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{
"id": "jvasp-51035",
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"structure_string": "Ca1 H2 O2\n1.0\n-3.590021 -0.021817 0.012177\n1.774947 3.112996 -0.199019\n-0.014796 -0.315194 -4.812591\nCa H O\n1 2 2\ndirect\n0.085763 0.011073 0.974624 Ca\n0.417940 0.676701 0.531958 H\n0.752441 0.345811 0.417324 H\n0.418616 0.676591 0.734404 O\n0.752989 0.345479 0.214876 O\n",
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{
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{
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"structure_string": "Al1 N3\n1.0\n4.153797 -0.229447 0.155991\n-0.482465 -3.188059 -0.144443\n0.455001 -0.820778 -4.044015\nAl N\n1 3\ndirect\n0.177671 0.501898 0.605256 Al\n0.153849 -0.049111 0.772271 N\n0.572981 0.613199 0.279605 N\n-0.151381 0.621236 0.272300 N\n",
"nsites": 4,
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{
"id": "jvasp-103120",
"created_at": "2022-09-04T14:36:48.012750Z",
"updated_at": "2022-09-04T14:36:48.012766Z",
"structure_string": "Be4 Fe1 Ge1\n1.0\n3.669674 0.000000 2.118687\n1.223225 3.459801 2.118687\n0.000000 0.000000 4.237374\nBe Fe Ge\n4 1 1\ndirect\n0.623830 0.623831 0.128509 Be\n0.623830 0.128507 0.623832 Be\n0.128506 0.623831 0.623832 Be\n0.623830 0.623831 0.623832 Be\n0.249999 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
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"volume": 53.79914853196494,
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"formula_full": "Be4 Fe1 Ge1",
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"spacegroup": 216
},
{
"id": "jvasp-36871",
"created_at": "2022-09-04T14:38:03.301263Z",
"updated_at": "2022-09-04T14:38:03.301289Z",
"structure_string": "Ba1 C1\n1.0\n-2.996266 -2.996266 0.000000\n-2.996266 0.000000 -2.996266\n-0.000000 -2.996266 -2.996266\nBa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 C\n",
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"elements": [
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{
"id": "jvasp-116303",
"created_at": "2022-09-04T14:38:41.813693Z",
"updated_at": "2022-09-04T14:38:41.813724Z",
"structure_string": "Li2 Se1\n1.0\n4.062742 -0.712340 -0.970092\n1.642197 -3.877741 0.470275\n-0.651923 1.568482 -3.882351\nLi Se\n2 1\ndirect\n0.113735 0.534339 0.194674 Li\n0.613878 0.534165 0.694568 Li\n0.863785 0.034265 0.944619 Se\n",
"nsites": 3,
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"formula_full": "Li2 Se1",
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{
"id": "jvasp-117975",
"created_at": "2022-09-04T14:38:30.136678Z",
"updated_at": "2022-09-04T14:38:30.136699Z",
"structure_string": "Ca1 Ga1 H2\n1.0\n3.437562 0.000000 0.000000\n0.000000 3.437562 0.000000\n0.000000 -0.000000 4.552240\nCa Ga H\n1 1 2\ndirect\n0.500000 0.500000 0.565358 Ca\n0.000000 0.000000 -0.000540 Ga\n0.000000 0.000000 0.377798 H\n0.500000 0.500000 0.067383 H\n",
"nsites": 4,
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"elements": [
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"volume": 53.79305759729881,
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"formula_full": "Ca1 Ga1 H2",
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{
"id": "jvasp-51043",
"created_at": "2022-09-04T14:36:06.814758Z",
"updated_at": "2022-09-04T14:36:06.814778Z",
"structure_string": "Mn3 Ga1 N1\n1.0\n3.774850 0.000035 -0.000005\n0.000031 3.774887 0.000014\n-0.000004 0.000015 3.774974\nMn Ga N\n3 1 1\ndirect\n0.500005 0.499983 0.000002 Mn\n0.499982 -0.000002 0.499997 Mn\n0.000015 0.500024 0.499997 Mn\n-0.000008 0.000013 0.999998 Ga\n0.500009 0.499989 0.500002 N\n",
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"formula_full": "Mn3 Ga1 N1",
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{
"id": "jvasp-36622",
"created_at": "2022-09-04T14:37:29.529110Z",
"updated_at": "2022-09-04T14:37:29.529125Z",
"structure_string": "Ca1 Ge1 O3\n1.0\n3.774552 -0.000000 -0.000000\n0.000000 3.774552 -0.000000\n-0.000000 -0.000000 3.774552\nCa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-70155",
"created_at": "2022-09-04T14:36:07.636136Z",
"updated_at": "2022-09-04T14:36:07.636163Z",
"structure_string": "Be2 V1 Te1\n1.0\n-1.797313 1.797313 4.161619\n1.797313 -1.797313 4.161619\n1.797313 1.797313 -4.161619\nBe V Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 V\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
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],
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{
"id": "jvasp-81698",
"created_at": "2022-09-04T14:37:08.906039Z",
"updated_at": "2022-09-04T14:37:08.906050Z",
"structure_string": "Mn1 Be1 Ir2\n1.0\n-10.841541 0.000000 -6.259368\n-6.442077 -0.350955 -1.360731\n-5.595764 2.042778 -2.826586\nMn Be Ir\n1 1 2\ndirect\n0.500000 -0.000001 -0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.682642 -0.000001 -0.000000 Ir\n0.317358 -0.000000 -0.000000 Ir\n",
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},
{
"id": "jvasp-39597",
"created_at": "2022-09-04T14:37:41.334642Z",
"updated_at": "2022-09-04T14:37:41.334662Z",
"structure_string": "Y1 Zr1\n1.0\n1.698369 -2.941661 0.000000\n1.698369 2.941661 -0.000000\n0.000000 -0.000000 5.381327\nY Zr\n1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.333333 0.666667 0.500000 Zr\n",
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