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{
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{
"id": "jvasp-99374",
"created_at": "2022-09-04T14:36:04.767654Z",
"updated_at": "2022-09-04T14:36:04.767674Z",
"structure_string": "Ho2 Zn1 Hg1\n1.0\n4.426640 -0.000000 2.555722\n1.475547 4.173477 2.555722\n-0.000000 -0.000000 5.111444\nHo Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ho\n0.750000 0.750001 0.749998 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Hg\n",
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{
"id": "jvasp-20951",
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"structure_string": "Ba2 Ta2 S6\n1.0\n3.454258 -5.982951 -0.000000\n3.454258 5.982951 -0.000000\n0.000000 0.000000 5.711403\nBa Ta S\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.171005 0.342010 0.750000 S\n0.342010 0.171005 0.250000 S\n0.657991 0.828996 0.750000 S\n0.828995 0.171005 0.250000 S\n0.828996 0.657991 0.250000 S\n0.171005 0.828995 0.750000 S\n",
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{
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"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.379793 0.020761 -4.232836\n-1.230530 5.114258 -4.380601\n0.043268 -0.020761 6.845232\nGa Ag Se S\n2 2 2 2\ndirect\n0.126631 0.376631 0.750000 Ga\n0.373369 0.123369 0.250000 Ga\n0.644623 0.894624 0.750000 Ag\n0.855376 0.605377 0.249999 Ag\n0.250000 0.018786 0.768786 Se\n0.750000 0.481214 0.731213 Se\n0.456041 0.750000 0.206041 S\n0.043959 0.250000 0.293959 S\n",
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"elements": [
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"density_atomic": 0.042362222135143006,
"volume": 188.84750602738876,
"volume_molar": 14.215828293398545,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
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"spacegroup": 24
},
{
"id": "jvasp-55277",
"created_at": "2022-09-04T14:38:14.384989Z",
"updated_at": "2022-09-04T14:38:14.385009Z",
"structure_string": "Ca4 Y8 S16\n1.0\n3.891924 0.000000 0.000000\n0.000000 12.963118 0.000000\n0.000000 0.000000 13.099409\nCa Y S\n4 8 16\ndirect\n0.749999 0.630375 0.417872 Ca\n0.250000 0.369625 0.582128 Ca\n0.749999 0.130375 0.082128 Ca\n0.250000 0.869625 0.917872 Ca\n0.749999 0.854018 0.203000 Y\n0.250000 0.145982 0.797000 Y\n0.250000 0.645982 0.703000 Y\n0.749999 0.354018 0.297000 Y\n0.749999 0.392132 0.916210 Y\n0.250000 0.107868 0.416210 Y\n0.749999 0.892132 0.583790 Y\n0.250000 0.607868 0.083790 Y\n0.250000 0.533967 0.882492 S\n0.250000 0.217582 0.236092 S\n0.749999 0.782418 0.763908 S\n0.749999 0.966033 0.382492 S\n0.250000 0.033967 0.617508 S\n0.749999 0.466033 0.117508 S\n0.250000 0.756332 0.524885 S\n0.749999 0.028397 0.882704 S\n0.250000 0.256332 0.975115 S\n0.749999 0.743668 0.024885 S\n0.749999 0.528397 0.617296 S\n0.250000 0.471603 0.382704 S\n0.749999 0.282418 0.736092 S\n0.250000 0.971603 0.117296 S\n0.749999 0.243668 0.475115 S\n0.250000 0.717582 0.263908 S\n",
"nsites": 28,
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"elements": [
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"formula_full": "Ca4 Y8 S16",
"formula_reduced": "Ca(YS2)2",
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{
"id": "jvasp-36156",
"created_at": "2022-09-04T14:37:29.128845Z",
"updated_at": "2022-09-04T14:37:29.128875Z",
"structure_string": "Dy2 Au2\n1.0\n-3.729538 0.000000 0.000000\n0.000000 -0.000000 -4.629805\n-1.864769 -5.467707 -0.000000\nDy Au\n2 2\ndirect\n0.138206 0.750001 0.723587 Dy\n0.861794 0.250000 0.276414 Dy\n0.409303 0.750001 0.181395 Au\n0.590698 0.250000 0.818606 Au\n",
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"volume": 94.41108092186384,
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{
"id": "jvasp-101581",
"created_at": "2022-09-04T14:36:48.518237Z",
"updated_at": "2022-09-04T14:36:48.518246Z",
