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{
"id": "jvasp-58844",
"created_at": "2022-09-04T14:37:53.294334Z",
"updated_at": "2022-09-04T14:37:53.294355Z",
"structure_string": "Hg8 As4 Cl8\n1.0\n8.191866 -0.002150 0.920134\n3.903114 7.202247 0.920134\n-0.008533 -0.005080 8.970806\nHg As Cl\n8 4 8\ndirect\n0.219371 0.219371 0.518477 Hg\n0.723869 0.723869 0.956779 Hg\n0.276132 0.276132 0.043220 Hg\n0.229216 0.734781 0.756283 Hg\n0.265219 0.770784 0.243717 Hg\n0.770784 0.265219 0.243717 Hg\n0.734781 0.229216 0.756283 Hg\n0.780629 0.780629 0.481523 Hg\n0.556295 0.556296 0.091900 As\n0.443705 0.443705 0.908100 As\n0.957332 0.957333 0.389381 As\n0.042668 0.042668 0.610618 As\n0.607788 0.607789 0.521317 Cl\n0.392212 0.392212 0.478682 Cl\n0.109495 0.109494 0.984499 Cl\n0.890505 0.890506 0.015500 Cl\n0.994364 0.543333 0.739015 Cl\n0.456667 0.005636 0.260984 Cl\n0.005636 0.456667 0.260984 Cl\n0.543333 0.994364 0.739016 Cl\n",
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{
"id": "jvasp-110306",
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"updated_at": "2022-09-04T14:37:54.270196Z",
"structure_string": "Ba1 Mg2 N2\n1.0\n3.700504 0.000000 -0.000005\n-1.850252 3.204730 -0.000000\n0.000000 0.000000 6.730306\nBa Mg N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Ba\n0.666666 0.333333 0.122654 Mg\n0.333333 0.666667 0.877348 Mg\n0.666666 0.333333 0.795103 N\n0.333333 0.666667 0.204898 N\n",
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{
"id": "jvasp-41532",
"created_at": "2022-09-04T14:37:45.019394Z",
"updated_at": "2022-09-04T14:37:45.019419Z",
"structure_string": "Tm4 Mg2 Ge4\n1.0\n7.161448 0.000000 0.000000\n0.000000 7.161448 0.000000\n0.000000 0.000000 4.175597\nTm Mg Ge\n4 2 4\ndirect\n0.176874 0.323126 0.500000 Tm\n0.323126 0.823127 0.500000 Tm\n0.676874 0.176874 0.500000 Tm\n0.823127 0.676874 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125432 0.625432 0.000000 Ge\n0.374568 0.125432 0.000000 Ge\n0.625432 0.874568 0.000000 Ge\n0.874568 0.374568 0.000000 Ge\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.04669600614785805,
"volume": 214.15107682520085,
"volume_molar": 12.896479285469333,
"formula_full": "Tm4 Mg2 Ge4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "jvasp-16861",
"created_at": "2022-09-04T14:38:00.458860Z",
"updated_at": "2022-09-04T14:38:00.458880Z",
"structure_string": "Pr1 Al2 Si2\n1.0\n2.129258 -3.687983 -0.000000\n2.129258 3.687983 0.000000\n0.000000 0.000000 6.905940\nPr Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333334 0.359138 Al\n0.333334 0.666667 0.640862 Al\n0.666667 0.333334 0.728898 Si\n0.333334 0.666667 0.271102 Si\n",
"nsites": 5,
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"elements": [
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"volume": 108.46009851887578,
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{
"id": "jvasp-21747",
"created_at": "2022-09-04T14:37:38.303528Z",
"updated_at": "2022-09-04T14:37:38.303557Z",
"structure_string": "Pr4 Cd2 Ni4\n1.0\n7.561040 0.000000 0.000000\n-0.000000 7.561040 0.000000\n-0.000000 0.000000 3.845630\nPr Cd Ni\n4 2 4\ndirect\n0.322169 0.822169 0.500000 Pr\n0.822169 0.677831 0.500000 Pr\n0.177831 0.322169 0.500000 Pr\n0.677831 0.177831 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.383571 0.116429 0.000000 Ni\n0.883571 0.383571 0.000000 Ni\n0.116429 0.616429 0.000000 Ni\n0.616429 0.883571 0.000000 Ni\n",
"nsites": 10,
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"elements": [
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"density": 7.7284104844770205,
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{
"id": "jvasp-41328",
"created_at": "2022-09-04T14:37:51.010477Z",
"updated_at": "2022-09-04T14:37:51.010491Z",
"structure_string": "Lu4 Mg2 Ge4\n1.0\n7.114191 0.000000 0.000000\n0.000000 7.114191 -0.000000\n0.000000 -0.000000 4.143678\nLu Mg Ge\n4 2 4\ndirect\n0.176634 0.323366 0.500000 Lu\n0.323366 0.823366 0.500000 Lu\n0.676634 0.176634 0.500000 Lu\n0.823366 0.676634 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.126074 0.626074 0.000000 Ge\n0.373926 0.126074 0.000000 Ge\n0.626074 0.873925 0.000000 Ge\n0.873925 0.373926 0.000000 Ge\n",
