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{
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{
"id": "mp-1094950",
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"structure_string": "Mg1 Ga3\n1.0\n3.270746 0.000000 0.000000\n0.000000 4.586037 0.000000\n0.000000 0.000000 5.147397\nMg Ga\n1 3\ndirect\n0.000000 0.500000 0.336778 Mg\n0.000000 0.000000 0.987874 Ga\n0.500000 0.000000 0.506615 Ga\n0.500000 0.500000 0.835399 Ga\n",
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{
"id": "mp-1190127",
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"structure_string": "Cd2 Hg2 Se2 O12\n1.0\n0.163746 0.000000 6.173662\n-5.116468 4.606222 0.830154\n-5.116468 -4.606222 0.830154\nCd Hg Se O\n2 2 2 12\ndirect\n0.500000 0.697862 0.302138 Cd\n0.500000 0.302138 0.697862 Cd\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.488254 0.199707 0.199707 Se\n0.511746 0.800293 0.800293 Se\n0.870028 0.576899 0.267291 O\n0.870028 0.267291 0.576899 O\n0.129972 0.423101 0.732709 O\n0.129972 0.732709 0.423101 O\n0.240592 0.155774 0.155774 O\n0.759408 0.844226 0.844226 O\n0.471780 0.364282 0.364282 O\n0.528220 0.635718 0.635718 O\n0.628801 0.295591 0.996070 O\n0.628801 0.996070 0.295591 O\n0.371199 0.704409 0.003930 O\n0.371199 0.003930 0.704409 O\n",
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"elements": [
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"Hg",
"Se",
"O"
],
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"volume": 292.2489263340299,
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"formula_full": "Cd2 Hg2 Se2 O12",
"formula_reduced": "CdHgSeO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 12
},
{
"id": "mp-978985",
"created_at": "2022-09-04T14:40:31.310175Z",
"structure_string": "Sn2 Br4\n1.0\n7.094332 0.000000 0.000000\n0.000000 7.094332 0.000000\n0.000000 0.000000 4.491516\nSn Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.299179 0.299179 0.000000 Br\n0.700821 0.700821 0.000000 Br\n0.200821 0.799179 0.500000 Br\n0.799179 0.200821 0.500000 Br\n",
"nsites": 6,
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"elements": [
"Sn",
"Br"
],
"chemical_system": "Br-Sn",
"density": 4.091818792128051,
"density_atomic": 0.02654210005004045,
"volume": 226.05596349527949,
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"formula_full": "Sn2 Br4",
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"updated_at": "2021-11-28T01:34:58.543000Z",
"spacegroup": 136
},
{
"id": "mp-865238",
"created_at": "2022-09-04T14:40:55.153271Z",
"structure_string": "Lu2 Mg1 Al1\n1.0\n0.000000 3.604614 3.604614\n3.604614 0.000000 3.604614\n3.604614 3.604614 0.000000\nLu Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-Lu-Mg",
"density": 7.112560326836394,
"density_atomic": 0.04270253922340204,
"volume": 93.67124467876847,
"volume_molar": 14.10253551549862,
"formula_full": "Lu2 Mg1 Al1",
"formula_reduced": "Lu2MgAl",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:58.543000Z",
"spacegroup": 225
},
{
"id": "mp-1157",
"created_at": "2022-09-04T14:40:28.420258Z",
