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{
"id": "jvasp-52872",
"created_at": "2022-09-04T14:37:00.884436Z",
"updated_at": "2022-09-04T14:37:00.884457Z",
"structure_string": "Rb2 H2 S2\n1.0\n0.000000 4.497098 0.029261\n5.151319 0.000000 0.000000\n0.000000 -1.450935 -6.693342\nRb H S\n2 2 2\ndirect\n0.766959 0.750000 0.237764 Rb\n0.233043 0.250000 0.762236 Rb\n0.471835 0.750000 0.602746 H\n0.528166 0.250000 0.397254 H\n0.737863 0.750000 0.740386 S\n0.262139 0.250000 0.259614 S\n",
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{
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{
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"structure_string": "Sm1 Ho1 Hg2\n1.0\n-0.000000 3.723176 3.723176\n3.723176 -0.000000 3.723176\n3.723176 3.723176 0.000000\nSm Ho Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:37:53.844449Z",
"updated_at": "2022-09-04T14:37:53.844473Z",
"structure_string": "Ce2 Mg1 Al1\n1.0\n-0.000143 3.722586 3.723807\n3.722736 -0.000169 3.723833\n3.722813 3.722686 -0.000242\nCe Mg Al\n2 1 1\ndirect\n0.499996 0.500002 0.500007 Ce\n0.000003 0.999999 0.999995 Ce\n0.750000 0.750000 0.750001 Mg\n0.250001 0.249999 0.249999 Al\n",
"nsites": 4,
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"Mg",
"Al"
],
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"density": 5.33320930413555,
"density_atomic": 0.03875178417324863,
"volume": 103.22105382598886,
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"formula_full": "Ce2 Mg1 Al1",
"formula_reduced": "Ce2MgAl",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-17727",
"created_at": "2022-09-04T14:37:34.015749Z",
"updated_at": "2022-09-04T14:37:34.015771Z",
"structure_string": "La1 As1\n1.0\n3.899824 -0.000000 -0.000000\n0.000000 3.899824 0.000000\n-0.000000 -0.000000 3.393489\nLa As\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
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"elements": [
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"density": 6.879792209020578,
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"volume": 51.61030921341752,
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"formula_full": "La1 As1",
"formula_reduced": "LaAs",
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{
"id": "jvasp-5686",
"created_at": "2022-09-04T14:36:57.563118Z",
"updated_at": "2022-09-04T14:36:57.563132Z",
"structure_string": "Cu4 Se8 Br4\n1.0\n0.000000 7.937295 0.149306\n4.894470 0.000000 0.000000\n0.000000 -5.196536 -10.725270\nCu Se Br\n4 8 4\ndirect\n0.683508 0.330221 0.747427 Cu\n0.316491 0.830221 0.752573 Cu\n0.316492 0.669779 0.252573 Cu\n0.683508 0.169779 0.247427 Cu\n0.201474 0.003887 0.347861 Se\n0.798526 0.503887 0.152138 Se\n0.798526 -0.003887 0.652138 Se\n0.201473 0.496113 0.847861 Se\n0.075884 0.168083 0.657433 Se\n0.924116 0.668083 0.842566 Se\n0.924116 0.831917 0.342566 Se\n0.075884 0.331917 0.157433 Se\n0.603292 0.420760 0.394388 Br\n0.396708 0.920760 0.105612 Br\n0.396708 0.579240 0.605612 Br\n0.603292 0.079240 0.894388 Br\n",
"nsites": 16,
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"formula_full": "Cu4 Se8 Br4",
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{
"id": "jvasp-110762",
"created_at": "2022-09-04T14:38:40.197071Z",
"updated_at": "2022-09-04T14:38:40.197099Z",
"structure_string": "Ca1 Tb1 Hg2\n1.0\n4.559808 -0.000000 2.632606\n1.519936 4.299028 2.632606\n-0.000000 -0.000000 5.265213\nTb Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.750000 Hg\n",
"nsites": 4,
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],
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"spacegroup": 225
},
{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
"nsites": 16,
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"elements": [
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"N",
"Cl"
],
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"density": 2.004865716559449,
"density_atomic": 0.0387552986638692,
"volume": 412.84677325726517,
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"formula_full": "Al2 P2 N2 Cl10",
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"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-105804",
"created_at": "2022-09-04T14:35:59.337138Z",
"updated_at": "2022-09-04T14:35:59.337169Z",
"structure_string": "Li1 Yb1 Pb2\n1.0\n4.559754 0.000000 2.632575\n1.519918 4.298977 2.632575\n0.000000 0.000000 5.265150\nYb Li Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Li\n0.250000 0.250000 0.250000 Pb\n0.749999 0.750001 0.749999 Pb\n",
"nsites": 4,
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],
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"density": 9.563056744683594,
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"volume": 103.20893175641513,
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"formula_full": "Li1 Yb1 Pb2",
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},
{
"id": "jvasp-8433",
"created_at": "2022-09-04T14:36:49.231282Z",
"updated_at": "2022-09-04T14:36:49.231306Z",
"structure_string": "Ba2 Mn2 Ge2\n1.0\n4.492919 0.000000 0.000000\n0.000000 4.492919 0.000000\n0.000000 -0.000000 7.669057\nBa Mn Ge\n2 2 2\ndirect\n0.500000 0.000000 0.666776 Ba\n0.000000 0.500000 0.333224 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.834668 Ge\n0.500000 0.000000 0.165333 Ge\n",
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{
"id": "jvasp-41118",
"created_at": "2022-09-04T14:38:09.290611Z",
"updated_at": "2022-09-04T14:38:09.290630Z",
"structure_string": "Ho1 Lu1 Mg2\n1.0\n0.000000 3.722974 3.722974\n3.722974 -0.000000 3.722974\n3.722974 3.722974 -0.000000\nHo Lu Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ho\n0.749999 0.749999 0.749999 Lu\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n",
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{
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"created_at": "2022-09-04T14:36:35.484783Z",
"updated_at": "2022-09-04T14:36:35.484804Z",
"structure_string": "Pr5 Ag1 Se8\n1.0\n7.770780 0.056058 -0.000000\n-2.537409 7.345048 0.000000\n-2.616686 -3.700552 6.312451\nPr Ag Se\n5 1 8\ndirect\n0.114026 0.744570 0.871937 Pr\n0.255430 0.627368 0.369456 Pr\n0.372632 0.242090 0.628063 Pr\n0.757911 0.885974 0.130544 Pr\n0.625000 0.375000 0.250000 Pr\n0.875000 0.125001 0.750000 Ag\n0.989558 0.851160 0.500921 Se\n0.148841 0.149761 0.138399 Se\n0.369155 0.516291 0.008313 Se\n0.639158 0.630846 0.647136 Se\n0.483709 0.992023 0.852864 Se\n0.511363 0.010443 0.361601 Se\n0.850238 0.488638 0.999078 Se\n0.007978 0.360842 0.491687 Se\n",
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