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{
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"results": [
{
"id": "mp-1047021",
"created_at": "2022-09-04T14:48:00.895934Z",
"structure_string": "Ca4 Nb4 Co2 O16\n1.0\n3.184896 9.504413 0.000000\n-3.184896 9.504413 0.000000\n0.000000 0.136812 5.475114\nCa Nb Co O\n4 4 2 16\ndirect\n0.887025 0.529984 0.255950 Ca\n0.470016 0.112975 0.244050 Ca\n0.112975 0.470016 0.744050 Ca\n0.529984 0.887025 0.755950 Ca\n0.042547 0.736268 0.250242 Nb\n0.263732 0.957453 0.249758 Nb\n0.957453 0.263732 0.749758 Nb\n0.736268 0.042547 0.750242 Nb\n0.643380 0.356620 0.250000 Co\n0.356620 0.643380 0.750000 Co\n0.056963 0.804770 0.587494 O\n0.195230 0.943037 0.912506 O\n0.943037 0.195230 0.412506 O\n0.804770 0.056963 0.087494 O\n0.299097 0.587488 0.079038 O\n0.412512 0.700903 0.420962 O\n0.700903 0.412512 0.920962 O\n0.587488 0.299097 0.579038 O\n0.879965 0.755235 0.000203 O\n0.244765 0.120035 0.499797 O\n0.467341 0.165103 0.843532 O\n0.834897 0.532659 0.656468 O\n0.532659 0.834897 0.156468 O\n0.165103 0.467341 0.343532 O\n0.755235 0.879965 0.500203 O\n0.120035 0.244765 0.999797 O\n",
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"formula_full": "Ca4 Nb4 Co2 O16",
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"spacegroup": 15
},
{
"id": "mp-771255",
"created_at": "2022-09-04T14:44:25.683547Z",
"structure_string": "Cs16 Si4 O16\n1.0\n7.062090 0.000000 0.000000\n0.000000 11.350628 0.000000\n0.000000 4.217414 10.833447\nCs Si O\n16 4 16\ndirect\n0.591629 0.299923 0.064983 Cs\n0.119339 0.415056 0.150247 Cs\n0.908371 0.799923 0.064983 Cs\n0.334046 0.105089 0.369848 Cs\n0.380661 0.915056 0.150247 Cs\n0.824981 0.211860 0.415426 Cs\n0.165954 0.605089 0.369848 Cs\n0.324981 0.288140 0.584574 Cs\n0.675019 0.711860 0.415426 Cs\n0.834046 0.394911 0.630152 Cs\n0.175019 0.788140 0.584574 Cs\n0.619339 0.084944 0.849753 Cs\n0.665954 0.894911 0.630152 Cs\n0.091629 0.200077 0.935017 Cs\n0.880661 0.584944 0.849753 Cs\n0.408371 0.700077 0.935017 Cs\n0.872140 0.009839 0.240314 Si\n0.627860 0.509839 0.240314 Si\n0.372140 0.490161 0.759686 Si\n0.127860 0.990161 0.759686 Si\n0.773747 0.021854 0.105310 O\n0.999863 0.140789 0.219631 O\n0.726253 0.521854 0.105310 O\n0.488823 0.380837 0.292919 O\n0.500137 0.640789 0.219631 O\n0.802344 0.497171 0.342743 O\n0.011177 0.880837 0.292919 O\n0.302344 0.002829 0.657257 O\n0.697656 0.997171 0.342743 O\n0.988823 0.119163 0.707081 O\n0.197656 0.502829 0.657257 O\n0.499863 0.359211 0.780369 O\n0.511177 0.619163 0.707081 O\n0.273747 0.478146 0.894690 O\n0.000137 0.859211 0.780369 O\n0.226253 0.978146 0.894690 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 4.770549962195252,
"density_atomic": 0.04145555170615196,
"volume": 868.3999734264214,
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"formula_full": "Cs16 Si4 O16",
"formula_reduced": "Cs4SiO4",
"formula_anonymous": "AB4C4",
"energy": -194.70892293,
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"spacegroup": 14
},
{
"id": "mp-603935",
"created_at": "2022-09-04T14:45:56.407129Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n8.340323 0.000000 0.000000\n0.000000 7.070519 0.000000\n0.000000 0.270797 7.337755\nSr Cr O\n4 4 16\ndirect\n0.953871 0.242454 0.169646 Sr\n0.453871 0.257546 0.830354 Sr\n0.046129 0.757546 0.830354 Sr\n0.546129 0.742454 0.169646 Sr\n0.498839 0.715799 0.722197 Cr\n0.501161 0.284201 0.277803 Cr\n0.001161 0.215799 0.722197 Cr\n0.998839 0.784201 0.277803 Cr\n0.474954 0.082864 0.170620 O\n0.525046 0.917136 0.829380 O\n0.134938 0.935582 0.194364 O\n0.822247 0.878291 0.209761 O\n0.974954 0.417136 0.829380 O\n0.492943 0.258812 0.500532 O\n0.865062 0.064418 0.805636 O\n0.322247 0.621709 0.790239 O\n0.025046 0.582864 0.170620 O\n0.507057 0.741188 0.499468 O\n0.007057 0.758812 0.500532 O\n0.634938 0.564418 0.805636 O\n0.365062 0.435582 0.194364 O\n0.677753 0.378291 0.209761 O\n0.177753 0.121709 0.790239 O\n0.992943 0.241188 0.499468 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.12549431896953,
