0.111190 B\n0.224447 0.343094 0.888810 B\n0.775553 0.656906 0.888810 B\n0.343094 0.775553 0.111190 B\n0.275553 0.156906 0.611190 B\n0.156906 0.724447 0.388810 B\n0.843094 0.275553 0.388810 B\n0.724447 0.843094 0.611190 B\n0.392046 0.162115 0.112660 Ir\n0.892046 0.662115 0.387340 Ir\n0.107954 0.337885 0.387340 Ir\n0.337885 0.892046 0.612660 Ir\n0.662115 0.107954 0.612660 Ir\n0.837885 0.392046 0.887339 Ir\n0.162115 0.607954 0.887339 Ir\n0.607954 0.837885 0.112660 Ir\n",
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{
"id": "jvasp-59502",
"created_at": "2022-09-04T14:38:35.203973Z",
"updated_at": "2022-09-04T14:38:35.204000Z",
"structure_string": "Ta10 Ge6\n1.0\n3.825390 -6.625770 -0.000000\n3.825390 6.625770 -0.000000\n-0.000000 -0.000000 5.338236\nTa Ge\n10 6\ndirect\n0.235453 0.000000 0.250000 Ta\n0.764547 0.000000 0.750001 Ta\n0.235453 0.235453 0.750001 Ta\n0.000000 0.235453 0.250000 Ta\n0.764547 0.764547 0.250000 Ta\n0.000000 0.764547 0.750001 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.000000 Ta\n0.000000 0.603054 0.250000 Ge\n0.603054 0.603054 0.750001 Ge\n0.396946 0.000000 0.750001 Ge\n0.603054 0.000000 0.250000 Ge\n0.396946 0.396946 0.250000 Ge\n0.000000 0.396946 0.750001 Ge\n",
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{
"id": "jvasp-109751",
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}