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{
"id": "jvasp-50122",
"created_at": "2022-09-04T14:36:43.080222Z",
"updated_at": "2022-09-04T14:36:43.080244Z",
"structure_string": "Li1 Ta2 Cu1 O6\n1.0\n5.206988 0.000341 -0.000045\n2.603287 4.509317 -0.000041\n2.603557 1.503468 4.685312\nLi Ta Cu O\n1 2 1 6\ndirect\n0.213241 0.213292 0.360181 Li\n0.995109 0.995172 0.014586 Ta\n0.500612 0.500636 0.498106 Ta\n0.751404 0.751527 0.745459 Cu\n0.367054 0.767642 0.725703 O\n0.767505 0.139544 0.725776 O\n0.139472 0.367198 0.725753 O\n0.882775 0.625668 0.234295 O\n0.257229 0.882837 0.234268 O\n0.625603 0.257286 0.234278 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:33.863231Z",
"structure_string": "Al2 Ag4\n1.0\n5.057840 -0.061883 0.000000\n-2.582513 4.349276 0.000000\n0.000000 0.000000 4.628089\nAl Ag\n2 4\ndirect\n0.016561 0.016561 0.000000 Al\n0.650237 0.650237 0.500000 Al\n0.682308 0.360827 0.000000 Ag\n0.360827 0.682309 0.000000 Ag\n0.305945 0.984458 0.500000 Ag\n0.984458 0.305945 0.500000 Ag\n",
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{
"id": "jvasp-50375",
"created_at": "2022-09-04T14:36:49.998253Z",
"updated_at": "2022-09-04T14:36:49.998278Z",
"structure_string": "Tb4 Sm4 O12\n1.0\n5.775547 -0.000000 0.000000\n-0.000000 6.048112 0.000000\n0.000000 0.000000 8.518228\nTb Sm O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.980018 0.054589 0.250000 Sm\n0.480018 0.445411 0.750000 Sm\n0.519982 0.554589 0.250000 Sm\n0.019982 0.945411 0.750000 Sm\n0.813341 0.809873 0.078273 O\n0.313341 0.690127 0.578273 O\n0.313341 0.690127 0.921727 O\n0.852984 0.575160 0.750000 O\n0.147017 0.424840 0.250000 O\n0.186659 0.190127 0.578273 O\n0.686660 0.309873 0.421727 O\n0.186659 0.190127 0.921727 O\n0.813341 0.809873 0.421727 O\n0.647017 0.075160 0.750000 O\n0.686660 0.309873 0.078273 O\n0.352983 0.924839 0.250000 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.975536412495946,
"density_atomic": 0.06721524532707157,
"volume": 297.5515435922215,
"volume_molar": 8.95948639433817,
"formula_full": "Tb4 Sm4 O12",
"formula_reduced": "TbSmO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-101684",
"created_at": "2022-09-04T14:36:41.507681Z",
"updated_at": "2022-09-04T14:36:41.507717Z",
"structure_string": "Ti1 In1 Ni2\n1.0\n3.094558 -0.000000 0.000000\n0.000000 3.094558 0.000000\n0.000000 -0.000000 6.089216\nTi In Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.288535 Ni\n0.500000 0.500000 0.711465 Ni\n",
"nsites": 4,
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],
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"volume": 58.312093510821924,
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"formula_full": "Ti1 In1 Ni2",
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"spacegroup": 123
},
{
"id": "jvasp-74399",
"created_at": "2022-09-04T14:35:52.002953Z",
"updated_at": "2022-09-04T14:35:52.002974Z",
"structure_string": "Be1 Pt1 Br2\n1.0\n-2.375312 2.375312 3.357200\n2.375312 -2.375312 3.357200\n2.375312 2.375312 -3.357200\nBe Pt Br\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Pt\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
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"density": 7.97549436732224,
"density_atomic": 0.05279362217079403,
"volume": 75.76672778881311,
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"formula_full": "Be1 Pt1 Br2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-71787",
"created_at": "2022-09-04T14:35:46.571285Z",
"updated_at": "2022-09-04T14:35:46.571312Z",
