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{
"id": "jvasp-112818",
"created_at": "2022-09-04T14:38:43.615381Z",
"updated_at": "2022-09-04T14:38:43.615395Z",
"structure_string": "Na4 Co2 O6\n1.0\n5.107849 -0.007550 0.826778\n-2.753376 4.302220 0.826778\n-0.000898 -0.001638 5.564386\nNa Co O\n4 2 6\ndirect\n0.842967 0.157033 0.500001 Na\n0.157032 0.842967 0.500001 Na\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Na\n0.332752 0.667248 0.000000 Co\n0.667248 0.332752 0.000000 Co\n0.690633 0.690634 0.801164 O\n0.932359 0.553319 0.198111 O\n0.553318 0.932359 0.198111 O\n0.067640 0.446681 0.801890 O\n0.446681 0.067640 0.801890 O\n0.309366 0.309366 0.198837 O\n",
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{
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"structure_string": "V10 O15 F5\n1.0\n4.647460 0.012440 0.000000\n-0.275098 4.639328 0.000000\n-0.000000 -0.000000 14.552857\nV O F\n10 15 5\ndirect\n0.998208 0.001792 0.300106 V\n0.470561 0.529439 0.400713 V\n0.522429 0.477571 -0.000000 V\n0.528641 0.471359 0.199493 V\n0.470561 0.529439 0.599288 V\n0.528641 0.471359 0.800508 V\n0.981680 0.018319 0.099473 V\n0.998208 0.001792 0.699894 V\n0.019526 0.980474 0.500000 V\n0.981680 0.018319 0.900527 V\n0.695785 0.708483 0.500000 O\n0.195646 0.804355 0.400706 O\n0.195646 0.804355 0.599294 O\n0.706155 0.697370 0.899626 O\n0.706155 0.697370 0.100374 O\n0.698439 0.699951 0.300114 O\n0.698439 0.699951 0.699886 O\n0.291518 0.304215 0.500000 O\n0.302630 0.293845 0.100374 O\n0.300049 0.301561 0.300114 O\n0.300049 0.301561 0.699886 O\n0.803400 0.196600 0.199145 O\n0.800730 0.199270 -0.000000 O\n0.803400 0.196600 0.800855 O\n0.302630 0.293845 0.899626 O\n0.203748 0.796252 0.799881 F\n0.793640 0.206360 0.599643 F\n0.793640 0.206360 0.400357 F\n0.203748 0.796252 0.200119 F\n0.204411 0.795589 -0.000000 F\n",
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{
"id": "jvasp-114503",
"created_at": "2022-09-04T14:38:40.710014Z",
"updated_at": "2022-09-04T14:38:40.710033Z",
"structure_string": "Sr1 B2 O3\n1.0\n2.470141 -4.015490 0.000000\n2.470141 4.015490 0.000000\n0.000000 0.000000 4.186161\nSr B O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Sr\n0.667954 0.332046 0.000000 B\n0.332046 0.667954 0.000000 B\n0.171293 0.828708 0.000000 O\n0.828708 0.171293 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"spacegroup": 65
},
{
"id": "jvasp-111687",
"created_at": "2022-09-04T14:38:40.986543Z",
"updated_at": "2022-09-04T14:38:40.986576Z",
"structure_string": "Al12 Fe8 Si4\n1.0\n6.598257 -0.000000 3.809505\n2.199419 6.220896 3.809505\n-0.000000 -0.000000 7.619010\nAl Fe Si\n12 8 4\ndirect\n0.799313 0.799313 0.200688 Al\n0.049313 0.450688 0.450687 Al\n0.049313 0.450688 0.049313 Al\n0.450687 0.049313 0.450687 Al\n0.049313 0.049313 0.450687 Al\n0.450687 0.450688 0.049313 Al\n0.450687 0.049313 0.049313 Al\n0.200687 0.799313 0.799313 Al\n0.200687 0.799313 0.200688 Al\n0.799313 0.200687 0.799313 Al\n0.200687 0.200687 0.799313 Al\n0.799313 0.200687 0.200688 Al\n0.840715 0.840715 0.840715 Fe\n0.840715 0.840715 0.477858 Fe\n0.840715 0.477858 0.840715 Fe\n0.477857 0.840715 0.840715 Fe\n0.409286 0.409286 0.409286 Fe\n0.409286 0.772143 0.409286 Fe\n0.772143 0.409286 0.409286 Fe\n0.409286 0.409286 0.772143 Fe\n0.625000 0.625000 0.125000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