"density_atomic": 0.05546434274290792,
"volume": 432.71043724878206,
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"formula_full": "Sr4 Cr4 O16",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:12.615000Z",
"spacegroup": 14
},
{
"id": "mp-722714",
"created_at": "2022-09-04T14:48:09.781289Z",
"structure_string": "Mg2 Cd2 H8 N8 O20\n1.0\n3.545565 5.786969 0.000000\n-3.545565 5.786969 0.000000\n0.000000 0.345030 12.224381\nMg Cd H N O\n2 2 8 8 20\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.013724 0.986276 0.750000 Cd\n0.986276 0.013724 0.250000 Cd\n0.774637 0.591151 0.938461 H\n0.408849 0.225363 0.561539 H\n0.225363 0.408849 0.061539 H\n0.591151 0.774637 0.438461 H\n0.770406 0.579442 0.067168 H\n0.420558 0.229594 0.432832 H\n0.229594 0.420558 0.932832 H\n0.579442 0.770406 0.567168 H\n0.732921 0.286057 0.579280 N\n0.713943 0.267079 0.920720 N\n0.267079 0.713943 0.420720 N\n0.286057 0.732921 0.079280 N\n0.132642 0.510567 0.728754 N\n0.489433 0.867358 0.771246 N\n0.867358 0.489433 0.271246 N\n0.510567 0.132642 0.228754 N\n0.684742 0.159911 0.639011 O\n0.840089 0.315258 0.860989 O\n0.315258 0.840089 0.360989 O\n0.159911 0.684742 0.139011 O\n0.924343 0.271729 0.598235 O\n0.728271 0.075657 0.901765 O\n0.075657 0.728271 0.401765 O\n0.271729 0.924343 0.098235 O\n0.146551 0.606928 0.813285 O\n0.393072 0.853449 0.686715 O\n0.853449 0.393072 0.186715 O\n0.606928 0.146551 0.313285 O\n0.049774 0.642048 0.647296 O\n0.357952 0.950226 0.852704 O\n0.950226 0.357952 0.352704 O\n0.642048 0.049774 0.147296 O\n0.746002 0.681769 0.004210 O\n0.318231 0.253998 0.495790 O\n0.253998 0.318231 0.995790 O\n0.681769 0.746002 0.504210 O\n",
"nsites": 40,
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"elements": [
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"Cd",
"H",
"N",
"O"
],
"chemical_system": "Cd-H-Mg-N-O",
"density": 2.361958094846488,
"density_atomic": 0.07973821528053095,
"volume": 501.64152607722696,
"volume_molar": 7.552389702745679,
"formula_full": "Mg2 Cd2 H8 N8 O20",
"formula_reduced": "MgCdH4(N2O5)2",
"formula_anonymous": "ABC4D4E10",
"energy": -243.18994744000003,
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"updated_at": "2021-11-28T01:38:29.375000Z",
"spacegroup": 15
},
{
"id": "mp-1193049",
"created_at": "2022-09-04T14:46:01.173124Z",
"structure_string": "Cs2 Sn1 H6 O12\n1.0\n3.931293 -6.809200 0.000000\n3.931293 6.809200 0.000000\n0.000000 0.000000 5.099616\nCs Sn H O\n2 1 6 12\ndirect\n0.333333 0.666667 0.378863 Cs\n0.666667 0.333333 0.621137 Cs\n0.000000 0.000000 0.500000 Sn\n0.271820 0.284163 0.999939 H\n0.012343 0.728180 0.999939 H\n0.715837 0.987657 0.999939 H\n0.728180 0.715837 0.000061 H\n0.987657 0.271820 0.000061 H\n0.284163 0.012343 0.000061 H\n0.084162 0.258312 0.729154 O\n0.174150 0.915838 0.729154 O\n0.741688 0.825850 0.729154 O\n0.915838 0.741688 0.270846 O\n0.825850 0.084162 0.270846 O\n0.258312 0.174150 0.270846 O\n0.288563 0.349504 0.821527 O\n0.060941 0.711437 0.821527 O\n0.650496 0.939059 0.821527 O\n0.711437 0.650496 0.178473 O\n0.939059 0.288563 0.178473 O\n0.349504 0.060941 0.178473 O\n",
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"elements": [
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"density": 3.543168339455922,
"density_atomic": 0.076916642844885,
"volume": 273.02283645361297,
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"formula_full": "Cs2 Sn1 H6 O12",
