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"results": [
{
"id": "jvasp-41050",
"created_at": "2022-09-04T14:38:29.012661Z",
"updated_at": "2022-09-04T14:38:29.012682Z",
"structure_string": "Na6 Np2 H4 O12\n1.0\n0.000000 -2.955824 -5.225510\n0.000000 -2.955824 5.225510\n-10.052457 2.955824 0.000000\nNa Np H O\n6 2 4 12\ndirect\n0.131410 0.868589 0.000000 Na\n0.904956 0.318315 0.176046 Na\n0.978908 0.892268 0.323953 Na\n0.381410 0.618587 0.500000 Na\n0.107731 0.021091 0.676045 Na\n0.681686 0.095044 0.823955 Na\n0.470762 0.529238 0.000000 Np\n0.720762 0.279236 0.500000 Np\n0.573206 0.482190 0.711085 H\n0.112120 0.521106 0.788915 H\n0.478895 0.887880 0.211086 H\n0.517810 0.426795 0.288916 H\n0.671813 0.733674 0.883806 O\n0.814933 0.615286 0.112660 O\n0.266326 0.328188 0.116194 O\n0.518674 0.892711 0.122569 O\n0.646108 0.520143 0.377431 O\n0.400134 0.961993 0.383806 O\n0.952275 0.252625 0.387340 O\n0.747375 0.047726 0.612660 O\n0.038007 0.599866 0.616195 O\n0.479858 0.353892 0.622569 O\n0.107290 0.481325 0.877431 O\n0.384715 0.185067 0.887340 O\n",
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"formula_full": "Na6 Np2 H4 O12",
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{
"id": "jvasp-100153",
"created_at": "2022-09-04T14:36:51.404953Z",
"updated_at": "2022-09-04T14:36:51.404988Z",
"structure_string": "Ca2 Yb6\n1.0\n7.586232 -0.000000 0.000000\n-3.793116 6.569870 0.000000\n0.000000 -0.000000 6.230843\nYb Ca\n6 2\ndirect\n0.166456 0.332912 0.250000 Yb\n0.667088 0.833544 0.250000 Yb\n0.166455 0.833544 0.250000 Yb\n0.833543 0.667088 0.750000 Yb\n0.332912 0.166456 0.750000 Yb\n0.833544 0.166456 0.750000 Yb\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n",
"nsites": 8,
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"volume": 310.54869211632234,
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"formula_full": "Ca2 Yb6",
"formula_reduced": "CaYb3",
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"spacegroup": 194
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{
"id": "jvasp-22428",
"created_at": "2022-09-04T14:37:42.070574Z",
"updated_at": "2022-09-04T14:37:42.070594Z",
"structure_string": "Nd6 Ir2 O14\n1.0\n6.646559 -0.025350 0.000000\n-2.440151 6.182478 0.000000\n0.000000 -0.000000 7.569345\nNd Ir O\n6 2 14\ndirect\n0.529453 0.085786 0.250000 Nd\n0.470548 0.914214 0.750000 Nd\n0.085786 0.529453 0.250000 Nd\n0.914214 0.470548 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.439573 0.186873 0.540969 O\n0.560427 0.813127 0.040969 O\n0.813127 0.560427 0.040969 O\n0.590797 0.590797 0.750000 O\n0.439573 0.186873 0.959030 O\n0.813127 0.560427 0.459030 O\n0.186873 0.439573 0.959030 O\n0.158695 0.895784 0.250000 O\n0.841305 0.104217 0.750000 O\n0.895784 0.158695 0.250000 O\n0.104217 0.841305 0.750000 O\n0.409204 0.409203 0.250000 O\n0.560427 0.813127 0.459030 O\n0.186873 0.439573 0.540969 O\n",
"nsites": 22,
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"elements": [
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"volume": 310.5728516504524,
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"formula_full": "Nd6 Ir2 O14",
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"spacegroup": 63
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{
"id": "jvasp-122621",
"created_at": "2022-09-04T14:38:54.210151Z",
"updated_at": "2022-09-04T14:38:54.210177Z",
"structure_string": "U1 Sn7\n1.0\n6.772147 -0.000000 0.000000\n0.000000 6.772147 0.000000\n-0.000000 -0.000000 6.772147\nU Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 U\n0.257318 0.257318 0.757319 Sn\n0.000000 0.500000 0.000000 Sn\n0.257318 0.742682 0.242682 Sn\n0.500000 0.000000 0.000000 Sn\n0.742682 0.257318 0.242682 Sn\n0.500000 0.500000 0.500000 Sn\n0.742682 0.742682 0.757319 Sn\n",
"nsites": 8,
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"elements": [
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],
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"volume": 310.5840363399557,
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"formula_full": "U1 Sn7",
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{
"id": "jvasp-102361",
