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{
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"results": [
{
"id": "jvasp-5716",
"created_at": "2022-09-04T14:37:29.618067Z",
"updated_at": "2022-09-04T14:37:29.618098Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.314358 0.026154 -0.075948\n-0.146086 9.249223 0.019943\n-3.061878 -3.213344 10.285388\nNb Te Cl\n2 2 18\ndirect\n0.118785 0.255752 0.702397 Nb\n0.881214 0.744248 0.297603 Nb\n0.301379 0.322545 0.168129 Te\n0.698620 0.677455 0.831871 Te\n0.378683 0.143131 0.607293 Cl\n0.621317 0.856868 0.392706 Cl\n0.399737 0.302681 0.917480 Cl\n0.600262 0.697319 0.082519 Cl\n0.877977 0.392893 0.829563 Cl\n0.122022 0.607106 0.170437 Cl\n0.972770 0.035890 0.721216 Cl\n0.027229 0.964110 0.278784 Cl\n0.746541 0.490608 0.294614 Cl\n0.057474 0.804926 0.937793 Cl\n0.849855 0.245383 0.509578 Cl\n0.150144 0.754617 0.490421 Cl\n0.719076 0.639529 0.618759 Cl\n0.280923 0.360471 0.381241 Cl\n0.520374 0.902856 0.834642 Cl\n0.479625 0.097143 0.165358 Cl\n0.253458 0.509392 0.705386 Cl\n0.942526 0.195073 0.062207 Cl\n",
"nsites": 22,
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{
"id": "jvasp-58930",
"created_at": "2022-09-04T14:37:07.834861Z",
"updated_at": "2022-09-04T14:37:07.834870Z",
"structure_string": "Ba2 Re2 H18\n1.0\n2.598553 -4.500827 -0.000000\n2.598553 4.500827 0.000000\n-0.000000 0.000000 9.721414\nBa Re H\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666667 0.750000 Re\n0.666667 0.333332 0.250000 Re\n0.530739 0.469260 0.125468 H\n0.469260 0.938520 0.874531 H\n0.061478 0.530739 0.874531 H\n0.938520 0.469260 0.374531 H\n0.530739 0.061478 0.374531 H\n0.469260 0.530739 0.874531 H\n0.853114 0.146885 0.250000 H\n0.146886 0.293772 0.750000 H\n0.293772 0.146886 0.250000 H\n0.530739 0.061478 0.125468 H\n0.853113 0.706227 0.250000 H\n0.146885 0.853114 0.750000 H\n0.938520 0.469260 0.125468 H\n0.061478 0.530739 0.625468 H\n0.469260 0.530739 0.625468 H\n0.469260 0.938520 0.625468 H\n0.706227 0.853113 0.750000 H\n0.530739 0.469260 0.374531 H\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.857637850932087,
"density_atomic": 0.096747409980819,
"volume": 227.39626832761402,
"volume_molar": 6.2246015280346425,
"formula_full": "Ba2 Re2 H18",
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"spacegroup": 194
},
{
"id": "jvasp-59038",
"created_at": "2022-09-04T14:38:30.450535Z",
"updated_at": "2022-09-04T14:38:30.450559Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.313943 0.026095 -0.076156\n-0.146171 9.249209 0.020547\n-3.062022 -3.212645 10.285143\nNb Te Cl\n2 2 18\ndirect\n0.118796 0.255737 0.702407 Nb\n0.881203 0.744262 0.297593 Nb\n0.301380 0.322549 0.168134 Te\n0.698619 0.677450 0.831866 Te\n0.378717 0.143152 0.607309 Cl\n0.621283 0.856847 0.392691 Cl\n0.399747 0.302685 0.917481 Cl\n0.600253 0.697314 0.082518 Cl\n0.877962 0.392895 0.829556 Cl\n0.122037 0.607104 0.170443 Cl\n0.972759 0.035871 0.721214 Cl\n0.027241 0.964128 0.278786 Cl\n0.746564 0.490594 0.294587 Cl\n0.057481 0.804953 0.937795 Cl\n0.849862 0.245374 0.509575 Cl\n0.150137 0.754625 0.490425 Cl\n0.719046 0.639517 0.618748 Cl\n0.280954 0.360482 0.381252 Cl\n0.520285 0.902820 0.834617 Cl\n0.479714 0.097179 0.165382 Cl\n0.253436 0.509405 0.705412 Cl\n0.942518 0.195046 0.062204 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Te",