"structure_string": "Ta1 Ni2\n1.0\n-1.584913 1.584913 3.946127\n1.584913 -1.584913 3.946127\n1.584913 1.584913 -3.946127\nTa Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333707 0.333707 0.000000 Ni\n0.666293 0.666293 0.000000 Ni\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ni-Ta",
"density": 12.49427134639884,
"density_atomic": 0.07566226705623091,
"volume": 39.64988252031162,
"volume_molar": 7.9592391218260055,
"formula_full": "Ta1 Ni2",
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"formula_anonymous": "AB2",
"energy": -24.42062846,
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"updated_at": "2021-11-28T01:34:58.542000Z",
"spacegroup": 139
},
{
"id": "mp-605018",
"created_at": "2022-09-04T14:41:04.621816Z",
"structure_string": "Na4 Ag4 H64 C16 S16 N8 O40\n1.0\n11.252262 0.000000 0.000000\n0.000000 11.323609 0.000000\n0.000000 0.000000 14.221472\nNa Ag H C S N O\n4 4 64 16 16 8 40\ndirect\n0.276149 0.750000 0.000000 Na\n0.723851 0.250000 0.000000 Na\n0.776149 0.250000 0.500000 Na\n0.223851 0.750000 0.500000 Na\n0.750000 0.235396 0.750000 Ag\n0.750000 0.264604 0.250000 Ag\n0.250000 0.735396 0.750000 Ag\n0.250000 0.764604 0.250000 Ag\n0.792999 0.445634 0.636937 H\n0.949442 0.876954 0.701817 H\n0.342253 0.908489 0.623910 H\n0.792999 0.054366 0.363063 H\n0.925914 0.740621 0.112454 H\n0.425914 0.259379 0.612454 H\n0.663017 0.647123 0.669332 H\n0.707001 0.445634 0.863063 H\n0.663017 0.852877 0.330668 H\n0.036052 0.396037 0.576108 H\n0.292999 0.554366 0.136937 H\n0.371085 0.134538 0.545593 H\n0.550558 0.876954 0.798183 H\n0.207001 0.945634 0.636937 H\n0.207001 0.554366 0.363063 H\n0.827429 0.937116 0.634211 H\n0.842253 0.091511 0.123910 H\n0.836983 0.647123 0.830668 H\n0.672571 0.562884 0.134211 H\n0.157747 0.908489 0.876090 H\n0.925914 0.759379 0.887546 H\n0.657747 0.091511 0.376090 H\n0.707001 0.054366 0.136937 H\n0.425914 0.240621 0.387546 H\n0.463948 0.396037 0.923892 H\n0.163017 0.147123 0.830668 H\n0.463948 0.103963 0.076108 H\n0.128915 0.134538 0.954407 H\n0.371085 0.365462 0.454407 H\n0.157747 0.591511 0.123910 H\n0.842253 0.408489 0.876090 H\n0.172571 0.062884 0.365789 H\n0.163017 0.352877 0.169332 H\n0.836983 0.852877 0.169332 H\n0.963948 0.603963 0.423892 H\n0.536052 0.603963 0.076108 H\n0.336983 0.352877 0.330668 H\n0.342253 0.591511 0.376090 H\n0.449442 0.376954 0.798183 H\n0.292999 0.945634 0.863063 H\n0.550558 0.623046 0.201817 H\n0.050558 0.376954 0.701817 H\n0.963948 0.896037 0.576108 H\n0.574086 0.759379 0.612454 H\n0.036052 0.103963 0.423892 H\n0.871085 0.634538 0.954407 H\n0.327429 0.062884 0.134211 H\n0.050558 0.123046 0.298183 H\n0.536052 0.896037 0.923892 H\n0.074086 0.240621 0.112454 H\n0.449442 0.123046 0.201817 H\n0.827429 0.562884 0.365789 H\n0.574086 0.740621 0.387546 H\n0.128915 0.365462 0.045593 H\n0.336983 0.147123 0.669332 H\n0.327429 0.437116 0.865789 H\n0.628915 0.634538 0.545593 H\n0.949442 0.623046 0.298183 H\n0.074086 0.259379 0.887546 H\n0.672571 0.937116 0.865789 H\n0.657747 0.408489 0.623910 H\n0.871085 0.865462 