"created_at": "2022-09-04T14:36:58.104791Z",
"updated_at": "2022-09-04T14:36:58.104810Z",
"structure_string": "K3 As1 Cl6\n1.0\n6.583205 -0.000000 3.800815\n2.194402 6.206705 3.800815\n-0.000000 -0.000000 7.601631\nK As Cl\n3 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.767820 0.232180 0.232180 Cl\n0.232180 0.232180 0.767820 Cl\n0.232180 0.767820 0.767820 Cl\n0.232180 0.767820 0.232181 Cl\n0.767820 0.232180 0.767820 Cl\n0.767820 0.767820 0.232181 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 310.6027292389664,
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"formula_full": "K3 As1 Cl6",
"formula_reduced": "K3AsCl6",
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"spacegroup": 225
},
{
"id": "jvasp-55563",
"created_at": "2022-09-04T14:37:02.236018Z",
"updated_at": "2022-09-04T14:37:02.236047Z",
"structure_string": "Ce6 F18\n1.0\n3.554637 -6.156812 0.000000\n3.554637 6.156812 -0.000000\n-0.000000 -0.000000 7.098744\nCe F\n6 18\ndirect\n0.000000 0.323096 0.000000 Ce\n0.676905 1.000001 0.500000 Ce\n0.323096 0.323096 0.500000 Ce\n0.676905 0.676905 0.000000 Ce\n0.323096 0.000000 0.000000 Ce\n1.000001 0.676905 0.500000 Ce\n0.666667 0.333333 0.500185 F\n0.333333 0.666667 0.000185 F\n0.333333 0.666667 0.499815 F\n0.666667 0.333333 0.999814 F\n0.999926 0.343424 0.333566 F\n0.656577 0.656502 0.333566 F\n0.343498 0.000075 0.333566 F\n0.656502 0.999926 0.833566 F\n0.343424 0.343499 0.833566 F\n0.000075 0.656577 0.833566 F\n0.000000 0.000000 0.250000 F\n0.999926 0.656502 0.166433 F\n0.656577 0.000075 0.166433 F\n0.343424 0.999926 0.666433 F\n0.000075 0.343498 0.666433 F\n0.343499 0.343424 0.166433 F\n0.656502 0.656577 0.666433 F\n0.000000 0.000000 0.750000 F\n",
"nsites": 24,
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"elements": [
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"F"
],
"chemical_system": "Ce-F",
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"density_atomic": 0.0772411234462935,
"volume": 310.7153149667409,
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},
{
"id": "jvasp-85236",
"created_at": "2022-09-04T14:37:16.028396Z",
"updated_at": "2022-09-04T14:37:16.028417Z",
"structure_string": "V2 I2 N2 Cl6\n1.0\n5.932099 0.064986 0.427329\n2.290582 6.456547 3.510727\n0.075601 0.023840 8.161685\nV I N Cl\n2 2 2 6\ndirect\n0.748868 0.525187 0.849259 V\n0.251131 0.474814 0.150741 V\n0.711192 0.182326 0.678771 I\n0.288807 0.817676 0.321229 I\n0.707398 0.402994 0.739706 N\n0.292602 0.597007 0.260294 N\n0.850603 0.663690 0.072797 Cl\n0.777999 0.815676 0.605878 Cl\n0.149396 0.336311 0.927203 Cl\n0.659203 0.273889 0.142044 Cl\n0.222000 0.184325 0.394121 Cl\n0.340796 0.726112 0.857955 Cl\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"N",
"Cl"
],
"chemical_system": "Cl-I-N-V",
"density": 3.187382142963597,
"density_atomic": 0.03861994521033443,
"volume": 310.7202750973578,
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"formula_full": "V2 I2 N2 Cl6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-56232",
"created_at": "2022-09-04T14:37:36.588160Z",
"updated_at": "2022-09-04T14:37:36.588184Z",
"structure_string": "Li4 Ca4 Bi4\n1.0\n4.714273 -0.000000 0.000000\n-0.000000 7.776062 0.000000\n0.000000 0.000000 8.476136\nLi Ca Bi\n4 4 4\ndirect\n0.749999 0.348309 0.071973 Li\n0.749999 0.848309 0.428027 Li\n0.250000 0.151690 0.571974 Li\n0.250000 0.651690 0.928027 Li\n0.250000 0.010731 0.202345 Ca\n0.749999 0.489269 0.702345 Ca\n0.749999 0.989269 0.797656 Ca\n0.250000 0.510730 0.297656 Ca\n0.749999 0.732249 0.100166 Bi\n0.250000 0.267751 0.899835 Bi\n0.250000 0.767750 0.600166 Bi\n0.749999 0.232249 0.399835 Bi\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ca",
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],
"chemical_system": "Bi-Ca-Li",
"density": 5.472372812931502,
"density_atomic": 0.0386196991657707,
"volume": 310.7222546838429,
"volume_molar": 15.593442958088927,
"formula_full": "Li4 Ca4 Bi4",
"formula_reduced": "LiCaBi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-38173",
"created_at": "2022-09-04T14:38:32.770188Z",
"updated_at": "2022-09-04T14:38:32.770223Z",
