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{
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"results": [
{
"id": "mp-1175243",
"created_at": "2022-09-04T14:42:01.680699Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.968660 0.000000 0.000000\n0.121008 5.084836 0.000000\n0.852794 0.509448 14.434635\nLi Mn Co O\n7 4 1 12\ndirect\n0.001287 0.338665 0.167461 Li\n0.500911 0.167726 0.333646 Li\n0.998264 0.995170 0.499672 Li\n0.502638 0.839145 0.671809 Li\n0.000050 0.666023 0.832951 Li\n0.496738 0.494287 0.994668 Li\n0.500552 0.167271 0.832450 Li\n0.995744 0.009671 0.993219 Mn\n0.003898 0.325861 0.671247 Mn\n0.491811 0.830132 0.165202 Mn\n0.000901 0.664927 0.335939 Mn\n0.512129 0.501745 0.502673 Co\n0.475939 0.138680 0.075974 O\n0.029946 0.982180 0.251468 O\n0.531766 0.815536 0.420098 O\n0.038431 0.640982 0.581010 O\n0.482394 0.479411 0.738587 O\n0.007244 0.314236 0.923581 O\n0.464509 0.511604 0.249612 O\n0.971258 0.351597 0.419392 O\n0.523580 0.200228 0.589159 O\n0.992514 0.019628 0.740592 O\n0.517575 0.855844 0.926400 O\n0.959918 0.689451 0.083192 O\n",
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{
"id": "mp-753343",
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"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000437 4.855271 0.000193\n2.428079 2.428009 3.861672\n14.565027 0.000994 -7.721811\nLi V Si O\n4 4 4 16\ndirect\n0.874986 0.249995 0.624957 Li\n0.625023 0.749973 0.874996 Li\n0.375090 0.249944 0.125096 Li\n0.125069 0.749978 0.375002 Li\n0.250022 0.500061 0.750010 V\n0.000117 0.999909 0.999966 V\n0.749992 0.499999 0.249941 V\n0.499957 0.999985 0.500067 V\n0.562437 0.874994 0.687481 Si\n0.312465 0.375043 0.937491 Si\n0.062474 0.875052 0.187626 Si\n0.812575 0.374931 0.437391 Si\n0.651388 0.282172 0.514118 O\n0.401517 0.782103 0.764249 O\n0.151472 0.282238 0.014257 O\n0.901245 0.782418 0.264359 O\n0.338019 0.955940 0.604852 O\n0.088064 0.456095 0.854845 O\n0.838328 0.956323 0.104926 O\n0.588167 0.455954 0.354775 O\n0.908249 0.598523 0.672218 O\n0.658198 0.098299 0.922328 O\n0.408093 0.598176 0.172454 O\n0.158456 0.098359 0.422301 O\n0.601898 0.163524 0.708513 O\n0.352101 0.663479 0.958522 O\n0.102515 0.163127 0.208816 O\n0.852082 0.663406 0.458440 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.7357450631491687,
"density_atomic": 0.07690116467787922,
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"formula_full": "Li4 V4 Si4 O16",
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"spacegroup": 82
},
{
"id": "mp-1202720",
"created_at": "2022-09-04T14:42:01.691528Z",
"structure_string": "Cs16 Te8 S24\n1.0\n13.043062 0.000000 0.000000\n0.000000 10.284824 0.000000\n0.000000 9.994769 14.541154\nCs Te S\n16 8 24\ndirect\n0.912385 0.696946 0.876692 Cs\n0.587615 0.696946 0.376692 Cs\n0.087615 0.303054 0.123308 Cs\n0.412385 0.303054 0.623308 Cs\n0.727570 0.877625 0.084022 Cs\n0.772430 0.877625 0.584022 Cs\n0.272430 0.122375 0.915978 Cs\n0.227570 0.122375 0.415978 Cs\n0.850939 0.380691 0.598807 Cs\n0.649061 0.380691 0.098807 Cs\n0.149061 0.619309 0.401193 Cs\n0.350939 0.619309 0.901193 Cs\n0.633865 0.331630 0.848555 Cs\n0.866135 0.331630 0.348555 Cs\n0.366135 0.668370 0.151445 Cs\n0.133865 0.668370 0.651445 Cs\n0.964246 0.294636 0.885269 Te\n0.535754 0.294636 0.385269 Te\n0.035754 0.705364 0.114731 Te\n0.464246 0.705364 0.614731 Te\n0.609653 0.949491 0.804477 Te\n0.890347 0.949491 0.304477 Te\n0.390347 0.050509 0.195523 Te\n0.109653 0.050509 0.695523 Te\n0.881985 0.502791 0.750967 S\n0.618015 0.502791 0.250967 S\n0.118015 0.497209 0.249033 S\n0.381985 0.497209 0.749033 S\n0.888876 0.578377 0.106186 