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{
"id": "jvasp-108922",
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{
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{
"id": "jvasp-59538",
"created_at": "2022-09-04T14:37:12.752818Z",
"updated_at": "2022-09-04T14:37:12.752847Z",
"structure_string": "Fe12 As5\n1.0\n5.813247 0.003258 3.246266\n1.906831 5.491616 3.246266\n0.004577 0.003259 6.658233\nFe As\n12 5\ndirect\n0.118231 0.589907 0.354042 Fe\n0.858185 0.077432 0.369640 Fe\n0.630688 0.849951 0.338509 Fe\n0.849950 0.338510 0.630688 Fe\n0.854069 0.854070 0.854069 Fe\n0.469980 0.469980 0.469980 Fe\n0.338509 0.630689 0.849950 Fe\n0.369640 0.858185 0.077432 Fe\n0.077432 0.369640 0.858184 Fe\n0.354042 0.118232 0.589907 Fe\n0.589907 0.354043 0.118232 Fe\n0.238138 0.238139 0.238138 Fe\n0.709993 0.709994 0.709992 As\n0.202501 0.854053 0.505639 As\n0.854052 0.505640 0.202501 As\n0.505639 0.202502 0.854051 As\n0.998144 0.998145 0.998143 As\n",
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"formula_full": "Fe12 As5",
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{
"id": "jvasp-86586",
"created_at": "2022-09-04T14:35:51.681970Z",
"updated_at": "2022-09-04T14:35:51.682001Z",
"structure_string": "Sr2 Co1 W1 O6\n1.0\n4.886976 0.018504 2.782278\n1.645978 4.572167 2.792397\n-0.012052 -0.003307 5.591343\nSr Co W O\n2 1 1 6\ndirect\n0.248768 0.249967 0.252687 Sr\n0.751234 0.750032 0.747313 Sr\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 W\n0.206268 0.788158 0.725936 O\n0.793735 0.211841 0.274064 O\n0.707075 0.260059 0.806980 O\n0.292927 0.739941 0.193020 O\n0.225776 0.259277 0.738437 O\n0.774225 0.740722 0.261562 O\n",
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"elements": [
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],
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"volume": 124.94574025622026,
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"formula_full": "Sr2 Co1 W1 O6",
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"spacegroup": 2
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{
"id": "jvasp-35151",
"created_at": "2022-09-04T14:38:29.726774Z",
"updated_at": "2022-09-04T14:38:29.726800Z",
"structure_string": "He4 Si4 O8\n1.0\n4.890047 -0.046656 7.738635\n2.205065 4.364908 7.738635\n-0.076659 -0.046656 9.153860\nHe Si O\n4 4 8\ndirect\n0.681382 0.681380 0.681380 He\n0.318620 0.318619 0.318619 He\n0.181381 0.181380 0.181380 He\n0.818621 0.818618 0.818618 He\n0.937632 0.937629 0.937629 Si\n0.062370 0.062370 0.062370 Si\n0.437631 0.437630 0.437630 Si\n0.562371 0.562369 0.562369 Si\n0.000000 0.000000 0.000000 O\n0.500001 0.499999 0.499999 O\n0.683218 0.249999 0.816783 O\n0.250001 0.816782 0.683216 O\n0.816784 0.683217 0.249999 O\n0.316784 0.750000 0.183216 O\n0.750001 0.183216 0.316782 O\n0.183218 0.316782 0.750000 O\n",
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"formula_full": "He4 Si4 O8",
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{
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"created_at": "2022-09-04T14:37:11.198967Z",
"updated_at": "2022-09-04T14:37:11.198988Z",
"structure_string": "Re2 Sb2 O12\n1.0\n0.000000 5.119646 0.000254\n7.302315 0.000000 0.000000\n0.000000 -0.001843 -5.347504\nRe Sb O\n2 2 12\ndirect\n0.500000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.681269 0.556717 0.706997 O\n0.799531 0.942752 0.186433 O\n0.318732 0.056717 0.293003 O\n0.200470 0.442752 0.813567 O\n0.799531 0.557247 0.186433 O\n0.200470 0.057248 0.813567 O\n0.133565 0.749999 0.526889 O\n0.681269 0.943282 0.706997 O\n0.605732 0.250000 0.978735 O\n0.318732 0.443283 0.293003 O\n0.866436 0.250000 0.473111 O\n0.394269 0.749999 0.021265 O\n",
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"formula_full": "Re2 Sb2 O12",
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{
"id": "jvasp-20084",
"created_at": "2022-09-04T14:36:42.936493Z",
"updated_at": "2022-09-04T14:36:42.936517Z",
"structure_string": "B2 W4\n1.0\n4.452906 0.020152 -1.241390\n-2.563198 3.641263 -1.241390\n-0.010400 -0.020152 4.622695\nB W\n2 4\ndirect\n0.750000 0.749999 -0.000000 B\n0.250000 0.250000 -0.000000 B\n0.829661 0.670338 0.500000 W\n0.329661 0.829661 0.159322 W\n0.170339 0.329661 0.500000 W\n0.670339 0.170339 0.840679 W\n",
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"elements": [
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],
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"volume": 74.96982005144976,
