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{
"id": "jvasp-19027",
"created_at": "2022-09-04T14:37:43.872276Z",
"updated_at": "2022-09-04T14:37:43.872301Z",
"structure_string": "Ag12 Au4 Se8\n1.0\n8.205835 -0.000000 -2.901201\n-4.102917 7.106461 -2.901201\n0.000000 0.000000 8.703602\nAg Au Se\n12 4 8\ndirect\n0.250000 0.128511 0.878511 Ag\n0.878510 0.128511 0.750000 Ag\n0.371489 0.250000 0.621489 Ag\n0.621489 0.750000 0.371489 Ag\n0.878510 0.250000 0.128511 Ag\n0.128510 0.878511 0.250000 Ag\n0.128510 0.750000 0.878510 Ag\n0.621489 0.371489 0.250000 Ag\n0.749999 0.878511 0.128511 Ag\n0.371489 0.621489 0.750000 Ag\n0.250000 0.621489 0.371489 Ag\n0.749999 0.371489 0.621489 Ag\n-0.000000 0.250000 0.500000 Au\n0.500000 0.000000 0.250000 Au\n0.250000 0.250000 0.250000 Au\n0.250000 0.500000 -0.000000 Au\n-0.000000 0.538587 0.500000 Se\n0.500000 0.000000 0.538586 Se\n0.961413 0.500000 -0.000000 Se\n0.500000 -0.000000 0.961413 Se\n-0.000000 0.961413 0.500000 Se\n0.538586 0.538587 0.538586 Se\n0.538586 0.500000 -0.000000 Se\n0.961412 0.961413 0.961413 Se\n",
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{
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"structure_string": "Be1 Zn1 Cl1\n1.0\n4.702437 -0.000000 -0.000000\n-2.351218 4.072429 -0.000000\n0.000000 -0.000000 2.852537\nBe Zn Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Cl\n",
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{
"id": "jvasp-123669",
"created_at": "2022-09-04T14:38:52.596298Z",
"updated_at": "2022-09-04T14:38:52.596327Z",
"structure_string": "Hg1 Se2\n1.0\n2.454608 -3.768489 -0.597334\n2.036305 3.526982 -0.000000\n-0.764608 0.441446 5.224453\nHg Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Hg\n0.782240 0.724444 0.450446 Se\n0.217760 -0.057796 0.882888 Se\n",
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"elements": [
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"volume": 83.17351168294321,
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"formula_full": "Hg1 Se2",
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"spacegroup": 12
},
{
"id": "jvasp-94235",
"created_at": "2022-09-04T14:36:06.184906Z",
"updated_at": "2022-09-04T14:36:06.184917Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.120377 0.161971 0.000000\n-2.919917 5.057443 0.000000\n0.000000 0.000000 4.793286\nMg V Fe\n6 1 1\ndirect\n0.653503 0.327315 0.250000 Mg\n0.653502 0.826185 0.250000 Mg\n0.327864 0.163577 0.750001 Mg\n0.327864 0.664286 0.750001 Mg\n0.868646 0.184323 0.750001 Mg\n0.855183 0.677592 0.750001 Mg\n0.152113 0.826056 0.250000 V\n0.161323 0.330660 0.250000 Fe\n",
"nsites": 8,
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"density": 2.7847283662225326,
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"volume": 150.6357216760715,
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"formula_full": "Mg6 V1 Fe1",
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"spacegroup": 38
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{
"id": "jvasp-11341",
"created_at": "2022-09-04T14:37:19.208943Z",
"updated_at": "2022-09-04T14:37:19.208962Z",
"structure_string": "Ca1 Cr2 F12\n1.0\n4.909218 -0.143474 0.762262\n-2.591518 4.799642 0.878888\n1.123304 -0.116163 8.912372\nCa Cr F\n1 2 12\ndirect\n0.500000 0.000001 0.500000 Ca\n0.011728 0.751550 0.225913 Cr\n-0.011729 0.248451 0.774087 Cr\n0.227830 0.707422 0.053644 F\n0.198742 0.205646 0.579106 F\n0.634062 0.554940 0.206987 F\n0.618942 0.065765 0.725751 F\n0.076724 0.073764 0.132012 F\n0.061325 0.575762 0.652824 F\n0.365938 0.445061 0.793013 F\n0.381058 0.934236 0.274248 F\n0.772170 0.292579 0.946356 F\n0.801258 0.794355 0.420894 F\n0.923276 0.926237 0.867987 F\n0.938675 0.424239 0.347176 F\n",
"nsites": 15,
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{
"id": "jvasp-93122",
"created_at": "2022-09-04T14:35:57.180341Z",
"updated_at": "2022-09-04T14:35:57.180359Z",
"structure_string": "La1 Mg6 Mo1\n1.0\n6.707402 0.433664 0.000000\n-2.978136 5.158283 0.000000\n0.000000 0.000000 5.112844\nLa Mg Mo\n1 6 1\ndirect\n0.140158 0.320078 0.250000 La\n0.644772 0.323403 0.250000 Mg\n0.644771 0.821366 0.250000 Mg\n0.342093 0.157859 0.749999 Mg\n0.342092 0.684235 0.749999 Mg\n0.806222 0.153111 0.749999 Mg\n0.901544 0.700772 0.749999 Mg\n0.178344 0.839170 0.250000 Mo\n",
