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{
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"results": [
{
"id": "jvasp-88567",
"created_at": "2022-09-04T14:36:04.684938Z",
"updated_at": "2022-09-04T14:36:04.684957Z",
"structure_string": "Y8 Os2 Br8\n1.0\n6.584067 0.000463 0.078892\n0.104756 8.829815 0.090857\n0.000653 -0.003505 8.830903\nY Os Br\n8 2 8\ndirect\n0.009378 0.253383 0.900273 Y\n0.490438 0.252098 0.098499 Y\n0.990622 0.746617 0.099726 Y\n0.490621 0.099726 0.746617 Y\n0.990438 0.098499 0.252098 Y\n0.509562 0.747902 0.901500 Y\n0.009562 0.901500 0.747902 Y\n0.509379 0.900273 0.253382 Y\n0.250001 0.994647 0.005353 Os\n0.750000 0.005353 0.994647 Os\n0.093614 0.186642 0.577729 Br\n0.906387 0.813358 0.422271 Br\n0.593615 0.577728 0.186642 Br\n0.095734 0.417922 0.194849 Br\n0.404266 0.805151 0.582078 Br\n0.904266 0.582078 0.805151 Br\n0.595734 0.194848 0.417922 Br\n0.406386 0.422271 0.813358 Br\n",
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{
"id": "jvasp-59113",
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"updated_at": "2022-09-04T14:38:13.733853Z",
"structure_string": "Sr12 Si4 O4\n1.0\n7.127597 0.000000 0.000000\n-0.000000 7.137610 0.000000\n0.000000 0.000000 10.092600\nSr Si O\n12 4 4\ndirect\n0.220440 0.779234 0.969240 Sr\n0.059427 0.508283 0.250000 Sr\n0.440574 0.008283 0.250000 Sr\n0.940574 0.491717 0.750000 Sr\n0.779561 0.220766 0.030760 Sr\n0.720440 0.720767 0.469240 Sr\n0.559427 0.991717 0.750000 Sr\n0.220440 0.779234 0.530760 Sr\n0.779561 0.220766 0.469240 Sr\n0.720440 0.720767 0.030760 Sr\n0.279561 0.279234 0.530760 Sr\n0.279561 0.279234 0.969240 Sr\n0.005042 0.022056 0.750000 Si\n0.494958 0.522056 0.750000 Si\n0.505043 0.477944 0.250000 Si\n0.994958 0.977944 0.250000 Si\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
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{
"id": "jvasp-60812",
"created_at": "2022-09-04T14:36:19.171332Z",
"updated_at": "2022-09-04T14:36:19.171357Z",
"structure_string": "Li6 Al6 Ge6 O24\n1.0\n5.053547 -6.929536 0.002499\n5.053547 6.929537 0.002500\n-4.452012 -0.000001 7.330512\nLi Al Ge O\n6 6 6 24\ndirect\n0.237752 0.073147 0.468745 Li\n0.762249 0.926853 0.531255 Li\n0.926853 0.531255 0.762248 Li\n0.531255 0.762249 0.926853 Li\n0.073147 0.468746 0.237752 Li\n0.468746 0.237752 0.073147 Li\n0.791457 0.564032 0.385413 Al\n0.385413 0.791457 0.564032 Al\n0.564032 0.385413 0.791456 Al\n0.208544 0.435969 0.614587 Al\n0.614587 0.208544 0.435968 Al\n0.435969 0.614587 0.208544 Al\n0.134510 0.893585 0.720368 Ge\n0.720369 0.134510 0.893584 Ge\n0.279632 0.865491 0.106416 Ge\n0.865491 0.106416 0.279631 Ge\n0.893585 0.720369 0.134510 Ge\n0.106416 0.279632 0.865490 Ge\n0.653271 0.335213 0.314327 O\n0.044887 0.326790 0.377399 O\n0.673211 0.622602 0.955113 O\n0.622602 0.955113 0.673210 O\n0.955113 0.673211 0.622601 O\n0.664788 0.685673 0.346729 O\n0.685673 0.346729 0.664787 O\n0.346729 0.664788 0.685673 O\n0.335213 0.314327 0.653271 O\n0.314327 0.653271 0.335212 O\n0.022955 0.042576 0.717498 O\n0.260097 0.923535 0.595391 O\n0.717499 0.022955 0.042576 O\n0.977046 0.957425 0.282502 O\n0.957425 0.282502 0.977045 O\n0.282502 0.977046 0.957424 O\n0.739904 0.076466 0.404609 O\n0.076466 0.404610 0.739904 O\n0.404610 0.739904 0.076466 O\n0.377399 0.044887 0.326790 O\n0.923535 0.595391 0.260096 O\n0.595391 0.260097 0.923534 O\n0.042576 0.717499 0.022955 O\n0.326790 0.377399 0.044887 O\n",