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{
"id": "jvasp-111971",
"created_at": "2022-09-04T14:38:40.967943Z",
"updated_at": "2022-09-04T14:38:40.967970Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.183917 -0.000000 0.000000\n-2.591958 4.489404 -0.000000\n0.000000 -0.000000 10.636523\nNa Fe O\n8 4 12\ndirect\n-0.000000 0.681785 0.750000 Na\n0.318214 0.000000 0.250000 Na\n-0.000000 0.318214 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.318214 0.318214 0.750000 Na\n0.681786 0.000000 0.750000 Na\n0.681786 0.681785 0.250000 Na\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666666 0.000000 Fe\n0.333333 0.666666 0.500000 Fe\n0.666667 0.333333 0.500000 Fe\n0.621639 0.621639 0.598413 O\n-0.000000 0.621639 0.098413 O\n-0.000000 0.621639 0.401587 O\n-0.000000 0.378361 0.598413 O\n-0.000000 0.378361 0.901587 O\n0.378361 0.000000 0.598413 O\n0.378361 0.000000 0.901587 O\n0.621640 0.000000 0.098413 O\n0.621640 0.000000 0.401587 O\n0.378361 0.378361 0.098413 O\n0.378361 0.378361 0.401587 O\n0.621639 0.621639 0.901587 O\n",
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"volume": 247.54058452262288,
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"formula_full": "Na8 Fe4 O12",
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"spacegroup": 193
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{
"id": "jvasp-21687",
"created_at": "2022-09-04T14:38:34.238637Z",
"updated_at": "2022-09-04T14:38:34.238656Z",
"structure_string": "Ca2 Ga6 Ni4\n1.0\n5.182414 0.000000 0.000000\n0.000000 6.097272 -1.299989\n0.000000 0.013515 6.234301\nCa Ga Ni\n2 6 4\ndirect\n0.250000 0.345024 0.345024 Ca\n0.749999 0.654976 0.654976 Ca\n0.749999 0.464392 0.096602 Ga\n0.749999 0.096603 0.464392 Ga\n0.250000 0.535608 0.903397 Ga\n0.749999 0.046560 0.046560 Ga\n0.250000 0.953441 0.953440 Ga\n0.250000 0.903398 0.535608 Ga\n0.500000 0.787803 0.212196 Ni\n0.000000 0.787803 0.212196 Ni\n0.000000 0.212197 0.787803 Ni\n0.500000 0.212197 0.787803 Ni\n",
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{
"id": "jvasp-54522",
"created_at": "2022-09-04T14:38:31.951124Z",
"updated_at": "2022-09-04T14:38:31.951144Z",
"structure_string": "Sm12 Si8 Ni4\n1.0\n4.197630 0.000000 0.000000\n0.000000 11.415697 0.000000\n0.000000 0.000000 11.550087\nSm Si Ni\n12 8 4\ndirect\n0.250000 0.376900 0.058194 Sm\n0.750000 0.941183 0.117554 Sm\n0.250000 0.123100 0.558194 Sm\n0.750000 0.301688 0.786312 Sm\n0.250000 0.441183 0.382446 Sm\n0.250000 0.801688 0.713688 Sm\n0.250000 0.058817 0.882446 Sm\n0.750000 0.623100 0.941806 Sm\n0.250000 0.698313 0.213688 Sm\n0.750000 0.198313 0.286312 Sm\n0.750000 0.558817 0.617554 Sm\n0.750000 0.876901 0.441806 Sm\n0.750000 0.312672 0.526050 Si\n0.750000 0.187328 0.026049 Si\n0.250000 0.006990 0.302576 Si\n0.750000 0.506991 0.197424 Si\n0.750000 0.993010 0.697425 Si\n0.250000 0.812672 0.973951 Si\n0.250000 0.493010 0.802576 Si\n0.250000 0.687328 0.473951 Si\n0.250000 0.364199 0.629692 Ni\n0.250000 0.135801 0.129691 Ni\n0.750000 0.864200 0.870309 Ni\n0.750000 0.635801 0.370309 Ni\n",
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{
"id": "jvasp-26224",
"created_at": "2022-09-04T14:38:31.191796Z",
"updated_at": "2022-09-04T14:38:31.191812Z",
