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"results": [
{
"id": "jvasp-112769",
"created_at": "2022-09-04T14:38:42.296104Z",
"updated_at": "2022-09-04T14:38:42.296133Z",
"structure_string": "Li2 Fe2 P4 H3 O16\n1.0\n4.798979 -0.018903 -1.143089\n0.262958 7.983408 -0.070326\n0.050736 -0.023833 7.237605\nLi Fe P H O\n2 2 4 3 16\ndirect\n0.360981 0.850538 0.828084 Li\n0.628958 0.149550 0.173478 Li\n0.498308 0.501767 0.001640 Fe\n-0.001690 0.997479 0.496558 Fe\n0.120774 0.341036 0.265086 P\n0.371383 0.849193 0.236623 P\n0.626663 0.152799 0.754314 P\n0.875078 0.659289 0.735654 P\n0.963893 0.014926 0.985112 H\n0.330303 0.396523 0.571029 H\n0.661046 0.604368 0.430182 H\n0.652973 0.682575 0.854460 O\n0.845583 0.165085 0.629941 O\n0.761645 0.554274 0.554543 O\n0.610998 0.962703 0.332625 O\n0.481427 0.668076 0.216783 O\n0.770214 0.079430 0.955175 O\n0.345220 0.319306 0.148177 O\n0.158488 0.834574 0.369487 O\n0.516345 0.330117 0.784627 O\n0.392564 0.034856 0.668349 O\n0.229224 0.446170 0.446934 O\n0.861819 0.429231 0.147968 O\n0.134531 0.569895 0.851242 O\n0.958565 0.836395 0.680983 O\n0.232137 0.924802 0.044771 O\n0.038751 0.163085 0.318165 O\n",
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{
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"updated_at": "2022-09-04T14:36:03.215309Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
"nsites": 14,
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"volume": 277.78845973983215,
"volume_molar": 11.94915147183473,
"formula_full": "Ti8 Mn2 Bi4",
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"spacegroup": 140
},
{
"id": "jvasp-86858",
"created_at": "2022-09-04T14:35:40.821999Z",
"updated_at": "2022-09-04T14:35:40.822013Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
"nsites": 14,
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],
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"spacegroup": 140
},
{
"id": "jvasp-108995",
"created_at": "2022-09-04T14:37:46.339817Z",
"updated_at": "2022-09-04T14:37:46.339841Z",
"structure_string": "Na2 Nd1 Cu1 Cl6\n1.0\n6.342937 -0.000000 3.662096\n2.114312 5.980179 3.662096\n-0.000000 -0.000000 7.324193\nNa Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cu\n0.739647 0.260353 0.260354 Cl\n0.260353 0.260353 0.739647 Cl\n0.260353 0.739647 0.739647 Cl\n0.260353 0.739647 0.260354 Cl\n0.739647 0.260353 0.739647 Cl\n0.739647 0.739647 0.260354 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "Na2 Nd1 Cu1 Cl6",
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},
{
"id": "jvasp-10117",
"created_at": "2022-09-04T14:38:15.208637Z",
"updated_at": "2022-09-04T14:38:15.208658Z",
"structure_string": "Na4 Cd4 As4\n1.0\n4.494983 -0.000000 0.000000\n-0.000000 7.570547 0.000000\n0.000000 0.000000 8.164206\nNa Cd As\n4 4 4\ndirect\n0.250000 0.517907 0.675136 Na\n0.750000 0.482093 0.324865 Na\n0.250000 0.017907 0.824865 Na\n0.750000 0.982094 0.175135 Na\n0.750000 0.848894 0.575179 Cd\n0.750000 0.348894 0.924822 Cd\n0.250000 0.651106 0.075178 Cd\n0.250000 0.151106 0.424822 Cd\n0.250000 0.775842 0.391876 As\n0.750000 0.724159 0.891876 As\n0.750000 0.224159 0.608125 As\n0.250000 0.275841 0.108125 As\n",
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"formula_full": "Na4 Cd4 As4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-112209",
"created_at": "2022-09-04T14:38:46.680337Z",
"updated_at": "2022-09-04T14:38:46.680363Z",
"structure_string": "Sn2 H16 C8 F4\n1.0\n4.422193 0.011810 -0.034387\n-1.841858 7.114428 -0.316533\n0.037711 0.011421 8.824541\nSn H C F\n2 16 8 4\ndirect\n0.999492 0.896753 0.008952 Sn\n0.429489 0.580829 0.497564 Sn\n0.122445 0.849096 0.722152 H\n0.815568 0.964535 0.729734 H\n0.379420 0.142233 0.631860 H\n0.334590 0.626133 0.204551 H\n0.648526 0.519195 0.226802 H\n0.240154 0.294817 0.087121 H\n0.945886 0.327358 0.212086 H\n0.487291 0.176271 0.824262 H\n0.049693 0.335527 0.874742 H\n0.306538 0.628634 0.784335 H\n0.613457 0.513227 0.776826 H\n0.780519 0.958488 0.279715 H\n0.094440 0.851539 0.301979 H\n0.483176 0.150311 0.294404 H\n0.188927 0.182856 0.419377 H\n0.941729 0.301439 0.682351 H\n0.048515 0.968488 0.774654 C\n0.284870 0.153951 0.746453 C\n0.405733 0.510688 0.257276 C\n0.237311 0.156695 0.298334 C\n0.144185 0.323772 0.760141 C\n0.380508 0.509226 0.731889 C\n0.023305 0.966977 0.249237 C\n0.191750 0.320974 0.208161 C\n0.527215 0.860448 0.506825 F\n0.901728 0.617137 -0.000288 F\n0.501612 0.896159 0.010141 F\n0.927290 0.581204 0.496345 F\n",
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},
{