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{
"id": "jvasp-33069",
"created_at": "2022-09-04T14:37:00.856163Z",
"updated_at": "2022-09-04T14:37:00.856185Z",
"structure_string": "Sb4 H12 O4 F24\n1.0\n-5.045475 5.045475 5.045475\n5.045475 -5.045475 5.045475\n5.045475 5.045475 -5.045475\nSb H O F\n4 12 4 24\ndirect\n0.500000 0.000000 0.003780 Sb\n0.000000 0.003780 0.500000 Sb\n0.003780 0.500000 0.000000 Sb\n0.496220 0.496220 0.496220 Sb\n0.001699 0.973160 0.872234 H\n0.973160 0.872234 0.001699 H\n0.627765 0.600926 0.129464 H\n0.498300 0.370535 0.971462 H\n0.526838 0.528537 0.899073 H\n0.872234 0.001699 0.973160 H\n0.899073 0.526838 0.528537 H\n0.129464 0.627765 0.600926 H\n0.528537 0.899073 0.526838 H\n0.600926 0.129464 0.627765 H\n0.370535 0.971462 0.498300 H\n0.971462 0.498300 0.370535 H\n0.500000 0.000000 0.521430 O\n0.000000 0.521430 0.500000 O\n0.521430 0.500000 0.000000 O\n0.978569 0.978569 0.978569 O\n0.459675 0.161914 0.906198 F\n0.702238 0.040324 0.946522 F\n0.161914 0.906198 0.459675 F\n0.040324 0.946522 0.702238 F\n0.553476 0.593801 0.755715 F\n0.946522 0.702238 0.040324 F\n0.744284 0.338086 0.797761 F\n0.906198 0.459675 0.161914 F\n0.338086 0.797761 0.744284 F\n0.797761 0.744284 0.338086 F\n0.417574 0.250979 0.461893 F\n0.544319 0.833404 0.082426 F\n0.461893 0.417574 0.250979 F\n0.082426 0.544319 0.833404 F\n0.249021 0.666594 0.210912 F\n0.038106 0.289087 0.955679 F\n0.210912 0.249021 0.666594 F\n0.955679 0.038106 0.289087 F\n0.833404 0.082426 0.544319 F\n0.289087 0.955679 0.038106 F\n0.755715 0.553476 0.593801 F\n0.666594 0.210912 0.249021 F\n0.250979 0.461893 0.417574 F\n0.593801 0.755715 0.553476 F\n",
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"density_atomic": 0.08564194251360233,
"volume": 513.766954702266,
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{
"id": "jvasp-34401",
"created_at": "2022-09-04T14:38:09.058687Z",
"updated_at": "2022-09-04T14:38:09.058706Z",
"structure_string": "Tb6 Cu2 Sn2 S14\n1.0\n4.881122 -8.454350 0.000000\n4.881121 8.454351 0.000000\n-0.000000 -0.000000 6.226517\nTb Cu Sn S\n6 2 2 14\ndirect\n0.359955 0.152205 0.274959 Tb\n0.152205 0.792250 0.774959 Tb\n0.792250 0.640045 0.274959 Tb\n0.640045 0.847794 0.774959 Tb\n0.207749 0.359955 0.774959 Tb\n0.847794 0.207749 0.274959 Tb\n0.000000 0.000000 0.663189 Cu\n0.000000 0.000000 0.163188 Cu\n0.666667 0.333333 0.839715 Sn\n0.333333 0.666667 0.339715 Sn\n0.883816 0.147038 0.698824 S\n0.333333 0.666667 0.954374 S\n0.080492 0.520456 0.520859 S\n0.116184 0.852962 0.198824 S\n0.666667 0.333333 0.454374 S\n0.263222 0.116184 0.698824 S\n0.520456 0.439964 0.020859 S\n0.147038 0.263222 0.198824 S\n0.479544 0.560036 0.520859 S\n0.919508 0.479544 0.020859 S\n0.852962 0.736778 0.698824 S\n0.560036 0.080492 0.020859 S\n0.439964 0.919508 0.520859 S\n0.736778 0.883816 0.198824 S\n",
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{
"id": "jvasp-40633",
