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{
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{
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},
{
"id": "mp-1232381",
"created_at": "2022-09-04T14:45:34.029901Z",
"structure_string": "Zn2 Cd2 Te2\n1.0\n5.135783 -0.036176 0.178796\n-0.036176 5.135790 0.178794\n-2.413904 -2.413911 5.953979\nZn Cd Te\n2 2 2\ndirect\n0.832807 0.048027 0.892331 Zn\n0.298027 0.582807 0.392331 Zn\n0.532411 0.438520 0.079278 Cd\n0.688520 0.282410 0.579278 Cd\n0.964876 0.956776 0.278392 Te\n0.206776 0.714875 0.778391 Te\n",
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},
{
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"created_at": "2022-09-04T14:45:34.050286Z",
"structure_string": "Yb2 As2 O8\n1.0\n-3.610881 3.610881 3.212163\n3.610881 -3.610881 3.212163\n3.610881 3.610881 -3.212163\nYb As O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Yb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.831229 0.015663 0.184435 O\n0.896794 0.581229 0.315565 O\n0.265663 0.581229 0.684435 O\n0.831229 0.646794 0.815565 O\n0.353206 0.168771 0.184435 O\n0.418771 0.734337 0.315565 O\n0.418771 0.103206 0.684435 O\n0.984337 0.168771 0.815565 O\n",
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"formula_full": "Yb2 As2 O8",
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{
"id": "mp-1193367",
"created_at": "2022-09-04T14:45:34.168817Z",
"structure_string": "Na2 Ca4 Si6 O18\n1.0\n7.010772 0.000000 0.000000\n-0.025977 7.162675 0.000000\n-1.728108 -0.815283 7.864132\nNa Ca Si O\n2 4 6 18\ndirect\n0.266602 0.347839 0.561581 Na\n0.733398 0.652161 0.438419 Na\n0.589191 0.149361 0.855595 Ca\n0.410809 0.850639 0.144405 Ca\n0.087364 0.140375 0.848507 Ca\n0.912636 0.859625 0.151493 Ca\n0.594196 0.662834 0.781351 Si\n0.405804 0.337166 0.218649 Si\n0.049823 0.658179 0.784331 Si\n0.950177 0.341821 0.215669 Si\n0.265515 0.855162 0.547988 Si\n0.734485 0.144838 0.452012 Si\n0.788737 0.129721 0.653990 O\n0.211263 0.870279 0.346010 O\n0.295395 0.053291 0.668069 O\n0.704605 0.946709 0.331931 O\n0.504953 0.457301 0.805651 O\n0.495047 0.542699 0.194349 O\n0.150392 0.455903 0.817066 O\n0.849608 0.544097 0.182934 O\n0.611194 0.828276 0.934977 O\n0.388806 0.171724 0.065023 O\n0.107200 0.823682 0.940153 O\n0.892800 0.176318 0.059847 O\n0.467919 0.728750 0.599120 O\n0.532081 0.271250 0.400880 O\n0.092093 0.725916 0.605216 O\n0.907907 0.274084 0.394784 O\n0.810559 0.613704 0.737816 O\n0.189441 0.386296 0.262184 O\n",
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{
"id": "mp-1248251",
"created_at": "2022-09-04T14:45:34.504385Z",
"structure_string": "Al4 V4 O12\n1.0\n5.036054 0.000000 0.000000\n0.000000 5.052761 0.000000\n0.000000 0.000000 7.862989\nAl V O\n4 4 12\ndirect\n0.976681 0.495364 0.250000 Al\n0.476681 0.004636 0.750000 Al\n0.523319 0.995364 0.250000 Al\n0.023319 0.504636 0.750000 Al\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.650266 0.836155 0.919523 O\n0.150266 0.663845 0.080477 O\n0.849734 0.336155 0.580477 O\n0.349734 0.163845 0.419523 O\n0.349734 0.163845 0.080477 O\n0.849734 0.336155 0.919523 O\n0.150266 0.663845 0.419523 O\n0.650266 0.836155 0.580477 O\n0.139213 0.857327 0.750000 O\n0.639213 0.642673 0.250000 O\n0.360787 0.357327 0.750000 O\n0.860787 0.142673 0.250000 O\n",
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{