"id": "jvasp-103160",
"created_at": "2022-09-04T14:37:10.817024Z",
"updated_at": "2022-09-04T14:37:10.817046Z",
"structure_string": "K2 Na1 In1 Cl6\n1.0\n6.343225 0.000000 3.662263\n2.114408 5.980450 3.662263\n-0.000000 -0.000000 7.324525\nK Na In Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.756777 0.243223 0.243223 Cl\n0.243224 0.243223 0.756777 Cl\n0.243224 0.756777 0.756777 Cl\n0.243224 0.756777 0.243223 Cl\n0.756777 0.243223 0.756776 Cl\n0.756777 0.756777 0.243223 Cl\n",
"nsites": 10,
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"density_atomic": 0.035989561404669995,
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"formula_full": "K2 Na1 In1 Cl6",
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},
{
"id": "jvasp-21893",
"created_at": "2022-09-04T14:37:39.265149Z",
"updated_at": "2022-09-04T14:37:39.265159Z",
"structure_string": "Hf6 Sb6\n1.0\n3.792846 -0.000000 -0.000000\n-1.896422 5.230266 0.000000\n0.000000 -0.000000 14.007333\nHf Sb\n6 6\ndirect\n0.612331 0.224660 0.250000 Hf\n0.387672 0.775340 0.750000 Hf\n0.071521 0.143041 0.608390 Hf\n0.928481 0.856959 0.391610 Hf\n0.928481 0.856959 0.108390 Hf\n0.071521 0.143041 0.891610 Hf\n0.325254 0.650507 0.250000 Sb\n0.674748 0.349494 0.750000 Sb\n0.358577 0.717150 0.549615 Sb\n0.641426 0.282850 0.450385 Sb\n0.641426 0.282850 0.049615 Sb\n0.358577 0.717150 0.950385 Sb\n",
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{
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"created_at": "2022-09-04T14:38:02.866248Z",
"updated_at": "2022-09-04T14:38:02.866260Z",
"structure_string": "Li6 V2 P2 C2 O14\n1.0\n0.000000 5.150005 0.050260\n6.576259 0.000000 0.000000\n0.000000 -0.279291 -8.207687\nLi V P C O\n6 2 2 2 14\ndirect\n0.043956 0.512192 0.005389 Li\n0.418776 0.230941 0.835346 Li\n0.429834 0.366303 0.496441 Li\n0.570165 0.866303 0.503560 Li\n0.581223 0.730941 0.164654 Li\n0.956043 0.012192 0.994611 Li\n0.068003 0.748629 0.736330 V\n0.931996 0.248629 0.263671 V\n0.038698 0.750455 0.326872 P\n0.961302 0.250455 0.673128 P\n0.529295 0.740006 0.852186 C\n0.470705 0.240006 0.147815 C\n0.918753 0.565830 0.228697 O\n0.931755 0.934049 0.223996 O\n0.533394 0.240999 0.301513 O\n0.338143 0.739029 0.339770 O\n0.918314 0.763267 0.495738 O\n0.081685 0.263267 0.504262 O\n0.342609 0.729039 0.955559 O\n0.466606 0.740999 0.698487 O\n0.068245 0.434049 0.776004 O\n0.081246 0.065830 0.771303 O\n0.767631 0.753864 0.906000 O\n0.232368 0.253864 0.094001 O\n0.661857 0.239029 0.660231 O\n0.657390 0.229039 0.044441 O\n",
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{
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"created_at": "2022-09-04T14:38:33.192601Z",
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},
{
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"created_at": "2022-09-04T14:38:35.402125Z",
"updated_at": "2022-09-04T14:38:35.402157Z",
"structure_string": "Rb2 V4 Cr2 O14\n1.0\n0.000000 6.908747 -0.012272\n4.872850 0.000000 0.000000\n0.000000 -1.657182 -8.251816\nRb V Cr O\n2 4 2 14\ndirect\n0.250000 0.392183 0.500000 Rb\n0.750000 0.607818 0.500000 Rb\n0.376128 0.003063 0.170147 V\n0.623873 0.996937 0.829854 V\n0.876128 0.996937 0.170147 V\n0.123873 0.003063 0.829854 V\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.120968 0.875821 0.649811 O\n0.879033 0.124179 0.350189 O\n0.612593 0.838994 0.111433 O\n0.379033 0.875821 0.350189 O\n0.518263 0.673281 0.797301 O\n0.981738 0.673281 0.202699 O\n0.887408 0.838994 0.888567 O\n0.112592 0.161006 0.111433 O\n0.620968 0.124179 0.649811 O\n0.750000 0.289735 -0.000000 O\n0.387408 0.161006 0.888567 O\n0.018262 0.326719 0.797302 O\n0.481738 0.326719 0.202699 O\n0.250000 0.710265 -0.000000 O\n",
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},
{
"id": "jvasp-50920",
"created_at": "2022-09-04T14:37:29.130451Z",
"updated_at": "2022-09-04T14:37:29.130478Z",
"structure_string": "Dy4 Nb4 O14\n1.0\n-0.000000 5.179587 5.179587\n5.179587 0.000000 5.179587\n5.179587 5.179587 0.000000\nDy Nb O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.404075 0.845925 0.404075 O\n0.845925 0.404075 0.845925 O\n0.845925 0.845925 0.404075 O\n0.404075 0.404075 0.845925 O\n0.154075 0.595925 0.595925 O\n0.845925 0.404075 0.404075 O\n0.154075 0.154075 0.595925 O\n0.595925 0.595925 0.154075 O\n0.595925 0.154075 0.595925 O\n0.404075 0.845925 0.845925 O\n0.595925 0.154075 0.154075 O\n0.125000 0.125000 0.125000 O\n0.154075 0.595925 0.154075 O\n0.875000 0.875000 0.875000 O\n",
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}