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{
"id": "jvasp-23408",
"created_at": "2022-09-04T14:37:47.315927Z",
"updated_at": "2022-09-04T14:37:47.315959Z",
"structure_string": "Mn4 Nb4 P4\n1.0\n3.671065 0.000000 0.000000\n-0.000000 6.139382 0.000000\n0.000000 0.000000 7.056590\nMn Nb P\n4 4 4\ndirect\n0.749999 0.851269 0.560291 Mn\n0.250000 0.148730 0.439709 Mn\n0.749999 0.351270 0.939709 Mn\n0.250000 0.648730 0.060291 Mn\n0.250000 0.522558 0.677939 Nb\n0.749999 0.477441 0.322061 Nb\n0.250000 0.022559 0.822061 Nb\n0.749999 0.977441 0.177939 Nb\n0.250000 0.280981 0.121095 P\n0.749999 0.719019 0.878905 P\n0.250000 0.780981 0.378905 P\n0.749999 0.219019 0.621095 P\n",
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{
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"structure_string": "Zr1 Si1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nZr Si O\n1 1 1\ndirect\n0.000000 0.000000 0.719086 Zr\n0.000000 0.000000 -0.011164 Si\n0.000000 0.000000 0.232139 O\n",
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{
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"updated_at": "2022-09-04T14:38:52.345457Z",
"structure_string": "Zr1 N1 Cl1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nZr N Cl\n1 1 1\ndirect\n0.003187 0.316170 0.000000 Zr\n0.231611 0.004237 0.000000 N\n-0.034098 -0.048380 0.000000 Cl\n",
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},
{
"id": "jvasp-102711",
"created_at": "2022-09-04T14:36:46.981388Z",
"updated_at": "2022-09-04T14:36:46.981401Z",
"structure_string": "Mn4 Sb3 As1\n1.0\n3.963418 -0.000000 0.000000\n-1.981709 3.432421 0.000000\n-0.000000 -0.000000 11.215805\nMn Sb As\n4 3 1\ndirect\n0.000000 0.000000 0.615129 Mn\n0.000000 0.000000 0.126997 Mn\n0.000000 0.000000 0.873003 Mn\n0.000000 0.000000 0.384870 Mn\n0.666667 0.333333 -0.000000 Sb\n0.333333 0.666666 0.745095 Sb\n0.333333 0.666666 0.254904 Sb\n0.666667 0.333333 0.500000 As\n",
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"spacegroup": 187
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{
"id": "jvasp-32687",
"created_at": "2022-09-04T14:36:44.643968Z",
"updated_at": "2022-09-04T14:36:44.643995Z",
"structure_string": "Co1 Sn1 C4 Cl3 O4\n1.0\n6.376165 -0.002055 -1.120337\n-1.334865 6.234734 -1.120848\n-0.001147 -0.001934 6.473672\nCo Sn C Cl O\n1 1 4 3 4\ndirect\n0.270842 0.270852 0.270840 Co\n-0.007478 -0.007494 -0.007479 Sn\n0.299386 0.053635 0.406939 C\n0.406976 0.299395 0.053619 C\n0.053622 0.406951 0.299392 C\n0.468380 0.468427 0.468400 C\n0.672169 0.878360 0.105963 Cl\n0.105918 0.672153 0.878356 Cl\n0.878378 0.105911 0.672184 Cl\n0.496812 0.321009 0.917247 O\n0.594920 0.594975 0.594955 O\n0.917247 0.496757 0.321022 O\n0.321015 0.917266 0.496751 O\n",
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"elements": [
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"formula_full": "Co1 Sn1 C4 Cl3 O4",
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{
"id": "jvasp-28835",
"created_at": "2022-09-04T14:36:39.659940Z",
"updated_at": "2022-09-04T14:36:39.659953Z",