"id": "mp-1204019",
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"structure_string": "Nd2 Ag2 H20 C40 N12 O16\n1.0\n8.715543 7.302578 0.000000\n-8.715543 7.302578 0.000000\n0.000000 3.961907 8.315566\nNd Ag H C N O\n2 2 20 40 12 16\ndirect\n0.406369 0.593631 0.250000 Nd\n0.593631 0.406369 0.750000 Nd\n0.859698 0.140302 0.750000 Ag\n0.140302 0.859698 0.250000 Ag\n0.070495 0.436014 0.624421 H\n0.563986 0.929505 0.875579 H\n0.929505 0.563986 0.375579 H\n0.436014 0.070495 0.124421 H\n0.842765 0.319965 0.123968 H\n0.680035 0.157235 0.376032 H\n0.157235 0.680035 0.876032 H\n0.319965 0.842765 0.623968 H\n0.246359 0.347809 0.984403 H\n0.652191 0.753641 0.515597 H\n0.753641 0.652191 0.015597 H\n0.347809 0.246359 0.484403 H\n0.881308 0.332999 0.374722 H\n0.667001 0.118692 0.125278 H\n0.118692 0.667001 0.625278 H\n0.332999 0.881308 0.874722 H\n0.173799 0.164742 0.217169 H\n0.835258 0.826201 0.282831 H\n0.826201 0.835258 0.782831 H\n0.164742 0.173799 0.717169 H\n0.063240 0.407644 0.750493 C\n0.592356 0.936760 0.749507 C\n0.936760 0.592356 0.249507 C\n0.407644 0.063240 0.250493 C\n0.945289 0.382364 0.870514 C\n0.617636 0.054711 0.629486 C\n0.054711 0.617636 0.129486 C\n0.382364 0.945289 0.370514 C\n0.935328 0.340514 0.032712 C\n0.659486 0.064672 0.467288 C\n0.064672 0.659486 0.967288 C\n0.340514 0.935328 0.532712 C\n0.042582 0.324536 0.072963 C\n0.675464 0.957418 0.427037 C\n0.957418 0.675464 0.927037 C\n0.324536 0.042582 0.572963 C\n0.161276 0.355629 0.954081 C\n0.644371 0.838724 0.545919 C\n0.838724 0.644371 0.045919 C\n0.355629 0.161276 0.454081 C\n0.171686 0.396137 0.792027 C\n0.603863 0.828314 0.707973 C\n0.828314 0.603863 0.207973 C\n0.396137 0.171686 0.292027 C\n0.949809 0.277586 0.372429 C\n0.722414 0.050191 0.127571 C\n0.050191 0.722414 0.627571 C\n0.277586 0.949809 0.872429 C\n0.100964 0.192216 0.294245 C\n0.807784 0.899036 0.205755 C\n0.899036 0.807784 0.705755 C\n0.192216 0.100964 0.794245 C\n0.826771 0.393790 0.828575 C\n0.606210 0.173229 0.671425 C\n0.173229 0.606210 0.171425 C\n0.393790 0.826771 0.328575 C\n0.299593 0.419651 0.664526 C\n0.580349 0.700407 0.835474 C\n0.700407 0.580349 0.335474 C\n0.419651 0.299593 0.164526 C\n0.031785 0.270315 0.237670 N\n0.729685 0.968215 0.262330 N\n0.968215 0.729685 0.762330 N\n0.270315 0.031785 0.737670 N\n0.968611 0.208329 0.500452 N\n0.791671 0.031389 0.999548 N\n0.031389 0.791671 0.499548 N\n0.208329 0.968611 0.000452 N\n0.064925 0.154186 0.451521 N\n0.845814 0.935075 0.048479 N\n0.935075 0.845814 0.548479 N\n0.154186 0.064925 0.951521 N\n0.831944 0.414723 0.682743 O\n0.585277 0.168056 0.817257 O\n0.168056 0.585277 0.317257 O\n0.414723 0.831944 0.182743 O\n0.724281 0.380492 0.939824 O\n0.619508 0.275719 0.560176 O\n0.275719 0.619508 0.060176 O\n0.380492 0.724281 0.439824 O\n0.302200 0.442049 0.520787 O\n0.557951 0.697800 0.979213 O\n0.697800 0.557951 0.479213 O\n0.442049 0.302200 0.020787 O\n0.393971 0.409991 0.710267 O\n0.590009 0.606029 0.789733 O\n0.606029 0.590009 0.289733 O\n0.409991 0.393971 0.210267 O\n",
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{