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],
"chemical_system": "Cl-Nb-Te",
"density": 2.992131796305705,
"density_atomic": 0.036733790321074676,
"volume": 598.9036200105465,
"volume_molar": 16.394008642623017,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
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"spacegroup": 2
},
{
"id": "jvasp-59083",
"created_at": "2022-09-04T14:38:35.412225Z",
"updated_at": "2022-09-04T14:38:35.412240Z",
"structure_string": "Mg2 B18 N2\n1.0\n5.094292 -0.003314 5.353481\n2.137917 4.623974 5.353481\n-0.005188 -0.003314 7.389963\nMg B N\n2 18 2\ndirect\n0.304276 0.304277 0.304276 Mg\n0.695723 0.695724 0.695723 Mg\n0.823994 0.142205 0.142204 B\n0.142204 0.142205 0.823994 B\n0.675440 0.352157 0.675440 B\n0.352156 0.675441 0.675440 B\n0.675440 0.675441 0.352156 B\n0.324560 0.647844 0.324559 B\n0.647843 0.324560 0.324559 B\n0.857794 0.176007 0.857795 B\n0.130097 0.660808 0.660807 B\n0.660808 0.660808 0.130097 B\n0.339193 0.869903 0.339192 B\n0.869902 0.339193 0.339192 B\n0.339192 0.339193 0.869902 B\n0.142205 0.823994 0.142204 B\n0.857795 0.857796 0.176005 B\n0.176006 0.857796 0.857795 B\n0.660807 0.130098 0.660807 B\n0.324559 0.324560 0.647843 B\n0.800409 0.800410 0.800409 N\n0.199590 0.199591 0.199590 N\n",
"nsites": 22,
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"elements": [
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"B",
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"density": 2.583746174263741,
"density_atomic": 0.12621165933363157,
"volume": 174.31036178555073,
"volume_molar": 4.771461520905052,
"formula_full": "Mg2 B18 N2",
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},
{
"id": "jvasp-14325",
"created_at": "2022-09-04T14:38:33.648379Z",
"updated_at": "2022-09-04T14:38:33.648394Z",
"structure_string": "Mo2 P2 Cl18\n1.0\n6.828360 -0.031588 0.037365\n-0.911728 8.851546 0.080320\n-0.971558 -1.808959 9.107577\nMo P Cl\n2 2 18\ndirect\n0.883178 0.369110 0.323794 Mo\n0.116821 0.630890 0.676205 Mo\n0.546852 0.185311 0.777607 P\n0.453147 0.814689 0.222393 P\n0.238693 0.946313 0.230479 Cl\n0.761306 0.053687 0.769520 Cl\n0.560979 0.803473 0.422213 Cl\n0.439021 0.196527 0.577787 Cl\n0.550779 0.284407 0.236793 Cl\n0.449220 0.715593 0.763207 Cl\n0.874720 0.588554 0.214179 Cl\n0.125280 0.411446 0.785820 Cl\n0.988314 0.764333 0.879651 Cl\n0.651566 0.390733 0.886894 Cl\n0.915643 0.160758 0.444788 Cl\n0.084356 0.839242 0.555212 Cl\n0.779246 0.515376 0.552022 Cl\n0.220753 0.484624 0.447978 Cl\n0.335764 0.093435 0.876415 Cl\n0.664236 0.906565 0.123585 Cl\n0.011686 0.235667 0.120348 Cl\n0.348434 0.609267 0.113106 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-Mo-P",
"density": 2.685267649012813,
"density_atomic": 0.039884605822484695,
"volume": 551.5912604957384,
"volume_molar": 15.09891005768711,
"formula_full": "Mo2 P2 Cl18",
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"spacegroup": 2
},
{
"id": "jvasp-31972",
"created_at": "2022-09-04T14:38:11.986190Z",
"updated_at": "2022-09-04T14:38:11.986211Z",