0.045593 H\n0.628915 0.865462 0.454407 H\n0.172571 0.437116 0.634211 H\n0.097218 0.165286 0.885628 C\n0.924315 0.930857 0.641000 C\n0.575685 0.930857 0.859000 C\n0.424315 0.430857 0.859000 C\n0.902782 0.665286 0.885628 C\n0.902782 0.834714 0.114372 C\n0.597218 0.665286 0.614372 C\n0.597218 0.834714 0.385628 C\n0.402782 0.165286 0.614372 C\n0.575685 0.569143 0.141000 C\n0.924315 0.569143 0.359000 C\n0.075685 0.430857 0.641000 C\n0.424315 0.069143 0.141000 C\n0.097218 0.334714 0.114372 C\n0.075685 0.069143 0.359000 C\n0.402782 0.334714 0.385628 C\n0.466020 0.583904 0.641432 S\n0.980832 0.423627 0.341014 S\n0.533980 0.416096 0.358568 S\n0.966020 0.083904 0.858568 S\n0.533980 0.083904 0.641432 S\n0.033980 0.583904 0.858568 S\n0.966020 0.416096 0.141432 S\n0.519168 0.423627 0.158986 S\n0.519168 0.076373 0.841014 S\n0.480832 0.923627 0.158986 S\n0.466020 0.916096 0.358568 S\n0.480832 0.576373 0.841014 S\n0.019168 0.576373 0.658986 S\n0.980832 0.076373 0.658986 S\n0.019168 0.923627 0.341014 S\n0.033980 0.916096 0.141432 S\n0.077420 0.626931 0.755108 N\n0.922580 0.373069 0.244892 N\n0.577420 0.126931 0.744892 N\n0.422580 0.873069 0.255108 N\n0.577420 0.373069 0.255108 N\n0.422580 0.626931 0.744892 N\n0.922580 0.126931 0.755108 N\n0.077420 0.873069 0.244892 N\n0.260103 0.878280 0.623445 O\n0.063955 0.849545 0.417128 O\n0.239897 0.621720 0.123445 O\n0.436045 0.849545 0.082872 O\n0.260103 0.621720 0.376555 O\n0.889480 0.568036 0.666066 O\n0.760103 0.378280 0.876555 O\n0.626663 0.120343 0.576280 O\n0.873337 0.379657 0.076280 O\n0.502559 0.541984 0.360588 O\n0.110520 0.431964 0.333934 O\n0.497441 0.041984 0.360588 O\n0.373337 0.879657 0.423720 O\n0.563955 0.150455 0.917128 O\n0.110520 0.068036 0.666066 O\n0.610520 0.931964 0.166066 O\n0.936045 0.150455 0.582872 O\n0.889480 0.931964 0.333934 O\n0.126663 0.879657 0.076280 O\n0.873337 0.120343 0.923720 O\n0.739897 0.121720 0.376555 O\n0.502559 0.958016 0.639412 O\n0.436045 0.650455 0.917128 O\n0.002559 0.458016 0.860588 O\n0.997441 0.958016 0.860588 O\n0.760103 0.121720 0.123445 O\n0.389480 0.431964 0.166066 O\n0.239897 0.878280 0.876555 O\n0.497441 0.458016 0.639412 O\n0.373337 0.620343 0.576280 O\n0.063955 0.650455 0.582872 O\n0.389480 0.068036 0.833934 O\n0.936045 0.349545 0.417128 O\n0.997441 0.541984 0.139412 O\n0.739897 0.378280 0.623445 O\n0.626663 0.379657 0.423720 O\n0.610520 0.568036 0.833934 O\n0.563955 0.349545 0.082872 O\n0.002559 0.041984 0.139412 O\n0.126663 0.620343 0.923720 O\n",
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],
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"formula_full": "Na4 Ag4 H64 C16 S16 N8 O40",
"formula_reduced": "NaAgH16C4S4(NO5)2",
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},
{
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"created_at": "2022-09-04T14:40:57.788205Z",
