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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4461",
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"results": [
{
"id": "jvasp-44556",
"created_at": "2022-09-04T14:38:15.159908Z",
"updated_at": "2022-09-04T14:38:15.159936Z",
"structure_string": "K2 Ti2 P2 C2 O14\n1.0\n0.000000 5.216988 -0.438990\n6.358962 0.000000 0.000000\n0.000000 0.595946 -9.287602\nK Ti P C O\n2 2 2 2 14\ndirect\n0.907024 0.639664 0.153676 K\n0.092977 0.139664 0.846324 K\n0.264268 0.231270 0.338056 Ti\n0.735733 0.731270 0.661944 Ti\n0.296107 0.734411 0.439144 P\n0.703894 0.234411 0.560856 P\n0.473903 0.239125 0.084428 C\n0.526098 0.739125 0.915572 C\n0.399093 0.746625 0.803245 O\n0.735077 0.427834 0.656272 O\n0.738651 0.041246 0.654633 O\n0.088844 0.738302 0.575097 O\n0.434762 0.233213 0.511820 O\n0.565239 0.733213 0.488179 O\n0.600908 0.246625 0.196755 O\n0.261350 0.541245 0.345367 O\n0.264924 0.927834 0.343727 O\n0.783067 0.738142 0.869774 O\n0.216935 0.238142 0.130226 O\n0.429744 0.732313 0.044964 O\n0.911157 0.238303 0.424902 O\n0.570256 0.232313 -0.044964 O\n",
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{
"id": "jvasp-108939",
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"updated_at": "2022-09-04T14:38:19.193769Z",
"structure_string": "Fe2 Co2 Si4\n1.0\n4.453131 0.000000 0.000000\n0.000000 4.458905 0.019469\n0.000000 0.008555 4.461188\nFe Co Si\n2 2 4\ndirect\n0.361082 0.861426 0.386583 Fe\n0.861081 0.138576 0.613417 Fe\n0.636906 0.636476 0.890347 Co\n0.136906 0.363526 0.109654 Co\n0.341807 0.341052 0.587662 Si\n0.841807 0.658950 0.412338 Si\n0.660204 0.157273 0.092887 Si\n0.160204 0.842729 0.907114 Si\n",
"nsites": 8,
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],
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"volume": 88.58100017492254,
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"formula_full": "Fe2 Co2 Si4",
"formula_reduced": "FeCoSi2",
"formula_anonymous": "ABC2",
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"spacegroup": 4
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{
"id": "jvasp-112335",
"created_at": "2022-09-04T14:38:26.338084Z",
"updated_at": "2022-09-04T14:38:26.338100Z",
"structure_string": "Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n",
"nsites": 14,
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"elements": [
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"H"
],
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"density": 2.0786876137761268,
"density_atomic": 0.07630312761406059,
"volume": 183.47871755416983,
"volume_molar": 7.892390454110668,
"formula_full": "Ca2 Ga2 H10",
"formula_reduced": "CaGaH5",
"formula_anonymous": "ABC5",
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"spacegroup": 4
},
{
"id": "jvasp-112272",
"created_at": "2022-09-04T14:38:26.231063Z",
"updated_at": "2022-09-04T14:38:26.231091Z",
"structure_string": "Tl2 Sb2 P4 Se12\n1.0\n7.807242 -0.000000 0.000000\n0.000000 6.957693 0.102866\n-0.000000 -0.036020 10.093638\nTl Sb P Se\n2 2 4 12\ndirect\n0.777840 0.190383 0.000778 Tl\n0.277840 0.809616 -0.000778 Tl\n0.512772 0.309113 0.516895 Sb\n0.012772 0.690887 0.483106 Sb\n0.288343 0.302333 0.808417 P\n0.788343 0.697666 0.191583 P\n0.069773 0.194800 0.678482 P\n0.569773 0.805200 0.321518 P\n0.876702 0.432216 0.305605 Se\n0.376702 0.567783 0.694396 Se\n0.195737 0.340202 0.008055 Se\n0.695737 0.659798 0.991946 Se\n0.990610 0.916126 0.227516 Se\n0.972059 0.923747 0.765110 Se\n0.695187 0.851580 0.523556 Se\n0.195187 0.148420 0.476444 Se\n0.872304 0.429732 0.678514 Se\n0.472060 0.076253 0.234890 Se\n0.490610 0.083873 0.772485 Se\n0.372304 0.570268 0.321486 Se\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.220085941889919,
"density_atomic": 0.03647509691563736,
"volume": 548.3193107411795,
"volume_molar": 16.510280353547813,
"formula_full": "Tl2 Sb2 P4 Se12",