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"volume": 209.71864412231508,
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{
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"created_at": "2022-09-04T14:37:40.102679Z",
"updated_at": "2022-09-04T14:37:40.102703Z",
"structure_string": "Sr1 Mg2 N2\n1.0\n1.812359 -3.139099 0.000000\n1.812359 3.139099 0.000000\n0.000000 0.000000 6.370894\nSr Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.868605 Mg\n0.666667 0.333333 0.131394 Mg\n0.333333 0.666667 0.219908 N\n0.666667 0.333333 0.780091 N\n",
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"volume": 72.49025313834461,
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"formula_full": "Sr1 Mg2 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-109121",
"created_at": "2022-09-04T14:38:02.832632Z",
"updated_at": "2022-09-04T14:38:02.832653Z",
"structure_string": "La2 Sb1 I2\n1.0\n4.556044 0.000000 0.000000\n-2.278023 3.945649 0.000000\n-0.000000 -0.000000 11.005709\nLa Sb I\n2 1 2\ndirect\n0.333333 0.666667 0.164003 La\n0.666666 0.333333 0.835997 La\n0.000000 0.000000 0.000000 Sb\n0.333333 0.666667 0.652499 I\n0.666666 0.333333 0.347501 I\n",
"nsites": 5,
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"density": 5.483911920425632,
"density_atomic": 0.025272349610503595,
"volume": 197.84468310464965,
"volume_molar": 23.82897060547588,
"formula_full": "La2 Sb1 I2",
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"spacegroup": 164
},
{
"id": "jvasp-17557",
"created_at": "2022-09-04T14:37:57.279761Z",
"updated_at": "2022-09-04T14:37:57.279790Z",
"structure_string": "La1 Co2 Ge2\n1.0\n3.839381 -0.000000 -1.426930\n-0.530327 3.802578 -1.426930\n0.016317 0.018750 5.922599\nLa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.637156 0.637157 0.274314 Ge\n0.362844 0.362844 0.725686 Ge\n",
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"spacegroup": 139
},
{
"id": "jvasp-5557",
"created_at": "2022-09-04T14:37:38.882769Z",
"updated_at": "2022-09-04T14:37:38.882797Z",
"structure_string": "Ta4 Ni8 Te8\n1.0\n3.578687 0.000000 0.000000\n-0.000000 6.522701 0.000000\n0.000000 0.000000 17.451756\nTa Ni Te\n4 8 8\ndirect\n0.250000 0.404027 0.775385 Ta\n0.750001 0.595973 0.224615 Ta\n0.250000 0.904027 0.724615 Ta\n0.750001 0.095973 0.275385 Ta\n0.750001 0.099664 0.814825 Ni\n0.250000 0.900336 0.185175 Ni\n0.250000 0.400336 0.314825 Ni\n0.750001 0.599664 0.685175 Ni\n0.750001 0.710560 0.816435 Ni\n0.750001 0.210560 0.683565 Ni\n0.250000 0.789440 0.316435 Ni\n0.250000 0.289440 0.183565 Ni\n0.750001 0.592775 0.394061 Te\n0.250000 0.096266 0.406151 Te\n0.750001 0.903734 0.593850 Te\n0.750001 0.403734 0.906151 Te\n0.250000 0.596265 0.093849 Te\n0.750001 0.092775 0.105939 Te\n0.250000 0.907225 0.894061 Te\n0.250000 0.407225 0.605939 Te\n",
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{
"id": "jvasp-109211",
"created_at": "2022-09-04T14:37:57.198371Z",
"updated_at": "2022-09-04T14:37:57.198401Z",
"structure_string": "Cr2 S1 N2\n1.0\n3.257707 0.009935 0.001559\n-1.635693 2.815278 0.000000\n-0.004496 -0.002612 6.093474\nCr S N\n2 1 2\ndirect\n0.666744 0.333374 0.696484 Cr\n0.333258 0.666629 0.303516 Cr\n0.000000 0.000000 0.000000 S\n0.666885 0.333444 0.369502 N\n0.333117 0.666560 0.630497 N\n",
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{
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"created_at": "2022-09-04T14:37:38.546618Z",
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"structure_string": "Tb4 Ge4 Ru2\n1.0\n4.165169 -0.000000 0.991660\n2.008419 5.393728 0.807342\n-0.009932 -0.011762 9.284815\nTb Ge Ru\n4 4 2\ndirect\n0.316200 0.756061 0.611539 Tb\n0.683801 0.243940 0.388460 Tb\n0.501503 0.170255 0.826740 Tb\n0.498498 0.829746 0.173260 Tb\n0.146247 0.773539 0.933969 Ge\n0.853754 0.226462 0.066030 Ge\n0.013895 0.348063 0.624146 Ge\n0.986106 0.651937 0.375853 Ge\n0.226952 0.416917 0.129177 Ru\n0.773048 0.583084 0.870822 Ru\n",
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