"structure_string": "V3 H4 O8\n1.0\n10.361465 2.426740 -2.133870\n-10.361465 2.426740 2.133870\n0.174526 0.000000 5.520757\nV H O\n3 4 8\ndirect\n0.005438 0.994562 0.514464 V\n0.838513 0.161487 0.620823 V\n0.167155 0.832845 0.374901 V\n0.922255 0.077745 0.117203 H\n0.004401 0.995599 0.983403 H\n0.805313 0.194687 0.069369 H\n0.200408 0.799592 0.914146 H\n0.969168 0.030832 0.170851 O\n0.030947 0.969053 0.832366 O\n0.918578 0.081422 0.556888 O\n0.084057 0.915943 0.418700 O\n0.834120 0.165880 0.944987 O\n0.186720 0.813280 0.079160 O\n0.781376 0.218624 0.375166 O\n0.220958 0.779042 0.633638 O\n",
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{
"id": "mp-510760",
"created_at": "2022-09-04T14:40:54.739601Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.080453 0.000000 0.000000\n0.000000 6.651066 0.000000\n0.000000 0.000000 10.399885\nLi Co Si O\n4 4 4 16\ndirect\n0.759117 0.009673 0.154688 Li\n0.759117 0.490327 0.654688 Li\n0.259117 0.509673 0.345312 Li\n0.259117 0.990327 0.845312 Li\n0.261706 0.013405 0.331703 Co\n0.261706 0.486595 0.831703 Co\n0.761706 0.513405 0.168297 Co\n0.761706 0.986595 0.668297 Co\n0.262542 0.233044 0.593772 Si\n0.262542 0.266956 0.093772 Si\n0.762542 0.733044 0.906228 Si\n0.762542 0.766956 0.406228 Si\n0.122925 0.038614 0.664555 O\n0.149246 0.060231 0.161237 O\n0.210464 0.261626 0.937834 O\n0.581773 0.221441 0.623593 O\n0.581773 0.278559 0.123593 O\n0.210464 0.238374 0.437834 O\n0.149246 0.439769 0.661237 O\n0.122925 0.461386 0.164555 O\n0.622925 0.538614 0.835445 O\n0.649246 0.560231 0.338763 O\n0.710464 0.761626 0.562166 O\n0.081773 0.721441 0.876407 O\n0.081773 0.778559 0.376407 O\n0.710464 0.738374 0.062166 O\n0.649246 0.939769 0.838763 O\n0.622925 0.961386 0.335445 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:40:53.961349Z",
"structure_string": "Zr4 Ge4 Pt4\n1.0\n4.015791 0.000000 0.000000\n0.000000 6.730099 0.000000\n0.000000 0.000000 7.755971\nZr Ge Pt\n4 4 4\ndirect\n0.250000 0.027449 0.317283 Zr\n0.250000 0.527449 0.182717 Zr\n0.750000 0.972551 0.682717 Zr\n0.750000 0.472551 0.817283 Zr\n0.250000 0.254845 0.621424 Ge\n0.250000 0.754845 0.878576 Ge\n0.750000 0.745155 0.378576 Ge\n0.750000 0.245155 0.121424 Ge\n0.250000 0.145212 0.936866 Pt\n0.250000 0.645212 0.563134 Pt\n0.750000 0.854788 0.063134 Pt\n0.750000 0.354788 0.436866 Pt\n",
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},
{
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"created_at": "2022-09-04T14:40:52.868601Z",
"structure_string": "La1 Pr3 Mn4 O12\n1.0\n7.930246 0.000000 0.000000\n0.000000 5.540343 0.000000\n0.000000 0.006877 5.648683\nLa Pr Mn O\n1 3 4 12\ndirect\n0.500000 0.489616 0.539813 La\n0.500000 0.012607 0.044128 Pr\n0.000000 0.512748 0.454600 Pr\n0.000000 0.988072 0.955260 Pr\n0.249398 0.000157 0.500363 Mn\n0.750383 0.499736 0.999521 Mn\n0.750602 0.000157 0.500363 Mn\n0.249617 0.499736 0.999521 Mn\n0.295433 0.214889 0.792551 O\n0.704599 0.282264 0.289263 O\n0.796809 0.782021 0.210248 O\n0.202339 0.716714 0.709910 O\n0.203191 0.782021 0.210248 O\n0.797661 0.716714 0.709910 O\n0.704567 0.214889 0.792551 O\n0.295401 0.282264 0.289263 O\n0.500000 0.586913 0.979004 O\n0.500000 0.917520 0.476888 O\n0.000000 0.413698 0.023153 O\n0.000000 0.087264 0.523442 O\n",