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"spacegroup": 147
},
{
"id": "mp-762197",
"created_at": "2022-09-04T14:48:31.112652Z",
"structure_string": "Rb2 Al2 H16 N8\n1.0\n7.979233 0.000000 0.000000\n0.000000 7.979233 0.000000\n0.000000 0.000000 5.134095\nRb Al H N\n2 2 16 8\ndirect\n0.000000 0.500000 0.624042 Rb\n0.500000 0.000000 0.375958 Rb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.214364 0.526675 0.140581 H\n0.459719 0.329894 0.604468 H\n0.026675 0.285636 0.140581 H\n0.670106 0.459719 0.395532 H\n0.329894 0.540281 0.395532 H\n0.973325 0.714364 0.140581 H\n0.540281 0.670106 0.604468 H\n0.785636 0.473325 0.140581 H\n0.714364 0.026675 0.859419 H\n0.959719 0.829894 0.395532 H\n0.526675 0.785636 0.859419 H\n0.170106 0.959719 0.604468 H\n0.829894 0.040281 0.604468 H\n0.473325 0.214364 0.859419 H\n0.040281 0.170106 0.395532 H\n0.285636 0.973325 0.859419 H\n0.472082 0.683746 0.773127 N\n0.316254 0.472082 0.226873 N\n0.683746 0.527918 0.226873 N\n0.527918 0.316254 0.773127 N\n0.972082 0.183746 0.226873 N\n0.816254 0.972082 0.773127 N\n0.183746 0.027918 0.773127 N\n0.027918 0.816254 0.226873 N\n",
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"formula_full": "Rb2 Al2 H16 N8",
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},
{
"id": "mp-754824",
"created_at": "2022-09-04T14:42:24.661720Z",
"structure_string": "Sr2 O2\n1.0\n2.153754 -3.730411 0.000000\n2.153754 3.730411 0.000000\n0.000000 0.000000 5.204858\nSr O\n2 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.333333 0.666667 0.250000 O\n0.666667 0.333333 0.750000 O\n",
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},
{
"id": "mp-572970",
"created_at": "2022-09-04T14:41:33.597927Z",
"structure_string": "W8 S8 Cl32\n1.0\n13.637977 0.000000 0.000000\n0.000000 9.605947 0.000000\n0.000000 4.992363 12.491081\nW S Cl\n8 8 32\ndirect\n0.913301 0.629286 0.662434 W\n0.413301 0.370714 0.837566 W\n0.360237 0.955631 0.415789 W\n0.639763 0.044369 0.584211 W\n0.086699 0.370714 0.337566 W\n0.139763 0.955631 0.915789 W\n0.586699 0.629286 0.162434 W\n0.860237 0.044369 0.084211 W\n0.539430 0.494156 0.767709 S\n0.786293 0.010779 0.228244 S\n0.039430 0.505844 0.732291 S\n0.213707 0.989221 0.771756 S\n0.460570 0.505844 0.232291 S\n0.286293 0.989221 0.271756 S\n0.713707 0.010779 0.728244 S\n0.960570 0.494156 0.267709 S\n0.048308 0.129978 0.353775 Cl\n0.058215 0.293313 0.518957 Cl\n0.555742 0.263972 0.549946 Cl\n0.951692 0.870022 0.646225 Cl\n0.944258 0.263972 0.049946 Cl\n0.308998 0.547187 0.858111 Cl\n0.441785 0.293313 0.018957 Cl\n0.507994 0.080105 0.354793 Cl\n0.558215 0.706687 0.981043 Cl\n0.818282 0.615899 0.807487 Cl\n0.749262 0.177237 0.955767 Cl\n0.318282 0.384101 0.692513 Cl\n0.191002 0.547187 0.358111 Cl\n0.683862 0.836667 0.546232 Cl\n0.681718 0.615899 0.307487 Cl\n0.444258 0.736028 0.450054 Cl\n0.250738 0.822763 0.044233 Cl\n0.249262 0.822763 0.544233 Cl\n0.816138 0.836667 0.046232 Cl\n0.451692 0.129978 0.853775 Cl\n0.055742 0.736028 0.950054 Cl\n0.992006 0.080105 0.854793 Cl\n0.691002 0.452813 0.141889 Cl\n0.492006 0.919895 0.645207 Cl\n0.548308 0.870022 0.146225 Cl\n0.750738 0.177237 0.455767 Cl\n0.183862 0.163333 0.953768 Cl\n0.316138 0.163333 0.453768 Cl\n0.181718 0.384101 0.192513 Cl\n0.941785 0.706687 0.481043 Cl\n0.007994 0.919895 0.145207 Cl\n0.808998 0.452813 0.641889 Cl\n",
"nsites": 48,
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},
{
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],
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"formula_full": "Rb2 Bi2 C8 S8 N8",
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},
{