"structure_string": "Mo2 W2 Se8\n1.0\n3.327630 0.000000 -0.000003\n-1.663814 2.881832 -0.000022\n-0.000028 -0.000286 35.197480\nMo W Se\n2 2 8\ndirect\n0.333322 0.666642 0.469252 Mo\n0.666678 0.333356 0.282206 Mo\n0.333310 0.666619 0.094746 W\n0.666690 0.333379 0.656712 W\n0.333335 0.666667 0.329750 Se\n0.333370 0.666738 0.704459 Se\n0.666630 0.333260 0.046999 Se\n0.666665 0.333331 0.421708 Se\n0.666666 0.333329 0.142552 Se\n0.666648 0.333294 0.516793 Se\n0.333352 0.666704 0.234665 Se\n0.333334 0.666669 0.608907 Se\n",
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{
"id": "jvasp-29172",
"created_at": "2022-09-04T14:38:16.265040Z",
"updated_at": "2022-09-04T14:38:16.265054Z",
"structure_string": "Mo2 W2 Se8\n1.0\n3.327554 0.000000 0.000000\n-1.663777 2.881747 -0.000020\n0.000000 -0.000261 35.224924\nMo W Se\n2 2 8\ndirect\n0.333319 0.666639 0.094754 Mo\n0.333325 0.666652 0.469369 Mo\n0.666672 0.333347 0.282100 W\n0.666681 0.333365 0.656692 W\n0.333344 0.666691 0.329865 Se\n0.333353 0.666710 0.704403 Se\n0.666652 0.333306 0.047299 Se\n0.666653 0.333306 0.421866 Se\n0.666652 0.333305 0.142268 Se\n0.666665 0.333331 0.516874 Se\n0.333334 0.666670 0.234335 Se\n0.333342 0.666687 0.608922 Se\n",
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"formula_full": "Mo2 W2 Se8",
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"spacegroup": 156
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{
"id": "jvasp-28808",
"created_at": "2022-09-04T14:38:15.216187Z",
"updated_at": "2022-09-04T14:38:15.216205Z",
"structure_string": "Mo2 W2 Se8\n1.0\n3.327577 0.000000 0.000000\n-1.663788 2.881760 -0.000005\n0.000000 -0.000067 35.217421\nMo W Se\n2 2 8\ndirect\n0.333319 0.666639 0.094947 Mo\n0.666673 0.333345 0.281841 Mo\n0.333333 0.666666 0.469150 W\n0.666674 0.333348 0.656977 W\n0.333341 0.666683 0.329355 Se\n0.333349 0.666698 0.704697 Se\n0.666658 0.333315 0.047484 Se\n0.666663 0.333324 0.421375 Se\n0.666647 0.333291 0.142472 Se\n0.666668 0.333334 0.516924 Se\n0.333340 0.666680 0.234326 Se\n0.333335 0.666672 0.609200 Se\n",
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"density": 5.857400145074417,
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{
"id": "jvasp-35228",
"created_at": "2022-09-04T14:37:39.944647Z",
"updated_at": "2022-09-04T14:37:39.944662Z",
"structure_string": "Ce1 As12 Ru4\n1.0\n-4.305179 -4.305179 4.305179\n-4.305179 4.305179 -4.305179\n4.305179 -4.305179 -4.305179\nCe As Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.196493 0.850370 0.346124 As\n0.803507 0.149631 0.653877 As\n0.495754 0.149631 0.346124 As\n0.504246 0.850370 0.653877 As\n0.653877 0.803507 0.149631 As\n0.346124 0.196493 0.850370 As\n0.653877 0.504246 0.850370 As\n0.850370 0.346124 0.196493 As\n0.149631 0.653877 0.803507 As\n0.149631 0.346124 0.495754 As\n0.850370 0.653877 0.504246 As\n0.346124 0.495754 0.149631 As\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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{
"id": "jvasp-28951",
"created_at": "2022-09-04T14:38:10.952944Z",