S\n0.611124 0.578377 0.606186 S\n0.111124 0.421623 0.893814 S\n0.388876 0.421623 0.393814 S\n0.642017 0.250834 0.506616 S\n0.857983 0.250834 0.006616 S\n0.357983 0.749166 0.493384 S\n0.142017 0.749166 0.993384 S\n0.640196 0.697980 0.833643 S\n0.859804 0.697980 0.333643 S\n0.359804 0.302020 0.166357 S\n0.140196 0.302020 0.666357 S\n0.510000 0.900419 0.930396 S\n0.990000 0.900419 0.430396 S\n0.490000 0.099581 0.069604 S\n0.010000 0.099581 0.569604 S\n0.768409 0.036818 0.824870 S\n0.731591 0.036818 0.324870 S\n0.231591 0.963182 0.175130 S\n0.268409 0.963182 0.675130 S\n",
"nsites": 48,
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"elements": [
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"Te",
"S"
],
"chemical_system": "Cs-S-Te",
"density": 3.334344232256493,
"density_atomic": 0.024607411994056815,
"volume": 1950.6317857234628,
"volume_molar": 24.47287330116011,
"formula_full": "Cs16 Te8 S24",
"formula_reduced": "Cs2TeS3",
"formula_anonymous": "AB2C3",
"energy": -186.44830755,
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"updated_at": "2021-11-28T01:35:33.829000Z",
"spacegroup": 14
},
{
"id": "mp-1245046",
"created_at": "2022-09-04T14:42:01.699372Z",
"structure_string": "Ga50 N50\n1.0\n11.806677 0.150982 0.163350\n0.140906 11.855036 0.383672\n0.154919 0.377080 11.333906\nGa N\n50 50\ndirect\n0.041534 0.939263 0.481230 Ga\n0.056324 0.837061 0.220810 Ga\n0.825067 0.847305 0.927531 Ga\n0.197640 0.909128 0.810701 Ga\n0.161938 0.094948 0.119524 Ga\n0.233552 0.520232 0.768753 Ga\n0.609301 0.773961 0.755092 Ga\n0.934969 0.080096 0.220971 Ga\n0.352993 0.163621 0.573464 Ga\n0.453314 0.094059 0.121688 Ga\n0.414573 0.893158 0.679498 Ga\n0.327621 0.074099 0.870432 Ga\n0.530192 0.338721 0.118665 Ga\n0.796407 0.340909 0.297092 Ga\n0.121392 0.209273 0.381156 Ga\n0.687058 0.054572 0.898212 Ga\n0.215208 0.007952 0.583229 Ga\n0.503320 0.510289 0.824087 Ga\n0.146839 0.754684 0.664518 Ga\n0.901912 0.190784 0.438058 Ga\n0.784632 0.927164 0.447919 Ga\n0.488413 0.399304 0.554908 Ga\n0.897980 0.539603 0.435781 Ga\n0.865973 0.143172 0.984496 Ga\n0.325768 0.307188 0.340563 Ga\n0.368676 0.752841 0.883885 Ga\n0.933339 0.590718 0.170352 Ga\n0.090462 0.374917 0.195573 Ga\n0.538084 0.886959 0.309547 Ga\n0.676250 0.150753 0.117616 Ga\n0.888541 0.350188 0.839489 Ga\n0.764820 0.225441 0.635181 Ga\n0.504166 0.085264 0.720363 Ga\n0.003693 0.711808 0.436522 Ga\n0.333903 0.883279 0.085860 Ga\n0.014892 0.511674 0.714969 Ga\n0.753840 0.531811 0.701761 Ga\n0.873012 0.766895 0.690346 Ga\n0.895158 0.628720 0.939968 Ga\n0.772700 0.797708 0.213690 Ga\n0.677301 0.428959 0.463618 Ga\n0.731387 0.403490 0.015675 Ga\n0.007557 0.953080 0.963039 Ga\n0.330853 0.315784 0.756804 Ga\n0.584648 0.892179 0.014399 Ga\n0.394367 0.675907 0.623996 Ga\n0.277541 0.841919 0.436723 Ga\n0.634023 0.693501 0.499130 Ga\n0.611364 0.306233 0.810293 Ga\n0.651459 0.658629 0.966497 Ga\n0.601632 0.168174 0.456913 N\n0.316234 0.348647 0.961987 N\n0.396923 0.049551 0.379876 N\n0.993289 0.799019 0.581033 N\n0.120435 0.818574 0.373309 N\n0.890421 0.610836 0.759500 N\n0.484123 0.380511 0.726975 N\n0.633160 0.605601 0.790616 N\n0.753669 0.021286 0.201124 N\n0.281010 0.557916 0.116174 N\n0.575393 0.388636 0.954175 N\n0.529480 0.771762 0.919603 N\n0.173243 0.519901 0.417586 N\n0.754467 0.557219 0.525741 N\n0.043408 0.286680 0.637271 N\n0.960787 0.025285 0.712413 N\n0.072117 0.188828 0.216412 N\n0.639216 0.561748 0.278130 N\n0.374682 0.307687 0.500650 N\n0.716474 0.795026 0.056061 N\n0.110407 0.729883 0.083448 N\n0.098062 0.751490 0.983938 N\n0.272183 0.315174 0.046334 N\n0.045819 0.975699 0.129554 N\n0.377055 