"created_at": "2022-09-04T14:37:45.066019Z",
"updated_at": "2022-09-04T14:37:45.066046Z",
"structure_string": "Sm6 Si2 Ag2 S14\n1.0\n0.000000 10.185276 0.001013\n5.722921 0.000000 0.000000\n0.000000 -5.091724 -8.821236\nSm Si Ag S\n6 2 2 14\ndirect\n0.875111 0.249439 0.640174 Sm\n0.124890 0.749438 0.359827 Sm\n0.359825 0.249434 0.234940 Sm\n0.765060 0.249428 0.124895 Sm\n0.234941 0.749428 0.875105 Sm\n0.640176 0.749434 0.765061 Sm\n0.666670 0.661881 0.333337 Si\n0.333331 0.161881 0.666663 Si\n-0.000014 0.296367 0.000001 Ag\n0.000014 0.796367 -0.000001 Ag\n0.822624 0.765968 0.094244 S\n0.271647 0.765965 0.177391 S\n0.094250 0.265969 0.271639 S\n0.905751 0.765969 0.728362 S\n0.476482 0.013364 0.888258 S\n0.111740 0.013364 0.588225 S\n0.333335 0.531458 0.666660 S\n0.523519 0.513364 0.111743 S\n0.411773 0.013354 0.523513 S\n0.588228 0.513354 0.476488 S\n0.177377 0.265968 0.905756 S\n0.666666 0.031458 0.333341 S\n0.888261 0.513364 0.411776 S\n0.728354 0.265965 0.822610 S\n",
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{
"id": "jvasp-4255",
"created_at": "2022-09-04T14:37:39.070416Z",
"updated_at": "2022-09-04T14:37:39.070445Z",
"structure_string": "As4 Br12\n1.0\n4.122976 0.000000 0.000000\n0.000000 10.214315 0.000000\n0.000000 0.000000 12.210577\nAs Br\n4 12\ndirect\n0.491049 0.303717 0.288711 As\n-0.008951 0.196282 0.711290 As\n0.508952 0.803717 0.211289 As\n0.008951 0.696282 0.788711 As\n0.779853 0.135584 0.384415 Br\n0.279853 0.364416 0.615585 Br\n0.220148 0.635584 0.115585 Br\n0.720148 0.864416 0.884415 Br\n0.758492 0.488084 0.368662 Br\n0.258492 0.011916 0.631338 Br\n0.241508 0.988084 0.131338 Br\n0.741509 0.511916 0.868662 Br\n0.782251 0.300589 0.118073 Br\n0.282250 0.199411 0.881927 Br\n0.217750 0.800588 0.381927 Br\n0.717751 0.699411 0.618073 Br\n",
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{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
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{
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"created_at": "2022-09-04T14:35:57.806301Z",
"updated_at": "2022-09-04T14:35:57.806320Z",
"structure_string": "Ca1 Zr4 P6 O24\n1.0\n7.735302 -0.016000 4.862760\n2.678874 7.256638 4.862760\n-0.023013 -0.016000 9.136784\nCa Zr P O\n1 4 6 24\ndirect\n0.500000 0.500000 0.500000 Ca\n0.351958 0.351958 0.351958 Zr\n0.861311 0.861311 0.861311 Zr\n0.648041 0.648042 0.648042 Zr\n0.138689 0.138689 0.138689 Zr\n0.528569 0.954373 0.257773 P\n0.742227 0.471430 0.045627 P\n0.954373 0.257773 0.528570 P\n0.045627 0.742228 0.471430 P\n0.471430 0.045627 0.742227 P\n0.257772 0.528570 0.954373 P\n0.958641 0.076950 0.692609 O\n0.982015 0.241630 0.356344 O\n0.591627 0.422621 0.237584 O\n0.017985 0.758371 0.643655 O\n0.894266 0.684194 0.509386 O\n0.356344 0.982015 0.241630 O\n0.758370 0.643656 0.017985 O\n0.762416 0.408373 0.577379 O\n0.643656 0.017985 0.758370 O\n0.684194 0.509386 0.894266 O\n0.237584 0.591627 0.422621 O\n0.490614 0.105733 0.315806 O\n0.509386 0.894267 0.684194 O\n0.923049 0.307391 0.041359 O\n0.241630 0.356345 0.982015 O\n0.315806 0.490614 0.105733 O\n0.076950 0.692609 0.958640 O\n0.041359 0.923050 0.307391 O\n0.692608 0.958641 0.076951 O\n0.408373 0.577379 0.762416 O\n0.422621 0.237584 0.591627 O\n0.105733 0.315806 0.490614 O\n0.307391 0.041359 0.923049 O\n0.577378 0.762416 0.408373 O\n",