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"structure_string": "Sr1 Ca1 Ni4 O12\n1.0\n5.397230 0.000000 0.000000\n0.000000 5.397230 0.000000\n0.000000 0.000000 7.614861\nSr Ca Ni O\n1 1 4 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.500000 0.750681 Ni\n0.000000 0.500000 0.249319 Ni\n0.500000 0.000000 0.750681 Ni\n0.500000 0.000000 0.249319 Ni\n0.255577 0.255577 0.757222 O\n0.255577 0.255577 0.242778 O\n0.744423 0.744423 0.757222 O\n0.744423 0.744423 0.242778 O\n0.744423 0.255577 0.757222 O\n0.744423 0.255577 0.242778 O\n0.255577 0.744423 0.242778 O\n0.255577 0.744423 0.757222 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n",
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{
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],
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},
{
"id": "mp-1096371",
"created_at": "2022-09-04T14:45:34.052677Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n-5.564453 5.931409 8.383128\n5.564453 -5.931409 8.383128\n5.564453 5.931409 -8.383128\nMg Ag Hg\n2 1 1\ndirect\n0.000000 0.240443 0.240443 Mg\n0.000000 0.759557 0.759557 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
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],
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"density": 0.5357397031516079,
"density_atomic": 0.0036142114074729013,
"volume": 1106.7421213184778,
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"formula_full": "Mg2 Ag1 Hg1",
"formula_reduced": "Mg2AgHg",
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"updated_at": "2021-11-28T01:37:04.854000Z",
"spacegroup": 71
},
{
"id": "mp-1183338",
"created_at": "2022-09-04T14:45:34.115346Z",
"structure_string": "Ba1 Na2 Sn1\n1.0\n0.000000 3.992987 3.992987\n3.992987 0.000000 3.992987\n3.992987 3.992987 0.000000\nBa Na Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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],
"chemical_system": "Ba-Na-Sn",
"density": 3.938729345653769,
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"volume": 127.32793168222689,
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"formula_full": "Ba1 Na2 Sn1",
"formula_reduced": "BaNa2Sn",
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"updated_at": "2021-11-28T01:37:06.466000Z",
"spacegroup": 225
},
{
"id": "mp-773874",
"created_at": "2022-09-04T14:45:33.830357Z",
"structure_string": "Cu1 Sb3 P6 O24\n1.0\n7.764789 -4.300973 0.000000\n7.764789 4.300973 0.000000\n5.382449 0.000000 7.058297\nCu Sb P O\n1 3 6 24\ndirect\n0.144813 0.144813 0.144813 Cu\n0.856855 0.856855 0.856855 Sb\n0.643500 0.643500 0.643500 Sb\n0.356625 0.356625 0.356625 Sb\n0.532303 0.963978 0.248439 P\n0.248439 0.532303 0.963978 P\n0.963978 0.248439 0.532303 P\n0.039410 0.755464 0.456853 P\n0.755464 0.456853 0.039410 P\n0.456853 0.039410 0.755464 P\n0.487222 0.867292 0.723294 O\n0.867292 0.723294 0.487222 O\n0.720057 0.940786 0.076029 O\n0.723294 0.487222 0.867292 O\n0.560378 0.781485 0.424067 O\n0.365178 0.985787 0.225526 O\n0.076029 0.720057 0.940786 O\n0.424067 0.560378 0.781485 O\n0.781485 0.424067 0.560378 O\n0.014118 0.771935 0.635827 O\n0.057615 0.926469 0.280035 O\n0.771935 0.635827 0.014118 O\n0.225526 0.365178 0.985787 O\n0.940786 0.076029 0.720057 O\n0.985787 0.225526 0.365178 O\n0.217800 0.573320 0.443797 O\n0.573320 0.443797 0.217800 O\n0.926469 0.280035 0.057615 O\n0.635827 0.014118 0.771935 O\n0.443797 0.217800 0.573320 O\n0.274995 0.515836 0.132912 O\n0.280035 0.057615 0.926469 O\n0.132913 0.274995 0.515836 O\n0.515836 0.132912 0.274995 O\n",
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}
]
}