"structure_string": "Na12 In8 Au4\n1.0\n8.331505 -0.000000 4.810197\n2.777168 7.855017 4.810197\n-0.000000 -0.000000 9.620392\nNa In Au\n12 8 4\ndirect\n0.420696 0.829305 0.829304 Na\n0.829304 0.420696 0.829305 Na\n0.829304 0.829305 0.420696 Na\n0.420696 0.420696 0.829304 Na\n0.420696 0.829305 0.420696 Na\n0.170696 0.579304 0.170696 Na\n0.579304 0.170696 0.579304 Na\n0.579304 0.170696 0.170696 Na\n0.170696 0.170696 0.579304 Na\n0.579304 0.579304 0.170696 Na\n0.829304 0.420696 0.420696 Na\n0.170696 0.579304 0.579304 Na\n0.790077 0.790078 0.790078 In\n0.209923 0.870234 0.209923 In\n0.870233 0.209923 0.209923 In\n0.790077 0.129767 0.790078 In\n0.129767 0.790078 0.790077 In\n0.790077 0.790078 0.129767 In\n0.209922 0.209923 0.209923 In\n0.209922 0.209923 0.870233 In\n0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:38:41.215398Z",
"updated_at": "2022-09-04T14:38:41.215415Z",
"structure_string": "Mg4 Nb2 N6\n1.0\n5.227495 0.005799 2.236486\n1.576906 4.983986 2.236486\n0.006352 0.004658 5.740155\nMg Nb N\n4 2 6\ndirect\n0.754382 0.915862 0.077216 Mg\n0.084139 0.245620 0.422784 Mg\n0.245619 0.084140 0.922783 Mg\n0.915862 0.754381 0.577216 Mg\n0.410700 0.589301 0.750000 Nb\n0.589301 0.410700 0.250000 Nb\n0.096410 0.903591 0.750000 N\n0.903591 0.096410 0.250000 N\n0.729148 0.587464 0.424455 N\n0.412538 0.270853 0.075545 N\n0.270853 0.412538 0.575545 N\n0.587463 0.729148 0.924454 N\n",
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{
"id": "jvasp-11392",
"created_at": "2022-09-04T14:38:31.743768Z",
"updated_at": "2022-09-04T14:38:31.743786Z",
"structure_string": "Na6 Au2 S4\n1.0\n6.425425 0.009440 3.003612\n1.915335 6.133325 3.003612\n0.012818 0.009440 7.092785\nNa Au S\n6 2 4\ndirect\n0.965166 0.534833 0.250000 Na\n0.250001 0.965166 0.534833 Na\n0.534834 0.250000 0.965165 Na\n0.034834 0.465166 0.749999 Na\n0.750000 0.034834 0.465166 Na\n0.465167 0.749999 0.034833 Na\n0.500000 0.500000 0.499999 Au\n0.000000 0.000000 0.000000 Au\n0.639219 0.639218 0.639218 S\n0.860782 0.860781 0.860781 S\n0.139218 0.139218 0.139218 S\n0.360782 0.360781 0.360781 S\n",
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{
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"created_at": "2022-09-04T14:38:41.045006Z",
"updated_at": "2022-09-04T14:38:41.045032Z",
"structure_string": "Y4 Ga2 N6\n1.0\n6.534631 0.016716 -0.000000\n-3.124138 5.557350 0.000000\n-0.000000 -0.000000 5.074894\nY Ga N\n4 2 6\ndirect\n0.318597 0.342075 0.448718 Y\n0.681403 0.023477 0.448718 Y\n0.681403 0.657926 0.948718 Y\n0.318597 0.976523 0.948718 Y\n-0.000000 0.663322 0.476892 Ga\n-0.000000 0.336678 0.976892 Ga\n0.306664 0.331010 0.917735 N\n0.693336 0.024348 0.917735 N\n0.693336 0.668990 0.417736 N\n0.306664 0.975653 0.417736 N\n-0.000000 0.627143 0.862197 N\n-0.000000 0.372857 0.362198 N\n",
"nsites": 12,
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{
"id": "jvasp-110537",
"created_at": "2022-09-04T14:38:39.257183Z",
"updated_at": "2022-09-04T14:38:39.257207Z",
"structure_string": "Ta3 Co2 Mo1\n1.0\n4.832128 0.007577 3.685027\n2.946635 3.829077 1.231941\n0.000522 -0.001058 4.916968\nTa Co Mo\n3 2 1\ndirect\n0.841442 0.158558 0.841443 Ta\n0.660195 0.660400 0.339602 Ta\n0.339600 0.339804 0.660197 Ta\n0.749739 0.750261 0.749741 Co\n0.249740 0.250260 0.249740 Co\n0.159279 0.840720 0.159281 Mo\n",
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}
]
}