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{
"id": "jvasp-116986",
"created_at": "2022-09-04T14:38:44.904515Z",
"updated_at": "2022-09-04T14:38:44.904550Z",
"structure_string": "Er12 Ni4 Ge8\n1.0\n4.128498 -0.000000 0.000000\n0.000000 11.089580 0.000000\n0.000000 -0.000000 11.237167\nEr Ni Ge\n12 4 8\ndirect\n0.250000 0.372134 0.056121 Er\n0.750000 0.942597 0.120333 Er\n0.750000 0.557404 0.620333 Er\n0.250000 0.442597 0.379667 Er\n0.250000 0.801911 0.720948 Er\n0.750000 0.198089 0.279052 Er\n0.250000 0.057404 0.879667 Er\n0.250000 0.698089 0.220948 Er\n0.250000 0.127866 0.556122 Er\n0.750000 0.872134 0.443879 Er\n0.750000 0.627866 0.943879 Er\n0.750000 0.301911 0.779052 Er\n0.750000 0.632226 0.370398 Ni\n0.250000 0.367774 0.629602 Ni\n0.250000 0.132226 0.129602 Ni\n0.750000 0.867774 0.870398 Ni\n0.750000 0.501837 0.190261 Ge\n0.250000 0.687504 0.484951 Ge\n0.750000 0.312496 0.515049 Ge\n0.750000 0.187504 0.015049 Ge\n0.250000 0.812496 0.984951 Ge\n0.250000 0.001837 0.309740 Ge\n0.750000 0.998163 0.690261 Ge\n0.250000 0.498163 0.809740 Ge\n",
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{
"id": "jvasp-12480",
"created_at": "2022-09-04T14:38:11.053355Z",
"updated_at": "2022-09-04T14:38:11.053378Z",
"structure_string": "Rb2 Pb4 Br10\n1.0\n7.565556 0.000000 -3.796652\n-1.905289 7.321716 -3.796652\n-0.041312 -0.053439 9.353913\nRb Pb Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750001 0.750000 0.500001 Rb\n0.336743 0.163257 0.000000 Pb\n0.163257 0.663257 0.000000 Pb\n0.663257 0.836744 0.000001 Pb\n0.836744 0.336743 0.000001 Pb\n0.208721 0.708721 0.724519 Br\n0.484203 0.984204 0.275482 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.791279 0.291279 0.275481 Br\n0.984204 0.791279 0.275482 Br\n0.291279 0.484203 0.275481 Br\n0.015797 0.208721 0.724519 Br\n0.515797 0.015797 0.724519 Br\n0.708722 0.515797 0.724520 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 5.799089768936765,
"density_atomic": 0.031063739028242724,
"volume": 515.0699980273791,
"volume_molar": 19.386400183586247,
"formula_full": "Rb2 Pb4 Br10",
"formula_reduced": "RbPb2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.01625487875,
"spacegroup": 140
},
{
"id": "jvasp-106459",
"created_at": "2022-09-04T14:36:48.414472Z",
"updated_at": "2022-09-04T14:36:48.414485Z",
"structure_string": "K2 Rb1 Y1 I6\n1.0\n7.792169 -0.000000 4.498811\n2.597390 7.346528 4.498811\n-0.000000 -0.000000 8.997622\nK Rb Y I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.764617 0.235384 0.235383 I\n0.235383 0.235384 0.764616 I\n0.235383 0.764617 0.764616 I\n0.235383 0.764617 0.235383 I\n0.764617 0.235384 0.764616 I\n0.764617 0.764617 0.235383 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Y",
"I"
],
"chemical_system": "I-K-Rb-Y",
"density": 3.2690198087065654,
"density_atomic": 0.01941474785727186,
"volume": 515.0723601210441,
"volume_molar": 31.018382542343378,
"formula_full": "K2 Rb1 Y1 I6",
"formula_reduced": "K2RbYI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}