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},
{
"id": "mp-1204432",
"created_at": "2022-09-04T14:40:31.901479Z",
"structure_string": "Cu20 Si16 O56\n1.0\n5.569984 0.000000 0.000000\n0.000000 9.483542 0.000000\n0.000000 0.000000 20.018554\nCu Si O\n20 16 56\ndirect\n0.681955 0.253419 0.235096 Cu\n0.818045 0.753419 0.764904 Cu\n0.181955 0.746581 0.264904 Cu\n0.318045 0.246581 0.735096 Cu\n0.318045 0.746581 0.764904 Cu\n0.181955 0.246581 0.235096 Cu\n0.818045 0.253419 0.735096 Cu\n0.681955 0.753419 0.264904 Cu\n0.028627 0.182093 0.996957 Cu\n0.471373 0.682093 0.003043 Cu\n0.528627 0.817907 0.503043 Cu\n0.971373 0.317907 0.496957 Cu\n0.971373 0.817907 0.003043 Cu\n0.528627 0.317907 0.996957 Cu\n0.471373 0.182093 0.496957 Cu\n0.028627 0.682093 0.503043 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.423673 0.440912 0.137657 Si\n0.076327 0.940912 0.862343 Si\n0.923673 0.559088 0.362343 Si\n0.576327 0.059088 0.637657 Si\n0.576327 0.559088 0.862343 Si\n0.923673 0.059088 0.137657 Si\n0.076327 0.440912 0.637657 Si\n0.423673 0.940912 0.362343 Si\n0.922491 0.591407 0.148307 Si\n0.577509 0.091407 0.851693 Si\n0.422491 0.408593 0.351693 Si\n0.077509 0.908593 0.648307 Si\n0.077509 0.408593 0.851693 Si\n0.422491 0.908593 0.148307 Si\n0.577509 0.591407 0.648307 Si\n0.922491 0.091407 0.351693 Si\n0.431200 0.279870 0.170259 O\n0.068800 0.779870 0.829741 O\n0.931200 0.720130 0.329741 O\n0.568800 0.220130 0.670259 O\n0.568800 0.720130 0.829741 O\n0.931200 0.220130 0.170259 O\n0.068800 0.279870 0.670259 O\n0.431200 0.779870 0.329741 O\n0.403250 0.461089 0.057196 O\n0.096750 0.961089 0.942804 O\n0.903250 0.538911 0.442804 O\n0.596750 0.038911 0.557196 O\n0.596750 0.538911 0.942804 O\n0.903250 0.038911 0.057196 O\n0.096750 0.461089 0.557196 O\n0.403250 0.961089 0.442804 O\n0.171372 0.507452 0.168024 O\n0.328628 0.007452 0.831976 O\n0.671372 0.492548 0.331976 O\n0.828628 0.992548 0.668024 O\n0.828628 0.492548 0.831976 O\n0.671372 0.992548 0.168024 O\n0.328628 0.507452 0.668024 O\n0.171372 0.007452 0.331976 O\n0.674991 0.506720 0.168756 O\n0.825009 0.006720 0.831244 O\n0.174991 0.493280 0.331244 O\n0.325009 0.993280 0.668756 O\n0.325009 0.493280 0.831244 O\n0.174991 0.993280 0.168756 O\n0.825009 0.506720 0.668756 O\n0.674991 0.006720 0.331244 O\n0.930468 0.728036 0.199721 O\n0.569532 0.228036 0.800279 O\n0.430468 0.271964 0.300279 O\n0.069532 0.771964 0.699721 O\n0.069532 0.271964 0.800279 O\n0.430468 0.771964 0.199721 O\n0.569532 0.728036 0.699721 O\n0.930468 0.228036 0.300279 O\n0.903538 0.636664 0.069167 O\n0.596462 0.136664 0.930833 O\n0.403538 0.363336 0.430833 O\n0.096462 0.863336 0.569167 O\n0.096462 0.363336 0.930833 O\n0.403538 0.863336 0.069167 O\n0.596462 0.636664 0.569167 O\n0.903538 0.136664 0.430833 O\n0.151573 0.661390 0.968465 O\n0.348427 0.161390 0.031535 O\n0.651573 0.338610 0.531535 O\n0.848427 0.838610 0.468465 O\n0.848427 0.338610 0.031535 O\n0.651573 0.838610 0.968465 O\n0.348427 0.661390 0.468465 O\n0.151573 0.161390 0.531535 O\n",
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}
]
}