"structure_string": "Te2 W2 Cl18\n1.0\n6.286796 -0.023820 1.789408\n-0.530034 9.048592 2.702767\n0.021768 0.095490 11.484408\nTe W Cl\n2 2 18\ndirect\n0.129508 0.663999 0.164493 Te\n0.870493 0.336001 0.835508 Te\n0.568893 0.261825 0.291246 W\n0.431108 0.738174 0.708754 W\n0.284899 0.954518 0.720979 Cl\n0.089889 0.606500 0.828244 Cl\n0.312073 0.877165 0.162952 Cl\n0.499413 0.694818 0.909445 Cl\n0.715103 0.045482 0.279021 Cl\n0.108914 0.199068 0.937080 Cl\n0.687928 0.122835 0.837049 Cl\n0.891087 0.800932 0.062920 Cl\n0.500589 0.305182 0.090555 Cl\n0.348560 0.752629 0.525245 Cl\n0.907799 0.634618 0.369142 Cl\n0.092203 0.365382 0.630858 Cl\n0.234582 0.150394 0.391644 Cl\n0.651442 0.247371 0.474755 Cl\n0.569214 0.499136 0.703771 Cl\n0.910112 0.393500 0.171756 Cl\n0.430788 0.500863 0.296229 Cl\n0.765420 0.849606 0.608357 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"W",
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],
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"density": 3.2161021050251652,
"density_atomic": 0.03378909932619683,
"volume": 651.0975562744079,
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"formula_full": "Te2 W2 Cl18",
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"formula_anonymous": "ABC9",
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"spacegroup": 2
},
{
"id": "jvasp-31813",
"created_at": "2022-09-04T14:38:07.577192Z",
"updated_at": "2022-09-04T14:38:07.577219Z",
"structure_string": "V2 P2 Cl18\n1.0\n5.952843 0.000000 -0.000000\n-0.000000 9.587691 -3.194388\n0.000000 -0.049626 10.105714\nV P Cl\n2 2 18\ndirect\n0.619698 0.031139 0.468861 V\n0.380301 0.531139 0.968860 V\n0.000000 0.031133 0.968866 P\n0.000000 0.531134 0.468866 P\n0.805750 0.557759 0.632787 Cl\n0.805750 0.867212 0.942240 Cl\n0.194249 0.057759 0.132788 Cl\n0.194297 0.004529 0.804970 Cl\n0.805703 0.195029 0.995470 Cl\n0.805703 0.504529 0.304970 Cl\n0.194297 0.695029 0.495470 Cl\n0.366471 0.389405 0.110594 Cl\n0.633529 0.889405 0.610594 Cl\n0.366510 0.672873 0.827126 Cl\n0.251488 0.031132 0.468868 Cl\n0.748511 0.531132 0.968867 Cl\n0.232816 0.360210 0.797925 Cl\n0.767183 0.202074 0.639789 Cl\n0.767183 0.860211 0.297925 Cl\n0.232816 0.702074 0.139789 Cl\n0.194249 0.367212 0.442241 Cl\n0.633490 0.172873 0.327127 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"P",
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],
"chemical_system": "Cl-P-V",
"density": 2.312707802592677,
"density_atomic": 0.038205717599742776,
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"formula_full": "V2 P2 Cl18",
"formula_reduced": "VPCl9",
"formula_anonymous": "ABC9",
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"spacegroup": 67
},
{
"id": "jvasp-88802",
"created_at": "2022-09-04T14:36:12.418028Z",
"updated_at": "2022-09-04T14:36:12.418058Z",
"structure_string": "Re2 P2 Cl18\n1.0\n6.761281 -0.023725 -0.660457\n-1.092931 8.694873 -1.652000\n0.000549 0.054021 9.346337\nRe P Cl\n2 2 18\ndirect\n0.385175 0.370577 0.325930 Re\n0.614826 0.629422 0.674070 Re\n0.049452 0.185635 0.778416 P\n0.950549 0.814364 0.221584 P\n0.628646 0.412610 0.785505 Cl\n0.162338 0.905856 0.122473 Cl\n0.837662 0.094142 0.877526 Cl\n0.735410 0.946299 0.231378 Cl\n0.264590 0.053700 0.768622 Cl\n0.059932 0.804288 0.420967 Cl\n0.940068 0.195711 0.579032 Cl\n0.155532 0.390341 0.889442 Cl\n0.844468 0.609658 0.110558 Cl\n0.720335 0.484690 0.448986 Cl\n0.485664 0.759473 0.876325 Cl\n0.514336 0.240526 0.123675 Cl\n0.946824 0.715331 0.760858 Cl\n0.053176 0.284668 0.239142 Cl\n0.584862 0.840300 0.557964 Cl\n0.415138 0.159699 0.442036 Cl\n0.371354 0.587389 0.214495 Cl\n0.279665 0.515309 0.551014 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.238921577863207,