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"volume": 183.50093278917026,
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"formula_full": "La1 Mg6 Mo1",
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"spacegroup": 38
},
{
"id": "jvasp-110119",
"created_at": "2022-09-04T14:37:59.950639Z",
"updated_at": "2022-09-04T14:37:59.950671Z",
"structure_string": "Zn4 Fe1 Se5\n1.0\n4.008196 0.001508 16.186967\n1.975559 3.487522 16.186967\n0.002587 0.001508 16.675836\nZn Fe Se\n4 1 5\ndirect\n0.399741 0.399740 0.399740 Zn\n0.800013 0.800012 0.800011 Zn\n0.200221 0.200220 0.200220 Zn\n0.600467 0.600466 0.600465 Zn\n-0.000314 -0.000314 -0.000314 Fe\n0.049119 0.049119 0.049119 Se\n0.449809 0.449809 0.449808 Se\n0.850041 0.850040 0.850038 Se\n0.250256 0.250256 0.250256 Se\n0.650654 0.650654 0.650652 Se\n",
"nsites": 10,
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"Fe",
"Se"
],
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"density": 5.079303261685546,
"density_atomic": 0.04294411786242807,
"volume": 232.8607617936199,
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"formula_full": "Zn4 Fe1 Se5",
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"formula_anonymous": "AB4C5",
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"spacegroup": 160
},
{
"id": "jvasp-48001",
"created_at": "2022-09-04T14:36:19.740870Z",
"updated_at": "2022-09-04T14:36:19.740886Z",
"structure_string": "Li4 Mn2 F8\n1.0\n3.251595 0.000000 0.000000\n0.000000 8.605237 0.000000\n0.000000 0.000000 8.616459\nLi Mn F\n4 2 8\ndirect\n0.000000 0.258206 0.988361 Li\n0.000000 0.234573 0.487986 Li\n0.000000 0.758206 0.011639 Li\n0.000000 0.734573 0.512014 Li\n0.499999 0.996211 0.249973 Mn\n0.499999 0.496210 0.750027 Mn\n0.000000 0.110344 0.136082 F\n0.499999 0.169634 0.423026 F\n0.499999 0.323073 0.923347 F\n0.000000 0.382110 0.636064 F\n0.000000 0.610344 0.863918 F\n0.499999 0.669635 0.576974 F\n0.499999 0.823073 0.076653 F\n0.000000 0.882110 0.363936 F\n",
"nsites": 14,
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"volume": 241.09494727780907,
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"formula_full": "Li4 Mn2 F8",
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"spacegroup": 127
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{
"id": "jvasp-115609",
"created_at": "2022-09-04T14:38:44.305122Z",
"updated_at": "2022-09-04T14:38:44.305151Z",
"structure_string": "Ca1 Be1 Br1\n1.0\n5.286481 0.000000 -0.000000\n-2.643240 4.578227 0.000000\n0.000000 -0.000000 3.592553\nCa Be Br\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Be\n0.333334 0.666667 0.000000 Br\n",
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},
{
"id": "jvasp-105845",
"created_at": "2022-09-04T14:36:11.743160Z",
"updated_at": "2022-09-04T14:36:11.743183Z",
"structure_string": "Pm1 Nd1 In2\n1.0\n4.710380 -0.000000 2.719539\n1.570127 4.440989 2.719539\n0.000000 0.000000 5.439078\nPm Nd In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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{
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"created_at": "2022-09-04T14:37:51.771097Z",
"updated_at": "2022-09-04T14:37:51.771117Z",
"structure_string": "Li3 Ag1\n1.0\n0.000000 3.190964 3.190964\n3.190964 0.000000 3.190964\n3.190964 3.190964 -0.000000\nLi Ag\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499998 0.499998 0.499998 Li\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Ag\n",
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{
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"created_at": "2022-09-04T14:38:32.738124Z",
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"structure_string": "Li3 Ag1\n1.0\n-2.104178 2.104178 3.666682\n2.104178 -2.104178 3.666682\n2.104178 2.104178 -3.666682\nLi Ag\n3 1\ndirect\n0.250000 0.750001 0.500002 Li\n0.750001 0.250000 0.500002 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ag\n",
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