"structure_string": "Be1 Si2 W1\n1.0\n-1.799241 1.799241 4.004020\n1.799241 -1.799241 4.004020\n1.799241 1.799241 -4.004020\nBe Si W\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
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"W"
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"density_atomic": 0.07714807321124667,
"volume": 51.848346089567386,
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"formula_full": "Be1 Si2 W1",
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"spacegroup": 119
},
{
"id": "jvasp-97983",
"created_at": "2022-09-04T14:35:41.570938Z",
"updated_at": "2022-09-04T14:35:41.570954Z",
"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
"nsites": 14,
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],
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"density_atomic": 0.05237448236516635,
"volume": 267.305744472832,
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"formula_full": "Er6 Fe2 Si6",
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"formula_anonymous": "AB3C3",
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"spacegroup": 12
},
{
"id": "jvasp-118721",
"created_at": "2022-09-04T14:38:53.540565Z",
"updated_at": "2022-09-04T14:38:53.540593Z",
"structure_string": "Mg1 Ta1 O1\n1.0\n4.410099 0.000000 -0.000000\n-2.205049 3.819258 0.000000\n-0.000000 0.000000 2.735216\nMg Ta O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333334 0.000000 Ta\n0.333334 0.666668 0.000000 O\n",
"nsites": 3,
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},
{
"id": "jvasp-98485",
"created_at": "2022-09-04T14:36:05.237111Z",
"updated_at": "2022-09-04T14:36:05.237138Z",
"structure_string": "Ho4 Mn4 O12\n1.0\n5.245049 -0.000000 0.000000\n-0.000000 5.640878 0.000000\n0.000000 0.000000 7.540811\nHo Mn O\n4 4 12\ndirect\n0.980137 0.075561 0.250000 Ho\n0.519865 0.575561 0.250000 Ho\n0.019864 0.924440 0.750000 Ho\n0.480135 0.424441 0.750000 Ho\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.388658 0.963533 0.250000 O\n0.888659 0.536468 0.750000 O\n0.694554 0.309330 0.444072 O\n0.694554 0.309330 0.055927 O\n0.194554 0.190670 0.944073 O\n0.805446 0.809329 0.444072 O\n0.305447 0.690672 0.555927 O\n0.305447 0.690672 0.944073 O\n0.805446 0.809329 0.055927 O\n0.194554 0.190670 0.555927 O\n0.111341 0.463534 0.250000 O\n0.611340 0.036468 0.750000 O\n",
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],
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"density_atomic": 0.08964285566194097,
"volume": 223.1075734068929,
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"spacegroup": 62
},
{
"id": "jvasp-68880",
"created_at": "2022-09-04T14:35:42.716077Z",
"updated_at": "2022-09-04T14:35:42.716093Z",
"structure_string": "Be2 Co1 Bi1\n1.0\n3.078985 0.000000 0.000000\n0.000000 3.078985 0.000000\n-0.000000 0.000000 6.280575\nBe Co Bi\n2 1 1\ndirect\n0.000000 0.000000 0.976886 Be\n0.500001 0.500001 0.164113 Be\n0.500001 0.500001 0.844666 Co\n0.000000 0.000000 0.514333 Bi\n",
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},
{
"id": "jvasp-70327",
"created_at": "2022-09-04T14:36:10.869385Z",
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"structure_string": "Be2 Tl1 Cu1\n1.0\n2.919350 -0.000000 0.000000\n-0.000000 2.919350 -0.000000\n0.000000 -0.000000 6.987013\nBe Tl Cu\n2 1 1\ndirect\n-0.000000 0.000000 0.842056 Be\n-0.000000 0.000000 0.157943 Be\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Cu\n",
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}
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}