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{
"id": "jvasp-92427",
"created_at": "2022-09-04T14:36:03.710776Z",
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"structure_string": "Sr1 P2 Pd2\n1.0\n3.979022 -0.000000 -1.591382\n-0.636462 3.927790 -1.591382\n0.001562 0.001835 5.774083\nSr P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.614678 0.614679 0.229358 P\n0.385321 0.385322 0.770642 P\n0.250000 0.750001 0.500000 Pd\n0.750000 0.250001 0.500000 Pd\n",
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{
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"structure_string": "Be2 Ga1 Fe2\n1.0\n-1.738990 1.738990 4.700276\n1.738990 -1.738990 4.700276\n1.738990 1.738990 -4.700276\nBe Ga Fe\n2 1 2\ndirect\n0.607831 0.607831 0.000000 Be\n0.392170 0.392170 0.000000 Be\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n",
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{
"id": "jvasp-91342",
"created_at": "2022-09-04T14:36:01.278543Z",
"updated_at": "2022-09-04T14:36:01.278569Z",
"structure_string": "Mo12 S6 Br12\n1.0\n6.658047 0.000000 0.000000\n-3.329023 8.732291 -0.000000\n0.000000 0.000000 12.046394\nMo S Br\n12 6 12\ndirect\n0.008617 0.847586 0.101367 Mo\n0.991384 0.152414 0.601367 Mo\n0.838971 0.847586 0.898632 Mo\n0.991384 0.152414 0.898632 Mo\n0.838971 0.847586 0.601367 Mo\n0.008617 0.847586 0.398633 Mo\n0.161030 0.152414 0.101367 Mo\n0.255660 0.000000 0.938753 Mo\n0.255660 0.000000 0.561246 Mo\n0.744340 0.000000 0.438754 Mo\n0.744340 0.000000 0.061246 Mo\n0.161030 0.152414 0.398633 Mo\n0.383460 0.000000 0.371211 S\n0.383460 0.000000 0.128788 S\n0.616541 0.000000 0.871211 S\n0.616541 0.000000 0.628788 S\n0.910710 0.000000 0.250000 S\n0.089290 0.000000 0.750000 S\n0.407276 0.302589 0.564739 Br\n0.614108 0.638304 0.750000 Br\n0.104686 0.697411 0.935260 Br\n0.975802 0.361696 0.750000 Br\n0.024199 0.638304 0.250000 Br\n0.407276 0.302589 0.935260 Br\n0.592725 0.697411 0.435260 Br\n0.895315 0.302589 0.064739 Br\n0.592725 0.697411 0.064739 Br\n0.104686 0.697411 0.564739 Br\n0.385893 0.361696 0.250000 Br\n0.895315 0.302589 0.435260 Br\n",
"nsites": 30,
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"elements": [
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"volume": 700.37739408886,
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"formula_full": "Mo12 S6 Br12",
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"spacegroup": 63
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{
"id": "jvasp-86875",
"created_at": "2022-09-04T14:35:52.041596Z",
"updated_at": "2022-09-04T14:35:52.041616Z",
"structure_string": "Tb4 In2 Ge4\n1.0\n4.170907 0.000000 -0.000000\n-0.000000 7.448725 0.000000\n0.000000 -0.000000 7.448725\nTb In Ge\n4 2 4\ndirect\n0.500000 0.821221 0.321222 Tb\n0.500000 0.178778 0.678778 Tb\n0.500000 0.321222 0.178778 Tb\n0.500000 0.678778 0.821221 Tb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.879091 0.620908 Ge\n0.000000 0.120909 0.379091 Ge\n0.000000 0.379091 0.879091 Ge\n0.000000 0.620908 0.120909 Ge\n",
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{
"id": "jvasp-71871",
"created_at": "2022-09-04T14:35:54.446392Z",
"updated_at": "2022-09-04T14:35:54.446416Z",
"structure_string": "Be2 Cu1 Pt2\n1.0\n-1.556218 1.556218 6.451593\n1.556218 -1.556218 6.451593\n1.556218 1.556218 -6.451593\nBe Cu Pt\n2 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Be\n0.000000 0.000000 0.000000 Cu\n0.618943 0.618943 0.000000 Pt\n0.381057 0.381057 0.000000 Pt\n",
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{