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"spacegroup": 4
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{
"id": "jvasp-117738",
"created_at": "2022-09-04T14:38:26.631419Z",
"updated_at": "2022-09-04T14:38:26.631430Z",
"structure_string": "Bi2 N2\n1.0\n5.165400 -0.383121 -0.244131\n4.788061 -5.680987 0.197989\n2.241906 -0.392902 -2.798474\nBi N\n2 2\ndirect\n0.186873 0.924310 -0.032140 Bi\n0.224448 0.424026 0.915050 Bi\n0.661825 0.342783 0.080309 N\n0.912479 0.842572 0.802665 N\n",
"nsites": 4,
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"elements": [
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"density": 9.931279269957342,
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"spacegroup": 4
},
{
"id": "jvasp-112274",
"created_at": "2022-09-04T14:38:26.610251Z",
"updated_at": "2022-09-04T14:38:26.610291Z",
"structure_string": "Dy2 Tl2 P4 Se12\n1.0\n7.556986 -0.000000 0.000000\n0.000000 6.816631 0.112762\n-0.000000 -0.018790 10.252066\nDy Tl P Se\n2 2 4 12\ndirect\n0.499930 0.285919 0.501481 Dy\n-0.000070 0.714081 0.498519 Dy\n0.220203 0.818119 0.990177 Tl\n0.720203 0.181881 0.009824 Tl\n0.006996 0.187773 0.677330 P\n0.506996 0.812227 0.322670 P\n0.228911 0.313844 0.799236 P\n0.728912 0.686156 0.200765 P\n0.304602 0.570474 0.328373 Se\n0.804602 0.429526 0.671627 Se\n0.633811 0.647980 0.003413 Se\n0.133811 0.352019 0.996587 Se\n0.635242 0.872751 0.517859 Se\n0.909213 0.906397 0.759272 Se\n0.942440 0.900975 0.231441 Se\n0.442440 0.099025 0.768560 Se\n0.311676 0.575307 0.672665 Se\n0.409212 0.093603 0.240728 Se\n0.135241 0.127249 0.482141 Se\n0.811676 0.424693 0.327335 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Se"
],
"chemical_system": "Dy-P-Se-Tl",
"density": 5.6757994799168054,
"density_atomic": 0.037869278632734954,
"volume": 528.1325845671537,
"volume_molar": 15.902443821030017,
"formula_full": "Dy2 Tl2 P4 Se12",
"formula_reduced": "DyTl(PSe3)2",
"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-12168",
"created_at": "2022-09-04T14:38:26.899383Z",
"updated_at": "2022-09-04T14:38:26.899406Z",
"structure_string": "Hg2 Cl4 O12\n1.0\n5.826647 0.000000 0.061830\n0.000000 5.105594 0.000000\n-1.933799 0.000000 9.471929\nHg Cl O\n2 4 12\ndirect\n0.986435 0.685792 0.184368 Hg\n0.013566 0.185792 0.815632 Hg\n0.291938 0.218520 0.574662 Cl\n0.637757 0.741312 0.849726 Cl\n0.362243 0.241312 0.150274 Cl\n0.708062 0.718520 0.425338 Cl\n0.821130 0.962858 0.936001 O\n0.760744 0.636004 0.742612 O\n0.462178 0.642473 0.381427 O\n0.366402 0.050077 0.037725 O\n0.633599 0.550078 0.962275 O\n0.178870 0.462859 0.063999 O\n0.239256 0.136004 0.257388 O\n0.768732 0.894979 0.294252 O\n0.231268 0.394979 0.705748 O\n0.137880 0.989357 0.573843 O\n0.537822 0.142473 0.618574 O\n0.862120 0.489357 0.426157 O\n",
"nsites": 18,
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"elements": [
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"Cl",
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],
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"density": 4.321994074071918,
"density_atomic": 0.06374251826227535,
"volume": 282.3860821741791,
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"formula_full": "Hg2 Cl4 O12",
"formula_reduced": "Hg(ClO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 4
},
{
"id": "jvasp-117420",
"created_at": "2022-09-04T14:38:27.373078Z",
"updated_at": "2022-09-04T14:38:27.373103Z",
"structure_string": "Fe6 O10 F2\n1.0\n4.341684 -0.000000 0.000000\n0.000000 5.159528 0.345929\n-0.000000 -0.097958 7.178895\nFe O F\n6 10 2\ndirect\n0.474688 0.569119 0.162388 Fe\n0.512255 0.907902 0.835854 Fe\n0.515439 0.246815 0.488846 Fe\n0.012255 0.092098 0.164145 Fe\n0.015439 0.753185 0.511154 Fe\n0.974687 0.430881 0.837611 Fe\n0.804652 0.120814 0.932348 O\n0.809413 0.451855 0.601535 O\n0.684712 0.619139 0.938133 O\n0.698371 0.948281 0.600002 O\n0.693854 0.282632 0.262175 O\n0.193854 0.717368 0.737824 O\n0.304652 0.879186 0.067652 O\n0.184712 0.380861 0.061867 O\n0.198372 0.051719 0.399997 O\n0.309413 0.548145 0.398465 O\n0.306613 0.220803 0.733036 F\n0.806613 0.779197 0.266963 F\n",
