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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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"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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{
"id": "jvasp-11525",
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"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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"volume": 199.91786557886712,
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"formula_full": "Re2 Sb2 O12",
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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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{
"id": "jvasp-86586",
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"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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{
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"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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{
"id": "jvasp-91421",
"created_at": "2022-09-04T14:35:50.752816Z",
"updated_at": "2022-09-04T14:35:50.752842Z",
"structure_string": "Yb4 Se4 O12 F4\n1.0\n6.498913 0.000000 -0.441467\n0.000000 6.838090 0.000000\n0.501159 0.000000 6.713239\nYb Se O F\n4 4 12 4\ndirect\n0.132522 0.176589 0.868261 Yb\n0.132522 0.323411 0.368261 Yb\n0.867478 0.823411 0.131739 Yb\n0.867478 0.676589 0.631739 Yb\n0.670348 0.360922 0.187068 Se\n0.329652 0.860922 0.312931 Se\n0.329652 0.639078 0.812932 Se\n0.670348 0.139078 0.687068 Se\n0.804055 0.968576 0.818124 O\n0.860699 0.302102 0.641260 O\n0.491307 0.763389 0.136267 O\n0.508693 0.263389 0.363733 O\n0.195945 0.468576 0.681876 O\n0.860699 0.197898 0.141259 O\n0.139301 0.697898 0.358740 O\n0.804055 0.531424 0.318124 O\n0.139301 0.802102 0.858740 O\n0.195945 0.031424 0.181875 O\n0.491307 0.736611 0.636267 O\n0.508693 0.236611 0.863733 O\n0.786101 0.925467 0.430425 F\n0.213899 0.074533 0.569575 F\n0.786101 0.574533 0.930425 F\n0.213899 0.425467 0.069575 F\n",
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{
"id": "jvasp-108922",
"created_at": "2022-09-04T14:38:10.405006Z",
"updated_at": "2022-09-04T14:38:10.405037Z",
"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
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{
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"updated_at": "2022-09-04T14:38:45.162879Z",
"structure_string": "Sr2 Ca2 Ni2 P4 O16\n1.0\n5.534365 0.023110 -1.127025\n-1.504257 6.297415 -2.261725\n0.056290 0.017548 9.292460\nSr Ca Ni P O\n2 2 2 4 16\ndirect\n0.271276 0.805053 0.067342 Sr\n0.728723 0.194948 0.932658 Sr\n0.016985 0.422814 0.663515 Ca\n-0.016986 0.577188 0.336485 Ca\n0.645270 0.850512 0.557783 Ni\n0.354729 0.149489 0.442217 Ni\n0.156494 0.968293 0.703161 P\n0.843505 0.031708 0.296839 P\n0.385253 0.418112 0.225413 P\n0.614746 0.581889 0.774587 P\n0.357415 0.199173 0.241974 O\n0.633012 0.962117 0.371072 O\n0.589764 0.408431 0.609461 O\n0.410235 0.591570 0.390539 O\n0.143328 0.432150 0.118979 O\n0.735927 0.002632 0.125948 O\n0.264072 -0.002631 0.874053 O\n0.642584 0.800828 0.758026 O\n0.010837 0.735682 0.596889 O\n0.391646 0.538446 0.840896 O\n0.953485 0.101798 0.693423 O\n0.046514 0.898203 0.306577 O\n0.608353 0.461556 0.159104 O\n0.856671 0.567851 0.881022 O\n0.989162 0.264319 0.403111 O\n0.366987 0.037884 0.628928 O\n",
