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{
"id": "jvasp-15574",
"created_at": "2022-09-04T14:37:03.724782Z",
"updated_at": "2022-09-04T14:37:03.724804Z",
"structure_string": "Tb1 Si2 Os2\n1.0\n3.912933 -0.000000 -1.530808\n-0.598879 3.866832 -1.530808\n-0.036309 -0.042366 5.673560\nTb Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.628444 0.628444 0.256887 Si\n0.371555 0.371555 0.743112 Si\n0.249999 0.749999 0.499999 Os\n0.749999 0.249999 0.499999 Os\n",
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{
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"updated_at": "2022-09-04T14:37:03.714564Z",
"structure_string": "Li2 Ce1 N2\n1.0\n1.786972 -3.095125 -0.000000\n1.786972 3.095125 0.000000\n0.000000 0.000000 5.436521\nLi Ce N\n2 1 2\ndirect\n0.666667 0.333332 0.603631 Li\n0.333332 0.666667 0.396369 Li\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333332 0.229149 N\n0.333332 0.666667 0.770851 N\n",
"nsites": 5,
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],
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{
"id": "jvasp-2466",
"created_at": "2022-09-04T14:36:49.166095Z",
"updated_at": "2022-09-04T14:36:49.166107Z",
"structure_string": "Ca1 Mg2 N2\n1.0\n1.771303 -3.067986 0.000000\n1.771303 3.067986 0.000000\n0.000000 0.000000 6.079305\nCa Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.858950 Mg\n0.666666 0.333332 0.141049 Mg\n0.333332 0.666666 0.233668 N\n0.666666 0.333332 0.766331 N\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.07567280708433424,
"volume": 66.07393319541728,
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"formula_full": "Ca1 Mg2 N2",
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"spacegroup": 164
},
{
"id": "jvasp-106636",
"created_at": "2022-09-04T14:36:55.846560Z",
"updated_at": "2022-09-04T14:36:55.846576Z",
"structure_string": "Tm4 Co2 Si4\n1.0\n4.921240 -0.002829 2.471167\n3.214740 3.726132 2.471167\n-0.001260 -0.000576 9.853567\nTm Co Si\n4 2 4\ndirect\n0.999471 0.999469 0.328760 Tm\n0.000530 0.000529 0.671241 Tm\n0.813754 0.813753 0.106996 Tm\n0.186247 0.186245 0.893005 Tm\n0.726857 0.726855 0.626198 Co\n0.273144 0.273143 0.373803 Co\n0.649767 0.649766 0.433626 Si\n0.350234 0.350233 0.566375 Si\n0.509132 0.509131 0.125012 Si\n0.490869 0.490867 0.874989 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Co",
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],
"chemical_system": "Co-Si-Tm",
"density": 8.321003761642856,
"density_atomic": 0.05531267705269534,
"volume": 180.79038175051969,
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"formula_full": "Tm4 Co2 Si4",
"formula_reduced": "Tm2CoSi2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-10138",
"created_at": "2022-09-04T14:37:11.736419Z",
"updated_at": "2022-09-04T14:37:11.736430Z",
"structure_string": "K4 P4 Pd2\n1.0\n5.902471 -0.000000 -0.000000\n0.000000 5.723043 -2.616919\n-0.000000 0.069534 7.718498\nK P Pd\n4 4 2\ndirect\n0.750000 0.790260 0.580520 K\n0.750000 0.420550 0.841100 K\n0.250000 0.209739 0.419480 K\n0.250000 0.579449 0.158899 K\n0.750000 0.287776 0.226743 P\n0.250000 0.061034 0.773257 P\n0.250000 0.712223 0.773257 P\n0.750000 0.938964 0.226742 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "K-P-Pd",
"density": 3.127735212107419,
"density_atomic": 0.03819627407316674,
"volume": 261.80564054086886,
"volume_molar": 15.76630419099075,
"formula_full": "K4 P4 Pd2",
"formula_reduced": "K2P2Pd",
"formula_anonymous": "AB2C2",
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"spacegroup": 63
},
{
"id": "jvasp-2685",
"created_at": "2022-09-04T14:37:00.378639Z",
"updated_at": "2022-09-04T14:37:00.378668Z",
"structure_string": "Rb2 Pt1 S2\n1.0\n3.526533 0.000000 1.044122\n1.256718 5.850218 2.232931\n0.026900 0.017143 6.386654\nRb Pt S\n2 1 2\ndirect\n0.807678 0.692321 0.692321 Rb\n0.192321 0.307679 0.307678 Rb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.788255 0.211745 S\n0.500000 0.211745 0.788254 S\n",
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"elements": [
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"density": 5.43236036521805,
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"volume": 131.48616204766319,
"volume_molar": 15.836563516863949,
"formula_full": "Rb2 Pt1 S2",
"formula_reduced": "Rb2PtS2",
"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-14268",