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"updated_at": "2022-09-04T14:35:52.860068Z",
"structure_string": "Eu2 Zn4 Sn4\n1.0\n4.256361 0.000000 0.000000\n0.000000 4.655319 -0.418894\n0.000000 -0.903993 11.865219\nEu Zn Sn\n2 4 4\ndirect\n0.748288 0.703624 0.256720 Eu\n0.248288 0.296377 0.743280 Eu\n0.248260 0.193735 0.354411 Zn\n0.748289 0.336644 -0.007053 Zn\n0.748260 0.806266 0.645590 Zn\n0.248289 0.663357 0.007053 Zn\n0.248297 0.191510 0.137000 Sn\n0.748297 0.808491 0.863000 Sn\n0.748265 0.255580 0.508877 Sn\n0.248265 0.744421 0.491124 Sn\n",
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],
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"density": 7.399034339206712,
"density_atomic": 0.04282761916925993,
"volume": 233.4941842197389,
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"formula_full": "Eu2 Zn4 Sn4",
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"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-86447",
"created_at": "2022-09-04T14:35:51.788168Z",
"updated_at": "2022-09-04T14:35:51.788179Z",
"structure_string": "V2 Cr4 C4\n1.0\n2.847629 -0.000000 0.000000\n-1.423815 4.592533 -0.000000\n0.000000 -0.000000 7.101161\nV Cr C\n2 4 4\ndirect\n0.404364 0.808725 0.750000 V\n0.595638 0.191274 0.250000 V\n0.140546 0.281092 0.573513 Cr\n0.859456 0.718907 0.426487 Cr\n0.859456 0.718907 0.073513 Cr\n0.140546 0.281092 0.926487 Cr\n0.249553 0.499104 0.250000 C\n0.750449 0.500895 0.750000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.399677969207228,
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"formula_full": "V2 Cr4 C4",
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{
"id": "jvasp-92614",
"created_at": "2022-09-04T14:35:50.032171Z",
"updated_at": "2022-09-04T14:35:50.032195Z",
"structure_string": "U2 Ir1 C2\n1.0\n3.488909 -0.000000 0.000000\n-0.000000 3.488909 0.000000\n-1.744455 -1.744455 6.246704\nU Ir C\n2 1 2\ndirect\n0.645922 0.645922 0.291843 U\n0.354077 0.354077 0.708156 U\n0.000000 0.000000 0.000000 Ir\n0.829448 0.829448 0.658896 C\n0.170551 0.170551 0.341103 C\n",
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},
{
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"created_at": "2022-09-04T14:35:51.788859Z",
"updated_at": "2022-09-04T14:35:51.788890Z",
"structure_string": "Ce1 Mn2 Ge2\n1.0\n3.838539 -0.000000 -1.358457\n-0.480757 3.808314 -1.358457\n-0.088360 -0.100216 5.852757\nCe Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.749999 0.499999 Mn\n0.750000 0.249999 0.500000 Mn\n0.630530 0.630529 0.261060 Ge\n0.369469 0.369468 0.738939 Ge\n",
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{
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"created_at": "2022-09-04T14:36:00.201537Z",
"updated_at": "2022-09-04T14:36:00.201558Z",
"structure_string": "La1 Co2 Ge2\n1.0\n4.077652 -0.000000 -0.000000\n-0.000000 4.077652 -0.000000\n-2.038825 -2.038825 5.219670\nLa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.749999 0.500000 Co\n0.749999 0.249999 0.500000 Co\n0.636574 0.636574 0.273149 Ge\n0.363425 0.363425 0.726851 Ge\n",
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{
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"created_at": "2022-09-04T14:35:57.514746Z",
"updated_at": "2022-09-04T14:35:57.514767Z",
"structure_string": "Ba1 Zn2 Si2\n1.0\n4.552118 0.000000 -0.000000\n0.000000 4.552118 0.000000\n-2.276059 -2.276059 5.099229\nBa Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.620611 0.620611 0.241222 Si\n0.379389 0.379389 0.758778 Si\n",
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