"structure_string": "Li1 Pr2 Ir1\n1.0\n4.426298 -0.000000 2.555524\n1.475433 4.173154 2.555524\n-0.000000 -0.000000 5.111049\nLi Pr Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Pr\n0.750000 0.749999 0.749999 Pr\n0.500000 0.500000 0.499999 Ir\n",
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"volume": 94.40937130462902,
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"formula_full": "Li1 Pr2 Ir1",
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{
"id": "jvasp-85336",
"created_at": "2022-09-04T14:35:45.202620Z",
"updated_at": "2022-09-04T14:35:45.202650Z",
"structure_string": "Eu1 Mn2 Sb2\n1.0\n4.317791 -0.000000 0.000000\n-2.158895 3.739317 0.000000\n0.000000 0.000000 7.308843\nEu Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.384296 Mn\n0.333332 0.666668 0.615703 Mn\n0.666667 0.333333 0.744159 Sb\n0.333332 0.666668 0.255840 Sb\n",
"nsites": 5,
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-71589",
"created_at": "2022-09-04T14:35:45.295593Z",
"updated_at": "2022-09-04T14:35:45.295628Z",
"structure_string": "Be1 Sn2 Se1\n1.0\n3.313559 -0.000000 0.000000\n0.000000 3.313559 0.000000\n0.000000 -0.000000 8.597572\nBe Sn Se\n1 2 1\ndirect\n0.000000 0.000000 0.662875 Be\n0.000000 0.000000 0.970862 Sn\n0.500000 0.500000 0.247992 Sn\n0.500000 0.500000 0.618271 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-118729",
"created_at": "2022-09-04T14:38:28.491823Z",
"updated_at": "2022-09-04T14:38:28.491847Z",
"structure_string": "Mg3 Se1\n1.0\n3.574600 -0.654348 -0.471170\n-1.264844 -5.039177 -1.156263\n1.276608 -6.667753 -6.793557\nMg Se\n3 1\ndirect\n0.762237 0.056109 0.078467 Mg\n0.070544 0.307788 0.254530 Mg\n0.128884 0.058835 0.681569 Mg\n0.591358 0.349137 0.735026 Se\n",
"nsites": 4,
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"spacegroup": 5
},
{
"id": "jvasp-12728",
"created_at": "2022-09-04T14:37:10.626052Z",
"updated_at": "2022-09-04T14:37:10.626077Z",
"structure_string": "Hg2 P2 S7\n1.0\n5.904870 -0.000000 -0.000000\n-2.952436 5.365983 -1.286699\n-0.000000 0.035127 8.183459\nHg P S\n2 2 7\ndirect\n0.789854 0.575549 0.799376 Hg\n0.214304 0.424451 0.200624 Hg\n0.909561 0.825423 0.293979 P\n0.084139 0.174577 0.706021 P\n0.211554 0.947446 0.761944 S\n0.264109 0.052554 0.238056 S\n0.886636 0.516254 0.356472 S\n0.370382 0.483746 0.643528 S\n0.779288 0.000000 0.500000 S\n0.626864 0.751158 0.108311 S\n0.875706 0.248842 0.891689 S\n",
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"density": 4.398763414551445,
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"volume": 259.5633215545102,
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{
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"created_at": "2022-09-04T14:38:15.427345Z",
"updated_at": "2022-09-04T14:38:15.427376Z",
"structure_string": "K2 Zn3 Si1 As4\n1.0\n7.668713 0.057223 0.000000\n-5.528445 5.314954 0.000000\n0.000000 0.000000 5.744573\nK Zn Si As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.255074 K\n0.000000 0.500000 0.744925 K\n0.500000 0.499999 0.500000 Zn\n0.500000 0.499999 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.657218 0.874774 0.766357 As\n0.125225 0.342781 0.233642 As\n0.874774 0.657218 0.233642 As\n0.342781 0.125225 0.766357 As\n",
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"volume": 235.95954832368542,
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"formula_full": "K2 Zn3 Si1 As4",
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{
"id": "jvasp-40290",
"created_at": "2022-09-04T14:37:52.609231Z",
"updated_at": "2022-09-04T14:37:52.609253Z",
"structure_string": "Sm1 Mg1 Hg2\n1.0\n-0.000000 3.613668 3.613668\n3.613668 -0.000000 3.613668\n3.613668 3.613668 0.000000\nSm Mg Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sm\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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}