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{
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"results": [
{
"id": "mp-29259",
"created_at": "2022-09-04T14:39:26.272778Z",
"structure_string": "Bi8 Pd4 O16\n1.0\n8.612466 0.000000 0.000000\n0.000000 8.612466 0.000000\n0.000000 0.000000 6.169967\nBi Pd O\n8 4 16\ndirect\n0.326559 0.673441 0.750000 Bi\n0.173441 0.173441 0.750000 Bi\n0.826559 0.826559 0.750000 Bi\n0.673441 0.326559 0.750000 Bi\n0.173441 0.826559 0.250000 Bi\n0.326559 0.326559 0.250000 Bi\n0.673441 0.673441 0.250000 Bi\n0.826559 0.173441 0.250000 Bi\n0.000000 0.500000 0.580038 Pd\n0.500000 0.000000 0.919962 Pd\n0.500000 0.000000 0.419962 Pd\n0.000000 0.500000 0.080038 Pd\n0.215458 0.398424 0.587489 O\n0.784542 0.601576 0.587489 O\n0.101576 0.715458 0.587489 O\n0.898424 0.284542 0.587489 O\n0.398424 0.215458 0.912511 O\n0.715458 0.101576 0.912511 O\n0.284542 0.898424 0.912511 O\n0.601576 0.784542 0.912511 O\n0.284542 0.101576 0.412511 O\n0.715458 0.898424 0.412511 O\n0.398424 0.784542 0.412511 O\n0.601576 0.215458 0.412511 O\n0.898424 0.715458 0.087489 O\n0.215458 0.601576 0.087489 O\n0.784542 0.398424 0.087489 O\n0.101576 0.284542 0.087489 O\n",
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},
{
"id": "mp-12137",
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"structure_string": "Ca1 Zn2 Si2\n1.0\n-2.124982 2.124982 5.086510\n2.124982 -2.124982 5.086510\n2.124982 2.124982 -5.086510\nCa Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.615417 0.615417 0.000000 Si\n0.384583 0.384583 0.000000 Si\n",
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"elements": [
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"formula_full": "Ca1 Zn2 Si2",
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"updated_at": "2021-11-28T01:34:37.260000Z",
"spacegroup": 139
},
{
"id": "mp-568606",
"created_at": "2022-09-04T14:39:25.950156Z",
"structure_string": "Cs2 Er2 Ta12 Cl36\n1.0\n4.704012 -8.147588 0.000000\n4.704012 8.147588 0.000000\n0.000000 0.000000 17.477165\nCs Er Ta Cl\n2 2 12 36\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.666667 0.333333 0.750000 Er\n0.333333 0.666667 0.250000 Er\n0.040864 0.194022 0.067277 Ta\n0.153159 0.959136 0.067277 Ta\n0.805978 0.959136 0.432723 Ta\n0.846841 0.040864 0.932723 Ta\n0.846841 0.805978 0.567277 Ta\n0.194022 0.040864 0.567277 Ta\n0.959136 0.153159 0.567277 Ta\n0.040864 0.846841 0.432723 Ta\n0.153159 0.194022 0.432723 Ta\n0.194022 0.153159 0.932723 Ta\n0.805978 0.846841 0.067277 Ta\n0.959136 0.805978 0.932723 Ta\n0.184946 0.951611 0.840107 Cl\n0.861869 0.584906 0.498632 Cl\n0.233334 0.184946 0.159893 Cl\n0.723037 0.584906 0.001368 Cl\n0.184946 0.233334 0.659893 Cl\n0.276963 0.861869 0.501368 Cl\n0.723037 0.138131 0.498632 Cl\n0.355808 0.908083 0.161834 Cl\n0.138131 0.415094 0.501368 Cl\n0.644192 0.091917 0.838166 Cl\n0.447725 0.355808 0.838166 Cl\n0.815054 0.048389 0.159893 Cl\n0.584906 0.861869 0.998632 Cl\n0.091917 0.644192 0.338166 Cl\n0.138131 0.723037 0.998632 Cl\n0.415094 0.276963 0.498632 Cl\n0.048389 0.233334 0.840107 Cl\n0.276963 0.415094 0.998632 Cl\n0.815054 0.766666 0.340107 Cl\n0.951611 0.184946 0.340107 Cl\n0.355808 0.447725 0.338166 Cl\n0.766666 0.951611 0.659893 Cl\n0.552275 0.908083 0.338166 Cl\n0.951611 0.766666 0.159893 Cl\n0.415094 0.138131 0.001368 Cl\n0.048389 0.815054 0.659893 Cl\n0.552275 0.644192 0.161834 Cl\n0.908083 0.355808 0.661834 Cl\n0.644192 0.552275 0.661834 Cl\n0.447725 0.091917 0.661834 Cl\n0.233334 0.048389 0.340107 Cl\n0.908083 0.552275 0.838166 Cl\n0.584906 0.723037 0.501368 Cl\n0.861869 0.276963 0.001368 Cl\n0.766666 0.815054 0.840107 Cl\n0.091917 0.447725 0.161834 Cl\n",
"nsites": 52,
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"elements": [
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"Ta",
"Cl"
],
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"density": 5.017557618220667,
"density_atomic": 0.03881547281937374,