"created_at": "2022-09-04T14:37:02.058158Z",
"updated_at": "2022-09-04T14:37:02.058180Z",
"structure_string": "Yb4 Al2 Si4\n1.0\n6.841599 -0.000000 -0.000000\n0.000000 6.841599 0.000000\n-0.000000 0.000000 4.542394\nYb Al Si\n4 2 4\ndirect\n0.325931 0.825931 0.500000 Yb\n0.825931 0.674069 0.500000 Yb\n0.174069 0.325931 0.500000 Yb\n0.674069 0.174069 0.500000 Yb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.624326 0.875675 0.000000 Si\n0.875675 0.375674 0.000000 Si\n0.375674 0.124326 0.000000 Si\n0.124326 0.624326 0.000000 Si\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.704581850015185,
"density_atomic": 0.04703270607510009,
"volume": 212.6180021203196,
"volume_molar": 12.804155368785432,
"formula_full": "Yb4 Al2 Si4",
"formula_reduced": "Yb2AlSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.26289628,
"spacegroup": 127
},
{
"id": "jvasp-107374",
"created_at": "2022-09-04T14:37:00.291864Z",
"updated_at": "2022-09-04T14:37:00.291890Z",
"structure_string": "Sr1 Fe2 N2\n1.0\n3.374859 -0.000159 0.000303\n-1.687337 2.922162 -0.000064\n-0.000536 -0.000118 6.171253\nSr Fe N\n1 2 2\ndirect\n-0.000001 -0.000000 0.499999 Sr\n0.666695 0.333314 0.112452 Fe\n0.333304 0.666686 0.887545 Fe\n0.666679 0.333332 0.802081 N\n0.333319 0.666667 0.197921 N\n",
"nsites": 5,
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"elements": [
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"Fe",
"N"
],
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"density": 6.202571489942925,
"density_atomic": 0.08215775102630775,
"volume": 60.85853054082443,
"volume_molar": 7.329972747272074,
"formula_full": "Sr1 Fe2 N2",
"formula_reduced": "Sr(FeN)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-2946",
"created_at": "2022-09-04T14:36:48.158465Z",
"updated_at": "2022-09-04T14:36:48.158479Z",
"structure_string": "Sr2 Zn1 N2\n1.0\n3.706652 0.000000 -1.059127\n-0.302632 3.694278 -1.059127\n-0.007927 -0.008602 6.987959\nSr Zn N\n2 1 2\ndirect\n0.658619 0.658620 0.317238 Sr\n0.341380 0.341381 0.682761 Sr\n0.000000 0.000000 0.000000 Zn\n0.856517 0.856519 0.713033 N\n0.143482 0.143483 0.286966 N\n",
"nsites": 5,
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"elements": [
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"volume": 95.62139522249761,
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"formula_full": "Sr2 Zn1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-15388",
"created_at": "2022-09-04T14:37:03.796006Z",
"updated_at": "2022-09-04T14:37:03.796024Z",
"structure_string": "Tb1 Si2 Ni2\n1.0\n3.729464 -0.000000 -1.429177\n-0.547679 3.689031 -1.429177\n-0.015404 -0.017859 5.540443\nTb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627480 0.627480 0.254961 Si\n0.372520 0.372519 0.745037 Si\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n",
"nsites": 5,
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"elements": [
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"formula_full": "Tb1 Si2 Ni2",
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"spacegroup": 139
},
{
"id": "jvasp-15517",
"created_at": "2022-09-04T14:36:49.015699Z",
"updated_at": "2022-09-04T14:36:49.015739Z",
"structure_string": "Y1 Ni2 Ge2\n1.0\n3.799259 0.000000 -1.453617\n-0.556162 3.758331 -1.453617\n-0.002164 -0.002508 5.686138\nY Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.750001 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n0.628717 0.628717 0.257433 Ge\n0.371284 0.371283 0.742566 Ge\n",
"nsites": 5,
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"volume": 81.16394091943152,
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"formula_full": "Y1 Ni2 Ge2",
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"spacegroup": 139
},
{
"id": "jvasp-100628",
"created_at": "2022-09-04T14:37:03.587073Z",
"updated_at": "2022-09-04T14:37:03.587101Z",
"structure_string": "Pu2 Te1 O2\n1.0\n3.803185 0.008086 -5.720071\n-0.340396 3.787930 -5.720071\n-0.007376 -0.008086 6.869015\nPu Te O\n2 1 2\ndirect\n0.343912 0.343913 -0.000000 Pu\n0.656086 0.656088 -0.000000 Pu\n0.000000 0.000000 0.000000 Te\n0.749998 0.250000 0.499999 O\n0.249998 0.750000 0.499999 O\n",
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"formula_full": "Pu2 Te1 O2",
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}
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}