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{
"id": "jvasp-35815",
"created_at": "2022-09-04T14:37:31.206403Z",
"updated_at": "2022-09-04T14:37:31.206434Z",
"structure_string": "Tb1 Cu2 S2\n1.0\n3.958821 0.000568 -0.001611\n-1.978919 3.428723 0.001611\n-0.005379 0.003106 6.381986\nTb Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666148 0.333853 0.672107 Cu\n0.333852 0.666148 0.327894 Cu\n0.667057 0.332944 0.268776 S\n0.332943 0.667057 0.731225 S\n",
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{
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"structure_string": "Tl4 Pd2 Se4\n1.0\n3.732866 0.000000 0.000000\n0.000000 6.186635 0.000000\n0.000000 0.000000 11.380763\nTl Pd Se\n4 2 4\ndirect\n0.000000 0.611960 0.153104 Tl\n0.000000 0.388039 0.846896 Tl\n0.000000 0.111960 0.346896 Tl\n0.000000 0.888039 0.653104 Tl\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500001 0.681178 0.388614 Se\n0.500001 0.318822 0.611386 Se\n0.500001 0.181178 0.111386 Se\n0.500001 0.818821 0.888614 Se\n",
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{
"id": "jvasp-23360",
"created_at": "2022-09-04T14:37:32.281115Z",
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"structure_string": "Nd2 Ni4 Sn4\n1.0\n4.458076 0.000000 -0.000000\n0.000000 4.458076 0.000000\n0.000000 0.000000 10.134680\nNd Ni Sn\n2 4 4\ndirect\n0.500000 0.000000 0.761331 Nd\n0.000000 0.500000 0.238669 Nd\n0.500000 0.000000 0.372448 Ni\n0.000000 0.500000 0.627552 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.875008 Sn\n0.500000 0.000000 0.124992 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 10,
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"volume": 201.4211060153808,
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"formula_full": "Nd2 Ni4 Sn4",
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"spacegroup": 129
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{
"id": "jvasp-56260",
"created_at": "2022-09-04T14:37:31.183113Z",
"updated_at": "2022-09-04T14:37:31.183133Z",
"structure_string": "Np1 Fe2 Si2\n1.0\n3.700492 -0.000000 -1.339891\n-0.485153 3.668550 -1.339891\n-0.140647 -0.160472 5.391490\nNp Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.371024 0.371024 0.742049 Si\n0.628976 0.628976 0.257951 Si\n",
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"volume": 71.60052789941807,
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"formula_full": "Np1 Fe2 Si2",
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"energy_above_hull": 4.23837364,
"spacegroup": 139
},
{
"id": "jvasp-29805",
"created_at": "2022-09-04T14:37:30.398333Z",
"updated_at": "2022-09-04T14:37:30.398362Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.550123 0.000149 0.008300\n-1.774933 3.074274 0.000000\n-0.017001 -0.009815 4.632534\nCd H O\n1 2 2\ndirect\n0.000000 0.063151 -0.000000 Cd\n0.666149 0.396436 0.547457 H\n0.333851 0.730287 0.452542 H\n0.666304 0.396286 0.758709 O\n0.333696 0.729981 0.241290 O\n",
"nsites": 5,
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},
{
"id": "jvasp-35664",
"created_at": "2022-09-04T14:37:30.478597Z",
"updated_at": "2022-09-04T14:37:30.478624Z",
"structure_string": "Mg1 Be2 P2\n1.0\n1.826705 -3.163947 0.000000\n1.826705 3.163947 -0.000000\n0.000000 0.000000 6.230779\nMg Be P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.373620 Be\n0.333334 0.666668 0.626380 Be\n0.666668 0.333334 0.732781 P\n0.333334 0.666668 0.267219 P\n",
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{
"id": "jvasp-35808",
"created_at": "2022-09-04T14:37:31.035167Z",
"updated_at": "2022-09-04T14:37:31.035199Z",
"structure_string": "Ca1 Be2 As2\n1.0\n1.939801 -3.359834 0.000000\n1.939801 3.359834 -0.000000\n-0.000000 0.000000 6.787458\nCa Be As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.624904 Be\n0.666667 0.333333 0.375096 Be\n0.333333 0.666667 0.280003 As\n0.666667 0.333333 0.719997 As\n",
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"spacegroup": 164
},
{
"id": "jvasp-29808",
"created_at": "2022-09-04T14:37:32.319526Z",
"updated_at": "2022-09-04T14:37:32.319544Z",
"structure_string": "Mn1 H2 O2\n1.0\n2.993012 -0.133559 -0.070526\n-1.591811 2.773065 -0.001559\n-0.080288 -0.037791 4.490585\nMn H O\n1 2 2\ndirect\n0.012513 0.924770 0.977926 Mn\n0.649510 0.243544 0.533534 H\n0.375461 0.606023 0.422308 H\n0.685141 0.260856 0.751820 O\n0.339899 0.588694 0.204018 O\n",
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"spacegroup": 12
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{
"id": "jvasp-36669",
"created_at": "2022-09-04T14:37:18.709484Z",
"updated_at": "2022-09-04T14:37:18.709509Z",
"structure_string": "Ca1 B2 H2\n1.0\n1.736838 -3.008291 -0.000000\n1.736838 3.008291 -0.000000\n-0.000000 0.000000 3.989661\nCa B H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333334 0.461561 B\n0.333334 0.666667 0.538439 B\n0.666667 0.333334 0.152237 H\n0.333334 0.666667 0.847763 H\n",
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},
{
"id": "jvasp-76249",
"created_at": "2022-09-04T14:37:04.305249Z",
"updated_at": "2022-09-04T14:37:04.305269Z",
"structure_string": "Tb4 Mg2 Ge4\n1.0\n-0.000000 -0.000000 4.252242\n7.266039 0.000000 0.000000\n-0.000000 7.266039 0.000000\nTb Mg Ge\n4 2 4\ndirect\n0.500000 0.177407 0.677407 Tb\n0.500000 0.822593 0.322593 Tb\n0.500000 0.322593 0.177407 Tb\n0.500000 0.677407 0.822593 Tb\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.375944 0.875944 Ge\n0.000000 0.624057 0.124057 Ge\n0.000000 0.124057 0.375944 Ge\n0.000000 0.875944 0.624057 Ge\n",
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{
"id": "jvasp-22531",
"created_at": "2022-09-04T14:36:57.872298Z",
"updated_at": "2022-09-04T14:36:57.872330Z",
"structure_string": "Bi4 S2 O4\n1.0\n3.869820 0.000000 0.000000\n0.000000 3.881787 0.000000\n0.000000 0.000000 12.096678\nBi S O\n4 2 4\ndirect\n0.500000 0.451376 0.856872 Bi\n0.500000 0.548625 0.143128 Bi\n0.000000 0.951376 0.643128 Bi\n0.000000 0.048624 0.356872 Bi\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.000000 0.463587 0.749673 O\n0.000000 0.536413 0.250327 O\n0.500000 0.963588 0.750327 O\n0.500000 0.036413 0.249673 O\n",
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{
"id": "jvasp-15106",
"created_at": "2022-09-04T14:36:59.455730Z",
"updated_at": "2022-09-04T14:36:59.455761Z",
"structure_string": "Tm1 Fe2 Si2\n1.0\n3.701954 -0.000000 -1.354772\n-0.495794 3.668604 -1.354772\n-0.091262 -0.104425 5.485862\nTm Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.749999 0.249999 0.500000 Fe\n0.250001 0.749999 0.500000 Fe\n0.632703 0.632703 0.265408 Si\n0.367297 0.367295 0.734592 Si\n",
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