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{
"id": "jvasp-1177",
"created_at": "2022-09-04T14:35:49.780231Z",
"updated_at": "2022-09-04T14:35:49.780255Z",
"structure_string": "Ga1 Sb1\n1.0\n3.793682 0.000000 2.190283\n1.264561 3.576718 2.190283\n0.000000 0.000000 4.380567\nGa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-20099",
"created_at": "2022-09-04T14:36:32.670131Z",
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"structure_string": "Ga1 Sb1\n1.0\n3.793682 -0.000000 2.190283\n1.264561 3.576718 2.190283\n0.000000 0.000000 4.380567\nGa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-118771",
"created_at": "2022-09-04T14:38:44.193881Z",
"updated_at": "2022-09-04T14:38:44.193911Z",
"structure_string": "Sr1 Ti1 N1\n1.0\n3.508697 0.000000 0.000000\n-0.000000 3.508697 -0.000000\n-0.000000 -0.000000 7.241379\nSr Ti N\n1 1 1\ndirect\n0.000000 0.000000 0.306882 Sr\n0.000000 0.000000 0.761808 Ti\n0.000000 0.000000 -0.008904 N\n",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-17752",
"created_at": "2022-09-04T14:37:29.986202Z",
"updated_at": "2022-09-04T14:37:29.986222Z",
"structure_string": "Na1 Pb3\n1.0\n4.916735 0.000000 -0.000000\n-0.000000 4.916735 -0.000000\n0.000000 0.000000 4.916735\nNa Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.499999 0.499999 Pb\n0.499999 0.499999 0.000000 Pb\n0.499999 0.000000 0.499999 Pb\n",
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"volume": 118.85854362211538,
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"spacegroup": 221
},
{
"id": "jvasp-123725",
"created_at": "2022-09-04T14:38:55.002191Z",
"updated_at": "2022-09-04T14:38:55.002217Z",
"structure_string": "Yb1 Se2\n1.0\n2.413715 -3.881227 -0.958059\n2.154386 3.731503 -0.000001\n-1.136627 0.656231 5.444317\nYb Se\n1 2\ndirect\n0.000000 0.333320 0.166667 Yb\n0.793036 0.729856 0.428805 Se\n0.206964 -0.063179 0.904529 Se\n",
"nsites": 3,
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"density": 6.165171326476543,
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"volume": 89.14140100564275,
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"formula_full": "Yb1 Se2",
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"spacegroup": 12
},
{
"id": "jvasp-30465",
"created_at": "2022-09-04T14:37:57.901745Z",
"updated_at": "2022-09-04T14:37:57.901761Z",
"structure_string": "Sm4 Mg2\n1.0\n3.738507 -0.000000 0.000000\n1.869254 8.612830 0.000000\n0.000000 0.000000 5.536861\nSm Mg\n4 2\ndirect\n0.979258 0.041488 0.000000 Sm\n0.660614 0.678773 0.000000 Sm\n0.798522 0.402956 0.499999 Sm\n0.117162 0.765671 0.499999 Sm\n0.321230 0.357537 0.000000 Mg\n0.456545 0.086908 0.499999 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 178.28208080210393,
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"formula_full": "Sm4 Mg2",
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},
{
"id": "jvasp-29089",
"created_at": "2022-09-04T14:37:50.036822Z",
"updated_at": "2022-09-04T14:37:50.036854Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.316142 0.000000 0.000000\n-1.658071 2.871873 0.000003\n0.000000 0.000043 37.438338\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666647 0.333293 0.042933 Te\n0.666648 0.333296 0.145134 Te\n0.333311 0.666623 0.093861 Mo\n0.666683 0.333367 0.281821 Mo\n0.333306 0.666613 0.469654 W\n0.666686 0.333372 0.657531 W\n0.333353 0.666706 0.702443 Se\n0.333353 0.666706 0.612398 Se\n0.333358 0.666715 0.322658 S\n0.666646 0.333291 0.428567 S\n0.666645 0.333290 0.510753 S\n0.333358 0.666717 0.240997 S\n",
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"W",
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],
