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{
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"results": [
{
"id": "jvasp-117754",
"created_at": "2022-09-04T14:38:26.062410Z",
"updated_at": "2022-09-04T14:38:26.062435Z",
"structure_string": "C2 Br1\n1.0\n6.212124 0.000000 0.000000\n0.000000 3.492049 0.000000\n0.000000 0.000000 2.565393\nC Br\n2 1\ndirect\n-0.033326 0.000000 0.746793 C\n-0.033326 0.000000 0.253206 C\n0.466652 0.000000 0.000000 Br\n",
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"volume": 55.65117656159595,
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"formula_full": "C2 Br1",
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{
"id": "jvasp-12680",
"created_at": "2022-09-04T14:36:52.325445Z",
"updated_at": "2022-09-04T14:36:52.325458Z",
"structure_string": "Ti2 Si4 O12\n1.0\n6.327398 0.018657 -1.655214\n-0.245640 6.322655 1.655214\n-0.000164 0.000158 5.354514\nTi Si O\n2 4 12\ndirect\n0.893116 0.893116 0.250000 Ti\n0.106885 0.106885 0.749999 Ti\n0.785688 0.382612 0.246804 Si\n0.617389 0.214313 0.746804 Si\n0.382612 0.785689 0.253195 Si\n0.214313 0.617389 0.753195 Si\n0.954207 0.186633 0.365390 O\n0.813369 0.045794 0.865390 O\n0.898745 0.619134 0.222070 O\n0.045794 0.813369 0.634609 O\n0.649848 0.366557 0.953125 O\n0.350154 0.633444 0.046874 O\n0.619134 0.898745 0.277929 O\n0.366557 0.649847 0.546874 O\n0.101256 0.380867 0.777929 O\n0.186632 0.954207 0.134609 O\n0.380867 0.101256 0.722070 O\n0.633444 0.350154 0.453125 O\n",
"nsites": 18,
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{
"id": "jvasp-38446",
"created_at": "2022-09-04T14:38:02.411784Z",
"updated_at": "2022-09-04T14:38:02.411813Z",
"structure_string": "Li3 Cd1\n1.0\n-2.139668 2.139668 3.895982\n2.139668 -2.139668 3.895982\n2.139668 2.139668 -3.895982\nLi Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 3.100947745024046,
"density_atomic": 0.05606479972497364,
"volume": 71.34601424819199,
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"formula_full": "Li3 Cd1",
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"spacegroup": 139
},
{
"id": "jvasp-47889",
"created_at": "2022-09-04T14:36:49.241159Z",
"updated_at": "2022-09-04T14:36:49.241183Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.830007 0.034648\n5.620423 0.000000 0.000000\n0.000000 -4.719458 -6.265924\nLi Cr Si O\n4 2 2 8\ndirect\n0.505928 0.815234 0.001693 Li\n0.250125 0.346590 0.744779 Li\n0.505927 0.184765 0.501693 Li\n0.250126 0.653409 0.244779 Li\n0.010391 0.152653 -0.011103 Cr\n0.010390 0.847347 0.488896 Cr\n0.739082 0.666155 0.746533 Si\n0.739082 0.333844 0.246533 Si\n0.064956 0.801813 0.966832 O\n0.847496 0.389441 0.743225 O\n0.399749 0.663396 0.749125 O\n0.619271 0.821851 0.528912 O\n0.064956 0.198187 0.466832 O\n0.847496 0.610559 0.243226 O\n0.399749 0.336603 0.249126 O\n0.619272 0.178148 0.028913 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.100848158355476,
"density_atomic": 0.0945738274536111,
"volume": 169.17999864019538,
"volume_molar": 6.367661034924157,
"formula_full": "Li4 Cr2 Si2 O8",
"formula_reduced": "Li2CrSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4717725,
"spacegroup": 7
},
{
"id": "jvasp-118126",
"created_at": "2022-09-04T14:38:44.628770Z",
"updated_at": "2022-09-04T14:38:44.628789Z",
"structure_string": "Ti2 P2 Cl2\n1.0\n3.461605 0.000000 0.000000\n0.000000 4.897063 0.000000\n0.000000 0.000000 7.221268\nTi P Cl\n2 2 2\ndirect\n0.499999 0.000000 0.119598 Ti\n0.000000 0.500000 0.880402 Ti\n0.000000 0.000000 0.875554 P\n0.499999 0.500000 0.124446 P\n0.499999 0.500000 0.637955 Cl\n0.000000 0.000000 0.362045 Cl\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.049014501115122226,
"volume": 122.41275262411774,
"volume_molar": 12.286447118691607,
"formula_full": "Ti2 P2 Cl2",
"formula_reduced": "TiPCl",
"formula_anonymous": "ABC",
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"spacegroup": 59
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{
"id": "jvasp-65656",
"created_at": "2022-09-04T14:36:02.643803Z",
"updated_at": "2022-09-04T14:36:02.643823Z",
"structure_string": "Ba1 Na2 Ga1\n1.0\n4.202624 -0.000000 -0.000000\n-0.000000 4.202624 0.000000\n0.000000 0.000000 7.672023\nBa Na Ga\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ba\n0.000000 0.000000 0.687585 Na\n0.000000 0.000000 0.312415 Na\n0.499999 0.499999 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.100768561933122,
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"volume": 135.50364220691984,
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"formula_full": "Ba1 Na2 Ga1",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-107670",
"created_at": "2022-09-04T14:37:17.380604Z",
"updated_at": "2022-09-04T14:37:17.380624Z",