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"density": 5.499243144700079,
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"formula_full": "Fe6 O10 F2",
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{
"id": "jvasp-108944",
"created_at": "2022-09-04T14:38:27.402894Z",
"updated_at": "2022-09-04T14:38:27.402922Z",
"structure_string": "Cr2 Fe2 Ge4\n1.0\n4.688173 -0.000000 0.000000\n0.000000 4.731466 0.000368\n-0.000000 -0.006772 4.727188\nCr Fe Ge\n2 2 4\ndirect\n0.635058 0.627119 0.892441 Cr\n0.135058 0.372882 0.107560 Cr\n0.365710 0.862293 0.381611 Fe\n0.865710 0.137708 0.618390 Fe\n0.342018 0.337866 0.587087 Ge\n0.842018 0.662135 0.412914 Ge\n0.657213 0.152262 0.096517 Ge\n0.157213 0.847739 0.903484 Ge\n",
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"volume": 104.85817044013199,
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"formula_full": "Cr2 Fe2 Ge4",
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{
"id": "jvasp-110228",
"created_at": "2022-09-04T14:38:28.371306Z",
"updated_at": "2022-09-04T14:38:28.371323Z",
"structure_string": "K2 S2 O4 F2\n1.0\n5.600061 0.000000 0.000000\n-0.000000 4.444387 1.320911\n-0.000000 0.029396 6.764850\nK S O F\n2 2 4 2\ndirect\n0.245453 0.347867 0.294461 K\n0.745453 0.652134 0.705539 K\n0.725628 0.955259 0.157173 S\n0.225628 0.044743 0.842827 S\n0.034419 0.165173 0.691171 O\n0.534419 0.834829 0.308829 O\n0.756624 0.283387 0.119419 O\n0.256624 0.716614 0.880581 O\n0.987876 0.823899 0.327868 F\n0.487876 0.176103 0.672132 F\n",
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"volume": 168.15181025798213,
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"formula_full": "K2 S2 O4 F2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 4
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{
"id": "jvasp-109382",
"created_at": "2022-09-04T14:38:28.350749Z",
"updated_at": "2022-09-04T14:38:28.350776Z",
"structure_string": "Mn2 Co2 Si4\n1.0\n4.443315 0.000000 0.000000\n0.000000 4.501048 0.044523\n0.000000 -0.003051 4.506128\nMn Co Si\n2 2 4\ndirect\n0.636220 0.891366 0.871073 Mn\n0.136220 0.108634 0.128927 Mn\n0.365127 0.389335 0.635261 Co\n0.865126 0.610665 0.364739 Co\n0.658469 0.086926 0.350182 Si\n0.158470 0.913075 0.649818 Si\n0.340182 0.587149 0.157238 Si\n0.840181 0.412852 0.842762 Si\n",
"nsites": 8,
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],
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"volume": 90.12124439204541,
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"formula_full": "Mn2 Co2 Si4",
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"formula_anonymous": "ABC2",
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"spacegroup": 4
},
{
"id": "jvasp-57860",
"created_at": "2022-09-04T14:38:28.467570Z",
"updated_at": "2022-09-04T14:38:28.467594Z",
"structure_string": "Al2 P2 O8\n1.0\n0.000000 4.938855 0.028914\n8.232127 0.000000 0.000000\n0.000000 -2.418293 -4.490199\nAl P O\n2 2 8\ndirect\n0.556162 0.067933 0.329511 Al\n0.443838 0.567933 0.670490 Al\n0.770534 0.441444 0.322646 P\n0.229467 0.941444 0.677355 P\n0.589465 0.558225 0.417400 O\n0.410535 0.058225 0.582601 O\n0.115195 0.444734 0.551468 O\n0.884805 0.944735 0.448534 O\n0.649235 0.268642 0.301992 O\n0.350765 0.768643 0.698009 O\n0.270398 0.995724 -0.017363 O\n0.729602 0.495723 0.017364 O\n",
"nsites": 12,
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],
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"density": 2.225557394360533,
"density_atomic": 0.06593998094505162,
"volume": 181.98367406262537,
"volume_molar": 9.132760843559092,
"formula_full": "Al2 P2 O8",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 4
}
]
}