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"formula_full": "Re2 P2 Cl18",
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},
{
"id": "jvasp-13412",
"created_at": "2022-09-04T14:37:15.591618Z",
"updated_at": "2022-09-04T14:37:15.591641Z",
"structure_string": "Ag2 Xe2 F18\n1.0\n5.380944 -0.000001 -1.424135\n-0.376914 5.367727 -1.424135\n0.084488 0.090629 11.196962\nAg Xe F\n2 2 18\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.151106 0.151106 0.302212 Xe\n0.848895 0.848895 0.697789 Xe\n0.634050 0.096196 0.872651 F\n0.776456 0.634050 0.872652 F\n0.096196 0.238603 0.872651 F\n0.238603 0.776456 0.872652 F\n0.761397 0.223544 0.127349 F\n0.903805 0.761398 0.127349 F\n0.984427 0.514948 0.659195 F\n0.365951 0.903805 0.127349 F\n0.674768 0.144247 0.659195 F\n0.015574 0.485053 0.340806 F\n0.855753 0.015574 0.340806 F\n0.485053 0.325232 0.340806 F\n0.325233 0.855754 0.340806 F\n0.754159 0.754159 0.508319 F\n0.245842 0.245842 0.491682 F\n0.223544 0.365950 0.127349 F\n0.514948 0.674769 0.659195 F\n0.144247 0.984427 0.659195 F\n",
"nsites": 22,
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"elements": [
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"Xe",
"F"
],
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"density": 4.193803582100144,
"density_atomic": 0.06773487224368323,
"volume": 324.79577020316384,
"volume_molar": 8.890753847345758,
"formula_full": "Ag2 Xe2 F18",
"formula_reduced": "AgXeF9",
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},
{
"id": "jvasp-58912",
"created_at": "2022-09-04T14:37:02.701674Z",
"updated_at": "2022-09-04T14:37:02.701693Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.289175 -0.121491 2.234965\n1.709700 8.111851 2.234965\n-0.116474 -0.093078 8.592851\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Sb\n0.706324 0.706323 0.706505 S\n0.293677 0.293676 0.293496 S\n0.968131 0.968130 0.293210 Cl\n0.653425 0.653424 0.953432 Cl\n0.346576 0.346576 0.046568 Cl\n0.046567 0.346385 0.346242 Cl\n0.653615 0.953433 0.653759 Cl\n0.953434 0.653615 0.653759 Cl\n0.346386 0.046567 0.346242 Cl\n0.685564 0.685564 0.358831 Cl\n0.314437 0.314436 0.641170 Cl\n0.358338 0.685253 0.685421 Cl\n0.641663 0.314747 0.314580 Cl\n0.685254 0.358337 0.685421 Cl\n0.968351 0.293389 0.968393 Cl\n0.706611 0.031650 0.031607 Cl\n0.031650 0.706610 0.031607 Cl\n0.293390 0.968349 0.968394 Cl\n0.031870 0.031870 0.706791 Cl\n0.314747 0.641662 0.314580 Cl\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Cl-S-Sb",
"density": 2.6935092761881094,
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"volume": 583.0848645040502,
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"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
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"spacegroup": 166
},
{
"id": "jvasp-95533",
"created_at": "2022-09-04T14:36:21.613639Z",
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{
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}