"structure_string": "Li3 Yb1\n1.0\n4.568714 -0.000000 2.637748\n1.522905 4.307425 2.637748\n-0.000000 -0.000000 5.275497\nYb Li\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.249999 0.250000 0.250000 Li\n0.749998 0.750001 0.750001 Li\n0.499999 0.500001 0.500001 Li\n",
"nsites": 4,
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"elements": [
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"Li"
],
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"density": 3.1007656876836434,
"density_atomic": 0.038528749563273394,
"volume": 103.81857821342076,
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"formula_full": "Li3 Yb1",
"formula_reduced": "Li3Yb",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-14877",
"created_at": "2022-09-04T14:35:49.627605Z",
"updated_at": "2022-09-04T14:35:49.627625Z",
"structure_string": "Mg4 Ge2\n1.0\n4.922672 -0.000000 2.842106\n1.640891 4.641140 2.842106\n0.000000 0.000000 5.684213\nMg Ge\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n0.125000 0.125000 0.125000 Ge\n0.874999 0.875000 0.875001 Ge\n",
"nsites": 6,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Mg",
"density": 3.100736976434617,
"density_atomic": 0.0462014215380101,
"volume": 129.86613399035298,
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"formula_full": "Mg4 Ge2",
"formula_reduced": "Mg2Ge",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-108863",
"created_at": "2022-09-04T14:38:19.893281Z",
"updated_at": "2022-09-04T14:38:19.893304Z",
"structure_string": "Rb2 Na1 Mo1 Cl6\n1.0\n6.276400 -0.000000 3.623681\n2.092133 5.917446 3.623681\n-0.000000 -0.000000 7.247362\nRb Na Mo Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.761192 0.238808 0.238807 Cl\n0.238807 0.238808 0.761192 Cl\n0.238807 0.761193 0.761192 Cl\n0.238807 0.761193 0.238807 Cl\n0.761192 0.238808 0.761192 Cl\n0.761192 0.761193 0.238807 Cl\n",
"nsites": 10,
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"density": 3.100504308988658,
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"volume": 269.1688950385997,
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"formula_full": "Rb2 Na1 Mo1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-50663",
"created_at": "2022-09-04T14:37:07.720893Z",
"updated_at": "2022-09-04T14:37:07.720911Z",
"structure_string": "Li3 Ti1 P2 O8\n1.0\n4.954826 -0.003537 -0.007425\n1.930836 4.563309 -0.000766\n0.042996 0.019957 6.124318\nLi Ti P O\n3 1 2 8\ndirect\n0.671466 0.166277 0.274147 Li\n0.002087 0.497112 0.501604 Li\n0.332783 0.827881 0.729089 Li\n0.002184 0.497016 0.001617 Ti\n0.651627 0.146481 0.762476 P\n0.352743 0.847558 0.240765 P\n0.247005 0.741857 0.443001 O\n0.247748 0.742562 0.030718 O\n0.307251 0.256592 0.768046 O\n0.761736 0.802112 0.768048 O\n0.242648 0.191925 0.235179 O\n0.697127 0.737428 0.235206 O\n0.756640 0.251455 0.972520 O\n0.757363 0.252192 0.560239 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.1004982301071413,
"density_atomic": 0.10107109061730346,
"volume": 138.51636421941595,
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"formula_full": "Li3 Ti1 P2 O8",
"formula_reduced": "Li3Ti(PO4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-11743",
"created_at": "2022-09-04T14:37:05.798250Z",
"updated_at": "2022-09-04T14:37:05.798277Z",
"structure_string": "Li2 V4 O10\n1.0\n3.616909 0.000000 0.000000\n-1.808454 4.939126 0.000000\n0.000000 -0.000000 11.321937\nLi V O\n2 4 10\ndirect\n0.899126 0.798247 0.750000 Li\n0.100876 0.201752 0.250000 Li\n0.204160 0.408319 0.601581 V\n0.204160 0.408319 0.898419 V\n0.795843 0.591683 0.101581 V\n0.795843 0.591683 0.398419 V\n0.958138 0.916271 0.126218 O\n0.715201 0.430399 0.250000 O\n0.284801 0.569600 0.750000 O\n0.241691 0.483380 0.071284 O\n0.041865 0.083730 0.626218 O\n0.958138 0.916271 0.373783 O\n0.758312 0.516621 0.928717 O\n0.758312 0.516621 0.571284 O\n0.241691 0.483380 0.428716 O\n0.041865 0.083730 0.873782 O\n",
"nsites": 16,
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"volume": 202.2592635502632,
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"formula_full": "Li2 V4 O10",
"formula_reduced": "LiV2O5",
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"spacegroup": 63
},
{
"id": "jvasp-2790",
"created_at": "2022-09-04T14:36:46.525550Z",
"updated_at": "2022-09-04T14:36:46.525577Z",
"structure_string": "Si3 Ni1 P4\n1.0\n4.770924 -0.000000 -2.128604\n-0.949702 4.675444 -2.128604\n-0.001109 -0.001357 6.408445\nSi Ni P\n3 1 4\ndirect\n0.250000 0.749999 0.500001 Si\n0.500000 0.500000 0.000000 Si\n0.749999 0.249999 0.500001 Si\n0.000000 0.000000 0.000000 Ni\n0.639805 0.123040 0.762846 P\n0.123041 0.639804 0.762846 P\n0.876959 0.876958 0.237156 P\n0.360194 0.360194 0.237155 P\n",
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"formula_full": "Si3 Ni1 P4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 121
}
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}