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{
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"updated_at": "2022-09-04T14:38:55.581248Z",
"structure_string": "Gd2 P2 O8\n1.0\n5.590877 0.031710 -1.605886\n-3.164587 4.609154 -1.605886\n-0.016578 -0.031710 5.816915\nGd P O\n2 2 8\ndirect\n0.249999 0.749999 0.499999 Gd\n0.000000 0.000000 0.000000 Gd\n0.500000 0.499999 -0.000001 P\n0.750000 0.250000 0.500000 P\n0.482885 0.657016 0.825870 O\n0.907017 0.232886 0.325870 O\n0.907017 0.581146 0.674129 O\n0.831146 0.657016 0.174129 O\n0.767114 0.092983 0.674130 O\n0.342983 0.517113 0.174129 O\n0.342983 0.168853 0.825870 O\n0.418853 0.092983 0.325870 O\n",
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"volume_molar": 7.523326470663957,
"formula_full": "Gd2 P2 O8",
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"spacegroup": 141
},
{
"id": "jvasp-45080",
"created_at": "2022-09-04T14:38:07.283265Z",
"updated_at": "2022-09-04T14:38:07.283290Z",
"structure_string": "Na6 Fe2 B2 As2 O14\n1.0\n0.000000 5.266660 -0.008656\n6.804339 0.000000 0.000000\n0.000000 -0.161320 -9.062854\nNa Fe B As O\n6 2 2 2 14\ndirect\n0.242816 0.750000 0.075670 Na\n0.755379 0.002095 0.243537 Na\n0.755379 0.497905 0.243537 Na\n0.244621 0.502095 0.756463 Na\n0.244621 0.997905 0.756463 Na\n0.757184 0.250000 0.924330 Na\n0.225289 0.250000 0.330430 Fe\n0.774711 0.750000 0.669569 Fe\n0.731654 0.750000 0.939401 B\n0.268346 0.250000 0.060599 B\n0.289698 0.750000 0.423451 As\n0.710301 0.250000 0.576549 As\n0.531300 0.750000 0.833805 O\n0.784552 0.053135 0.688152 O\n0.784552 0.446865 0.688152 O\n0.386021 0.250000 0.536451 O\n0.134906 0.750000 0.587724 O\n0.865094 0.250000 0.412276 O\n0.694955 0.750000 0.085950 O\n0.215448 0.553135 0.311848 O\n0.215448 0.946865 0.311848 O\n0.468700 0.250000 0.166195 O\n0.031451 0.250000 0.127953 O\n0.968549 0.750000 0.872046 O\n0.613979 0.750000 0.463549 O\n0.305045 0.250000 0.914049 O\n",
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"volume_molar": 7.522747211555035,
"formula_full": "Na6 Fe2 B2 As2 O14",
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{
"id": "jvasp-117289",
"created_at": "2022-09-04T14:38:26.249680Z",
"updated_at": "2022-09-04T14:38:26.249706Z",
"structure_string": "Li4 Co1 Sn3 P4 O16\n1.0\n6.834042 -0.000000 0.000000\n0.000000 4.769405 0.105485\n0.000000 0.011612 10.731037\nLi Co Sn P O\n4 1 3 4 16\ndirect\n0.277885 0.950278 0.003458 Li\n0.722115 0.950278 0.003458 Li\n0.765330 0.505249 0.485628 Li\n0.234670 0.505249 0.485628 Li\n-0.000000 0.042654 0.270457 Co\n-0.000000 0.450251 0.782029 Sn\n0.500000 0.557110 0.217837 Sn\n0.500000 0.920228 0.703241 Sn\n-0.000000 0.924786 0.557578 P\n-0.000000 0.621595 0.101641 P\n0.500000 0.365232 0.928082 P\n0.500000 0.110955 0.419709 P\n0.820300 0.794542 0.628891 O\n0.500000 0.789904 0.433032 O\n0.500000 0.683041 0.946999 O\n0.178931 0.767542 0.163389 O\n0.821069 0.767542 0.163389 O\n-0.000000 0.719312 0.960961 O\n0.500000 0.207400 0.057390 O\n0.315753 0.232378 0.349811 O\n0.317035 0.257372 0.855001 O\n-0.000000 0.301402 0.118530 O\n-0.000000 0.245761 0.553478 O\n0.684246 0.232378 0.349811 O\n0.179700 0.794542 0.628891 O\n0.500000 0.246892 0.552929 O\n0.682965 0.257372 0.855001 O\n-0.000000 0.798735 0.423744 O\n",
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"formula_full": "Li4 Co1 Sn3 P4 O16",
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}
]
}