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"structure_string": "Mo2 W2 Se8\n1.0\n3.327482 0.000006 0.000001\n-1.663736 2.881708 -0.000028\n0.000013 -0.000314 35.258607\nMo W Se\n2 2 8\ndirect\n0.333307 0.666616 0.094787 Mo\n0.666692 0.333387 0.656671 Mo\n0.333323 0.666645 0.469498 W\n0.666676 0.333358 0.281960 W\n0.333347 0.666696 0.329676 Se\n0.333361 0.666723 0.704081 Se\n0.666638 0.333280 0.047377 Se\n0.666652 0.333307 0.421782 Se\n0.666646 0.333298 0.142254 Se\n0.666663 0.333330 0.517217 Se\n0.333336 0.666673 0.234241 Se\n0.333353 0.666705 0.609204 Se\n",
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{
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"created_at": "2022-09-04T14:35:57.645710Z",
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"structure_string": "Na2 V12 O22\n1.0\n5.674403 0.000000 -0.000000\n-2.837201 4.914177 0.000000\n0.000000 -0.000000 13.642592\nNa V O\n2 12 22\ndirect\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.500000 0.000000 0.500000 V\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.850709 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.649290 V\n0.000000 0.000000 0.149290 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.350709 V\n0.333333 0.666667 0.599282 O\n0.333333 0.666667 0.900718 O\n0.330737 0.165368 0.574529 O\n0.834632 0.669263 0.925470 O\n0.669263 0.834632 0.074529 O\n0.666667 0.333333 0.099282 O\n0.834631 0.165368 0.574529 O\n0.165369 0.834632 0.425470 O\n0.165368 0.330738 0.425470 O\n0.866844 0.133156 0.750000 O\n0.266311 0.133156 0.750000 O\n0.834632 0.669263 0.574529 O\n0.165368 0.330738 0.074529 O\n0.330737 0.165368 0.925470 O\n0.133156 0.266311 0.250000 O\n0.133156 0.866845 0.250000 O\n0.666667 0.333333 0.400718 O\n0.733689 0.866845 0.250000 O\n0.165369 0.834632 0.074529 O\n0.669263 0.834632 0.425470 O\n0.834631 0.165368 0.925470 O\n0.866844 0.733689 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:38:31.384048Z",
"structure_string": "Mo8 Ru4 Se16\n1.0\n6.697261 -0.023335 -0.014546\n-0.828577 9.224842 0.001738\n-0.123769 -0.016795 9.789582\nMo Ru Se\n8 4 16\ndirect\n0.766530 0.519566 0.067065 Mo\n0.766526 0.021394 0.566548 Mo\n0.583155 0.108109 0.346498 Mo\n0.540898 0.325316 0.912931 Mo\n0.459101 0.674685 0.087069 Mo\n0.416844 0.891892 0.653502 Mo\n0.233473 0.978607 0.433451 Mo\n0.233470 0.480435 0.932934 Mo\n0.451331 0.180881 0.591260 Ru\n0.411087 0.391302 0.162541 Ru\n0.588913 0.608699 0.837458 Ru\n0.548669 0.819120 0.408740 Ru\n0.279711 0.748778 0.869917 Se\n0.209310 0.215237 0.008594 Se\n0.261832 0.252590 0.381411 Se\n0.218337 0.711743 0.495040 Se\n0.367327 0.431306 0.695142 Se\n0.373585 0.921545 0.199309 Se\n0.626414 0.078456 0.800690 Se\n0.869146 0.447832 0.818901 Se\n0.790689 0.784763 0.991404 Se\n0.781662 0.288258 0.504959 Se\n0.738168 0.747411 0.618588 Se\n0.720288 0.251222 0.130082 Se\n0.130854 0.552168 0.181098 Se\n0.868480 0.946447 0.318696 Se\n0.632672 0.568694 0.304858 Se\n0.131520 0.053554 0.681304 Se\n",
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}
]
}