"structure_string": "Rb4 H4 C4 O10\n1.0\n-4.561206 -3.281658 -0.032820\n4.561206 -3.281658 0.032820\n1.156834 3.281658 10.387723\nRb H C O\n4 4 4 10\ndirect\n0.164722 0.307145 0.135284 Rb\n0.671862 0.029437 0.364715 Rb\n0.328140 0.970563 0.635284 Rb\n0.835279 0.692855 0.864715 Rb\n0.751766 0.633923 0.191505 H\n0.942419 0.560261 0.308496 H\n0.057581 0.439737 0.691504 H\n0.248233 0.366076 0.808496 H\n0.499831 0.090146 0.948289 C\n0.641857 0.551540 0.551711 C\n0.500172 0.909854 0.051712 C\n0.358142 0.448458 0.448289 C\n0.698059 0.158361 0.908344 O\n0.704328 0.849553 0.088739 O\n0.301942 0.841639 0.091656 O\n0.757310 0.507309 0.250000 O\n0.249984 0.210286 0.408345 O\n0.260815 0.615588 0.411261 O\n0.739184 0.384411 0.588739 O\n0.750019 0.789715 0.591656 O\n0.242691 0.492691 0.750000 O\n0.295672 0.150446 0.911261 O\n",
"nsites": 22,
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"volume": 310.7242943002362,
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"formula_full": "Rb4 H4 C4 O10",
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},
{
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"created_at": "2022-09-04T14:37:52.254944Z",
"updated_at": "2022-09-04T14:37:52.254967Z",
"structure_string": "U2 Cd2 Pb4 O12\n1.0\n0.000000 5.938811 0.005680\n6.126901 0.000000 0.000000\n0.000000 -5.857785 -8.546633\nU Cd Pb O\n2 2 4 12\ndirect\n-0.000001 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 -0.000000 Cd\n0.499999 0.500000 0.500000 Cd\n0.258463 0.039289 0.254702 Pb\n0.741536 0.539289 0.245297 Pb\n0.741536 0.960711 0.745297 Pb\n0.258462 0.460711 0.754702 Pb\n0.860951 0.964624 0.261435 O\n0.139048 0.464624 0.238565 O\n0.335521 0.180381 0.540426 O\n0.664477 0.680381 0.959573 O\n0.664478 0.819619 0.459574 O\n0.230572 0.716901 0.553655 O\n0.769426 0.283099 0.446344 O\n0.230573 0.783099 0.053655 O\n0.860950 0.535376 0.761435 O\n0.769426 0.216901 0.946344 O\n0.335521 0.319619 0.040426 O\n0.139048 0.035376 0.738564 O\n",
"nsites": 20,
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"spacegroup": 14
},
{
"id": "jvasp-23047",
"created_at": "2022-09-04T14:38:06.439965Z",
"updated_at": "2022-09-04T14:38:06.439996Z",
"structure_string": "Sr6 Yb2 Rh2 O12\n1.0\n6.772907 0.025505 -0.234436\n-0.243570 6.768574 -0.234436\n0.024512 0.025505 6.776919\nYb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.750000 0.384174 0.115826 Sr\n0.115826 0.750000 0.384173 Sr\n0.384174 0.115827 0.750000 Sr\n0.884174 0.250001 0.615826 Sr\n0.250000 0.615827 0.884173 Sr\n0.615827 0.884174 0.249999 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.499999 Rh\n0.084188 0.286305 0.951489 O\n0.786305 0.584189 0.451489 O\n0.548511 0.213696 0.415812 O\n0.415812 0.548511 0.213695 O\n0.213696 0.415812 0.548510 O\n0.713696 0.048512 0.915812 O\n0.915812 0.713696 0.048510 O\n0.048511 0.915812 0.713695 O\n0.451489 0.786305 0.584187 O\n0.584188 0.451490 0.786304 O\n0.951490 0.084189 0.286304 O\n0.286305 0.951489 0.084187 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.07078585126517743,
"volume": 310.7965731397898,
"volume_molar": 8.507548687152042,
"formula_full": "Sr6 Yb2 Rh2 O12",
"formula_reduced": "Sr3YbRhO6",
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"spacegroup": 167
},
{
"id": "jvasp-8592",
"created_at": "2022-09-04T14:37:00.202346Z",
"updated_at": "2022-09-04T14:37:00.202374Z",
"structure_string": "Rb2 Te1 Br6\n1.0\n6.584772 0.000000 3.801720\n2.194924 6.208183 3.801720\n0.000000 0.000000 7.603440\nRb Te Br\n2 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Te\n0.253771 0.746228 0.746228 Br\n0.253771 0.746228 0.253772 Br\n0.746228 0.253772 0.746228 Br\n0.746228 0.253772 0.253772 Br\n0.746227 0.746228 0.253772 Br\n0.253772 0.253772 0.746228 Br\n",
"nsites": 9,
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],
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"density": 4.156145723080482,
"density_atomic": 0.028955237669026627,
"volume": 310.8245942538847,
"volume_molar": 20.79810509185312,
"formula_full": "Rb2 Te1 Br6",
"formula_reduced": "Rb2TeBr6",
"formula_anonymous": "AB2C6",
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"spacegroup": 225
}
]
}