0.672434 0.306103 N\n0.367157 0.607985 0.803027 N\n0.756380 0.363377 0.734467 N\n0.484435 0.927445 0.147353 N\n0.404605 0.588291 0.347327 N\n0.139778 0.522356 0.933905 N\n0.590328 0.553266 0.195383 N\n0.918676 0.024516 0.400313 N\n0.713447 0.945199 0.281326 N\n0.216270 0.516061 0.504597 N\n0.306818 0.061586 0.047009 N\n0.922636 0.740774 0.253912 N\n0.357533 0.593505 0.069310 N\n0.063021 0.480032 0.982257 N\n0.095908 0.179392 0.950305 N\n0.904099 0.466640 0.287380 N\n0.699381 0.310823 0.160311 N\n0.605504 0.154912 0.360162 N\n0.371575 0.110617 0.299533 N\n0.135890 0.261504 0.638615 N\n0.907915 0.103074 0.732057 N\n0.645121 0.154071 0.757640 N\n0.756660 0.842008 0.772728 N\n0.105997 0.248957 0.877326 N\n0.407762 0.357151 0.212163 N\n0.768028 0.555309 0.024300 N\n",
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"volume": 1584.1591361481435,
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"formula_full": "Ga50 N50",
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{
"id": "mp-644278",
"created_at": "2022-09-04T14:42:01.705478Z",
"structure_string": "Y2 H2 C1\n1.0\n1.835951 -3.179960 0.000000\n1.835951 3.179960 0.000000\n0.000000 0.000000 6.023862\nY H C\n2 2 1\ndirect\n0.666667 0.333333 0.774672 Y\n0.333333 0.666667 0.225328 Y\n0.666667 0.333333 0.391480 H\n0.333333 0.666667 0.608520 H\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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{
"id": "mp-865879",
"created_at": "2022-09-04T14:42:01.734871Z",
"structure_string": "Li2 Ag1 Au1\n1.0\n0.000000 3.154724 3.154724\n3.154724 0.000000 3.154724\n3.154724 3.154724 0.000000\nLi Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "mp-1190087",
"created_at": "2022-09-04T14:42:01.807667Z",
"structure_string": "Cs4 Li4 I8\n1.0\n2.443045 -10.263915 0.000000\n2.443045 10.263915 0.000000\n0.000000 0.000000 13.573601\nCs Li I\n4 4 8\ndirect\n0.342904 0.657096 0.984158 Cs\n0.657096 0.342904 0.484158 Cs\n0.510529 0.489471 0.763029 Cs\n0.489471 0.510529 0.263029 Cs\n0.868010 0.131990 0.547324 Li\n0.131990 0.868010 0.047324 Li\n0.280932 0.719068 0.284289 Li\n0.719068 0.280932 0.784289 Li\n0.311220 0.688780 0.482861 I\n0.688780 0.311220 0.982861 I\n0.146560 0.853440 0.255023 I\n0.853440 0.146560 0.755023 I\n0.999885 0.000115 0.505131 I\n0.000115 0.999885 0.005131 I\n0.837411 0.162589 0.219876 I\n0.162589 0.837411 0.719876 I\n",
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"volume": 680.7216884778944,
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"formula_full": "Cs4 Li4 I8",
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{
"id": "mp-29526",
"created_at": "2022-09-04T14:42:01.620749Z",
"structure_string": "Br4 N4 O12\n1.0\n4.315049 0.000000 0.000000\n0.000000 7.288948 0.000000\n0.000000 0.000000 11.580252\nBr N O\n4 4 12\ndirect\n0.248865 0.984752 0.781269 Br\n0.748865 0.515248 0.218731 Br\n0.751135 0.484752 0.718731 Br\n0.251135 0.015248 0.281269 Br\n0.185921 0.988250 0.535912 N\n0.685921 0.511750 0.464088 N\n0.814079 0.488250 0.964088 N\n0.314079 0.011750 0.035912 N\n0.105850 0.900574 0.040018 O\n0.605850 0.599426 0.959982 O\n0.894150 0.400574 0.459982 O\n0.394150 0.099426 0.540018 O\n0.438594 0.091564 0.128947 O\n0.938594 0.408436 0.871053 O\n0.561406 0.591564 0.371053 O\n0.061406 0.908436 0.628947 O\n0.448235 0.071389 0.943657 O\n0.948235 0.428611 0.056343 O\n0.551765 0.571389 0.556343 O\n0.051765 0.928611 0.443657 O\n",
"nsites": 20,
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"formula_full": "Br4 N4 O12",
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},
{
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}