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"structure_string": "Rb16 Si4 O16\n1.0\n6.787819 0.000000 0.000000\n0.000000 10.926404 0.000000\n0.000000 4.192251 10.176039\nRb Si O\n16 4 16\ndirect\n0.592415 0.300695 0.064906 Rb\n0.113830 0.417591 0.155257 Rb\n0.907585 0.800695 0.064906 Rb\n0.333024 0.109603 0.368874 Rb\n0.818374 0.206365 0.422646 Rb\n0.386170 0.917591 0.155257 Rb\n0.166976 0.609603 0.368874 Rb\n0.318374 0.293635 0.577354 Rb\n0.681626 0.706365 0.422646 Rb\n0.833024 0.390397 0.631126 Rb\n0.613830 0.082409 0.844743 Rb\n0.181626 0.793635 0.577354 Rb\n0.666976 0.890397 0.631126 Rb\n0.092415 0.199305 0.935094 Rb\n0.886170 0.582409 0.844743 Rb\n0.407585 0.699305 0.935094 Rb\n0.869579 0.010922 0.241424 Si\n0.630421 0.510922 0.241424 Si\n0.369579 0.489078 0.758576 Si\n0.130421 0.989078 0.758576 Si\n0.769668 0.026842 0.097591 O\n0.996902 0.148996 0.219987 O\n0.730332 0.526842 0.097591 O\n0.482253 0.377512 0.298727 O\n0.503098 0.648996 0.219987 O\n0.813213 0.491395 0.350595 O\n0.017747 0.877512 0.298727 O\n0.313213 0.008605 0.649405 O\n0.686787 0.991395 0.350595 O\n0.982253 0.122488 0.701273 O\n0.186787 0.508605 0.649405 O\n0.496902 0.351004 0.780013 O\n0.517747 0.622488 0.701273 O\n0.269668 0.473158 0.902409 O\n0.003098 0.851004 0.780013 O\n0.230332 0.973158 0.902409 O\n",
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"elements": [
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"chemical_system": "O-Rb-Si",
"density": 3.8191508676068633,
"density_atomic": 0.04769976401827912,
"volume": 754.7207148908403,
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"formula_full": "Rb16 Si4 O16",
"formula_reduced": "Rb4SiO4",
"formula_anonymous": "AB4C4",
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"updated_at": "2021-11-28T01:36:08.289000Z",
"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:40:08.338896Z",
"structure_string": "Li2 H1 N1\n1.0\n3.205769 -1.801551 0.000000\n3.205769 1.801551 0.000000\n2.193349 0.000000 2.951569\nLi H N\n2 1 1\ndirect\n0.282210 0.282210 0.282210 Li\n0.747246 0.747246 0.747246 Li\n0.088517 0.088517 0.088517 H\n0.975026 0.975026 0.975026 N\n",
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"elements": [
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],
"chemical_system": "H-Li-N",
"density": 1.4074556633984319,
"density_atomic": 0.11732708192196223,
"volume": 34.092725519761245,
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"formula_full": "Li2 H1 N1",
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"formation_energy": null,
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"updated_at": "2021-11-28T01:34:48.751000Z",
"spacegroup": 160
},
{
"id": "mp-771411",
"created_at": "2022-09-04T14:40:09.258560Z",
"structure_string": "Sr6 Ge2 O10\n1.0\n-3.489744 3.489744 5.676368\n3.489744 -3.489744 5.676368\n3.489744 3.489744 -5.676368\nSr Ge O\n6 2 10\ndirect\n0.505338 0.505338 0.000000 Sr\n0.005338 0.005338 0.000000 Sr\n0.068725 0.568725 0.135248 Sr\n0.568725 0.433478 0.500000 Sr\n0.433478 0.933478 0.864752 Sr\n0.933478 0.068725 0.500000 Sr\n0.499536 0.999536 0.500000 Ge\n0.999536 0.499536 0.500000 Ge\n0.242829 0.242829 0.000000 O\n0.742829 0.742829 0.000000 O\n0.454975 0.954975 0.218041 O\n0.954975 0.736935 0.500000 O\n0.760086 0.260086 0.218496 O\n0.260086 0.041590 0.500000 O\n0.736935 0.236935 0.781959 O\n0.236935 0.454975 0.500000 O\n0.041590 0.541590 0.781504 O\n0.541590 0.760086 0.500000 O\n",
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"density": 4.990330541231727,
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"volume": 276.5143490414184,
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"formula_full": "Sr6 Ge2 O10",
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}
]
}