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{
"id": "jvasp-112556",
"created_at": "2022-09-04T14:38:40.701478Z",
"updated_at": "2022-09-04T14:38:40.701496Z",
"structure_string": "Na2 Cd4 Si6 O18\n1.0\n6.842048 0.010690 -1.502120\n-0.186487 6.960511 -0.621067\n-0.014842 -0.007443 7.874888\nNa Cd Si O\n2 4 6 18\ndirect\n0.262450 0.350278 0.565957 Na\n0.737550 0.649722 0.434043 Na\n0.589120 0.149714 0.858295 Cd\n0.410880 0.850286 0.141704 Cd\n0.086405 0.137747 0.851068 Cd\n0.913595 0.862253 0.148932 Cd\n0.735871 0.147416 0.456576 Si\n0.264129 0.852584 0.543424 Si\n0.952500 0.348203 0.217170 Si\n0.405054 0.341755 0.220168 Si\n0.594946 0.658245 0.779832 Si\n0.047500 0.651797 0.782830 Si\n0.210565 0.878124 0.336232 O\n0.848442 0.550906 0.175839 O\n0.151558 0.449095 0.824161 O\n0.497487 0.547532 0.191172 O\n0.502513 0.452468 0.808828 O\n0.708745 0.945899 0.332619 O\n0.291255 0.054101 0.667381 O\n0.789435 0.121876 0.663768 O\n0.107953 0.823990 0.939717 O\n0.091358 0.716299 0.595983 O\n0.533298 0.274212 0.408374 O\n0.466702 0.725788 0.591626 O\n0.892047 0.176010 0.060283 O\n0.809234 0.612481 0.732976 O\n0.389586 0.168414 0.065498 O\n0.610414 0.831586 0.934502 O\n0.908642 0.283701 0.404017 O\n0.190766 0.387519 0.267024 O\n",
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{
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"updated_at": "2022-09-04T14:38:36.073017Z",
"structure_string": "Ca4 Cu2 Sb2 O12\n1.0\n0.000000 5.742770 0.117843\n7.490929 0.000000 0.000000\n0.000000 -1.422032 -5.838508\nCa Cu Sb O\n4 2 2 12\ndirect\n0.465347 0.750000 0.418653 Ca\n0.534653 0.250000 0.581348 Ca\n0.936689 0.750000 0.954907 Ca\n0.063312 0.250000 0.045094 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.349779 0.538978 0.686477 O\n0.570415 0.750000 0.059804 O\n0.650221 0.038978 0.313524 O\n0.097430 0.250000 0.442497 O\n0.127003 0.945748 0.233547 O\n0.872997 0.054252 0.766454 O\n0.127003 0.554252 0.233547 O\n0.349779 0.961022 0.686477 O\n0.902571 0.750000 0.557504 O\n0.650221 0.461022 0.313524 O\n0.872997 0.445748 0.766454 O\n0.429586 0.250000 0.940197 O\n",
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{
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"created_at": "2022-09-04T14:38:03.449374Z",
"updated_at": "2022-09-04T14:38:03.449395Z",
"structure_string": "Li4 Dy4 O8\n1.0\n3.381221 -0.000000 0.000000\n-0.000000 5.280496 0.000000\n0.000000 0.000000 11.197631\nLi Dy O\n4 4 8\ndirect\n0.250000 0.095665 0.066329 Li\n0.250000 0.404335 0.566329 Li\n0.750000 0.595666 0.433671 Li\n0.750000 0.904335 0.933671 Li\n0.250000 0.045539 0.359764 Dy\n0.250000 0.454462 0.859764 Dy\n0.750000 0.545539 0.140236 Dy\n0.750000 0.954462 0.640236 Dy\n0.250000 0.196223 0.704370 O\n0.750000 0.243061 0.473134 O\n0.750000 0.256940 0.973134 O\n0.250000 0.303778 0.204370 O\n0.750000 0.696223 0.795630 O\n0.250000 0.743061 0.026866 O\n0.250000 0.756940 0.526866 O\n0.750000 0.803778 0.295630 O\n",
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},
{
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"created_at": "2022-09-04T14:37:09.131645Z",
"updated_at": "2022-09-04T14:37:09.131656Z",
"structure_string": "Ca2 Ti2 F8\n1.0\n5.320383 0.000737 -0.002775\n-0.000735 5.320386 -0.005653\n-2.657064 -2.654774 5.301575\nCa Ti F\n2 2 8\ndirect\n0.250565 0.249645 0.498893 Ca\n0.750571 0.749641 0.498894 Ca\n0.500565 -0.000367 -0.001111 Ti\n0.000565 0.499628 -0.001106 Ti\n0.869729 0.868739 0.237166 F\n0.631431 0.630516 0.760646 F\n0.131453 0.130514 0.760652 F\n0.631429 0.130495 0.760601 F\n0.369693 0.368817 0.237172 F\n0.869660 0.368722 0.237124 F\n0.369714 0.868801 0.237141 F\n0.131422 0.630499 0.760620 F\n",
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"volume": 149.94992036146093,
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"formula_full": "Ca2 Ti2 F8",
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{
"id": "jvasp-101721",
"created_at": "2022-09-04T14:37:08.258309Z",
"updated_at": "2022-09-04T14:37:08.258344Z",
"structure_string": "Fe3 Ni3 Pt2\n1.0\n3.678444 0.000000 0.000000\n0.000000 3.706050 0.000000\n0.000000 0.000000 7.333158\nFe Ni Pt\n3 3 2\ndirect\n0.499999 0.500000 0.250356 Fe\n0.499999 0.500000 0.749644 Fe\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Ni\n0.499999 0.000000 0.500000 Ni\n0.499999 0.000000 -0.000000 Ni\n0.000000 0.000000 0.248907 Pt\n0.000000 0.000000 0.751093 Pt\n",
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}
]
}