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"density": 5.12740754249443,
"density_atomic": 0.03365629730825429,
"volume": 356.5454598315831,
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"formula_full": "Te2 Mo2 W2 Se2 S4",
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"formula_anonymous": "ABCDE2",
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"spacegroup": 156
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{
"id": "jvasp-116664",
"created_at": "2022-09-04T14:38:44.139112Z",
"updated_at": "2022-09-04T14:38:44.139136Z",
"structure_string": "Nd2 Sm6 Sb6\n1.0\n7.684125 0.001280 2.716506\n-3.849796 6.650177 2.716506\n0.000085 0.000148 8.139279\nNd Sm Sb\n2 6 6\ndirect\n0.500780 0.642226 0.999577 Nd\n0.642226 0.500780 0.499577 Nd\n0.143738 0.500173 0.498969 Sm\n0.999260 0.998663 0.858160 Sm\n0.358595 0.857271 0.643329 Sm\n0.500174 0.143738 0.998969 Sm\n0.998663 0.999260 0.358160 Sm\n0.857270 0.358595 0.143329 Sm\n0.625143 0.878863 0.248893 Sb\n0.878864 0.625143 0.748892 Sb\n0.372176 0.245394 0.376823 Sb\n0.126027 0.751698 0.124254 Sb\n0.751698 0.126027 0.624254 Sb\n0.245394 0.372176 0.876823 Sb\n",
"nsites": 14,
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"elements": [
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"density": 7.66961537766329,
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"volume": 415.9575336984054,
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"formula_full": "Nd2 Sm6 Sb6",
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"formula_anonymous": "AB3C3",
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"spacegroup": 9
},
{
"id": "jvasp-101507",
"created_at": "2022-09-04T14:36:57.577538Z",
"updated_at": "2022-09-04T14:36:57.577559Z",
"structure_string": "Rb2 Hg1 As1 Cl6\n1.0\n6.486464 -0.000000 3.744962\n2.162155 6.115497 3.744962\n-0.000000 -0.000000 7.489924\nRb Hg As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.763054 0.236945 0.236945 Cl\n0.236945 0.236945 0.763054 Cl\n0.236944 0.763055 0.763054 Cl\n0.236944 0.763055 0.236945 Cl\n0.763054 0.236945 0.763054 Cl\n0.763054 0.763055 0.236945 Cl\n",
"nsites": 10,
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"formula_full": "Rb2 Hg1 As1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-110039",
"created_at": "2022-09-04T14:38:18.621071Z",
"updated_at": "2022-09-04T14:38:18.621102Z",
"structure_string": "Sr1 Ac1 Ga2\n1.0\n4.779064 -0.000000 2.759194\n1.593021 4.505745 2.759194\n-0.000000 -0.000000 5.518388\nSr Ac Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.500000 Ac\n0.749999 0.750001 0.749999 Ga\n0.250000 0.250000 0.250000 Ga\n",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-94383",
"created_at": "2022-09-04T14:36:01.702669Z",
"updated_at": "2022-09-04T14:36:01.702689Z",
"structure_string": "Y4 Mg2\n1.0\n3.504184 -0.000000 0.000000\n-1.752091 3.034712 0.000000\n0.000000 -0.000000 16.760077\nY Mg\n4 2\ndirect\n0.333333 0.666666 0.500000 Y\n0.000000 0.000000 0.329011 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.670989 Y\n0.333333 0.666666 0.163913 Mg\n0.333333 0.666666 0.836088 Mg\n",
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{
"id": "jvasp-104514",
"created_at": "2022-09-04T14:36:40.105095Z",
"updated_at": "2022-09-04T14:36:40.105115Z",
"structure_string": "K2 Tb1 Ag1 Cl6\n1.0\n6.485946 -0.000000 3.744663\n2.161982 6.115008 3.744663\n-0.000000 -0.000000 7.489325\nTb K Ag Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.752522 0.247478 0.247478 Cl\n0.247478 0.247478 0.752522 Cl\n0.247478 0.752522 0.752522 Cl\n0.247478 0.752522 0.247478 Cl\n0.752522 0.247478 0.752522 Cl\n0.752522 0.752522 0.247478 Cl\n",
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