"volume": 1339.671945823768,
"volume_molar": 15.514794288411203,
"formula_full": "Cs2 Er2 Ta12 Cl36",
"formula_reduced": "CsErTa6Cl18",
"formula_anonymous": "ABC6D18",
"energy": -319.20494305,
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"updated_at": "2021-11-28T01:34:44.790000Z",
"spacegroup": 163
},
{
"id": "mp-28889",
"created_at": "2022-09-04T14:39:26.783824Z",
"structure_string": "Hg20 Sb8 I24\n1.0\n8.432440 0.000000 0.000000\n0.000000 11.283531 0.000000\n0.000000 0.000000 21.896028\nHg Sb I\n20 8 24\ndirect\n0.907694 0.771975 0.175280 Hg\n0.092306 0.271975 0.824720 Hg\n0.592306 0.771975 0.675280 Hg\n0.407694 0.271975 0.324720 Hg\n0.156765 0.659056 0.769719 Hg\n0.843235 0.159056 0.230281 Hg\n0.343235 0.659056 0.269719 Hg\n0.656765 0.159056 0.730281 Hg\n0.949733 0.504606 0.602671 Hg\n0.050267 0.004606 0.397329 Hg\n0.550267 0.504606 0.102671 Hg\n0.449733 0.004606 0.897329 Hg\n0.236699 0.641526 0.479299 Hg\n0.763301 0.141526 0.520701 Hg\n0.263301 0.641526 0.979299 Hg\n0.736699 0.141526 0.020701 Hg\n0.082045 0.900311 0.611032 Hg\n0.917955 0.400311 0.388968 Hg\n0.417955 0.900311 0.111032 Hg\n0.582045 0.400311 0.888968 Hg\n0.229286 0.512051 0.085059 Sb\n0.770714 0.012051 0.914941 Sb\n0.270714 0.512051 0.585059 Sb\n0.729286 0.012051 0.414941 Sb\n0.224540 0.724068 0.158910 Sb\n0.775460 0.224068 0.841090 Sb\n0.275460 0.724068 0.658910 Sb\n0.724540 0.224068 0.341090 Sb\n0.793300 0.783922 0.559066 I\n0.206700 0.283922 0.440934 I\n0.706700 0.783922 0.059066 I\n0.293300 0.283922 0.940934 I\n0.260957 0.008325 0.295914 I\n0.739043 0.508325 0.704086 I\n0.239043 0.008325 0.795914 I\n0.760957 0.508325 0.204086 I\n0.004636 0.612824 0.877269 I\n0.995364 0.112824 0.122731 I\n0.495364 0.612824 0.377269 I\n0.504636 0.112824 0.622731 I\n0.492015 0.144542 0.119169 I\n0.507985 0.644542 0.880831 I\n0.007985 0.144542 0.619169 I\n0.992015 0.644542 0.380831 I\n0.714900 0.411019 0.511551 I\n0.285100 0.911019 0.488449 I\n0.785100 0.411019 0.011551 I\n0.214900 0.911019 0.988449 I\n0.308204 0.382274 0.747447 I\n0.691796 0.882274 0.252553 I\n0.191796 0.382274 0.247447 I\n0.808204 0.882274 0.752553 I\n",
"nsites": 52,
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"elements": [
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"Sb",
"I"
],
"chemical_system": "Hg-I-Sb",
"density": 6.4015752481648756,
"density_atomic": 0.02495972049826458,
"volume": 2083.3566627324813,
"volume_molar": 24.12743668511317,
"formula_full": "Hg20 Sb8 I24",
"formula_reduced": "Hg5(SbI3)2",
"formula_anonymous": "A2B5C6",
"energy": -98.51499595,
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"updated_at": "2021-11-28T01:34:28.369000Z",
"spacegroup": 33
},
{
"id": "mp-572864",
"created_at": "2022-09-04T14:39:26.008007Z",
"structure_string": "Rb20 Th4 P12 S48\n1.0\n10.185078 0.000000 0.000000\n0.000000 13.575209 0.000000\n0.000000 3.751890 18.268883\nRb Th P S\n20 4 12 48\ndirect\n0.663965 0.196108 0.716943 Rb\n0.181804 0.480734 0.129286 Rb\n0.818196 0.519266 0.870714 Rb\n0.384226 0.153766 0.192557 Rb\n0.163965 0.803892 0.783057 Rb\n0.115774 0.153766 0.692557 Rb\n0.144760 0.147761 0.450705 Rb\n0.615774 0.846234 0.807443 Rb\n0.118801 0.485196 0.374498 Rb\n0.884226 0.846234 0.307443 Rb\n0.618801 0.514804 0.125502 Rb\n0.644760 0.852239 0.049295 Rb\n0.881199 0.514804 0.625502 Rb\n0.355240 0.147761 0.950705 Rb\n0.855240 0.852239 0.549295 Rb\n0.336035 0.803892 0.283057 Rb\n0.836035 0.196108 0.216943 Rb\n0.681804 0.519266 0.370714 Rb\n0.318196 0.480734 0.629286 Rb\n0.381199 0.485196 0.874498 Rb\n0.600411 0.182614 0.463834 Th\n0.899589 0.182614 0.963834 Th\n0.100411 0.817386 0.036166 Th\n0.399589 0.817386 0.536166 Th\n0.088821 0.030022 0.131324 P\n0.099887 0.353450 0.820575 P\n0.400113 0.353450 0.320575 P\n0.635940 0.283427 0.018361 P\n0.599887 0.646550 0.679425 P\n0.135940 0.716573 0.481639 P\n0.911179 0.969978 0.868676 P\n0.364060 0.716573 0.981639 P\n0.864060 0.283427 0.518361 P\n0.900113 0.646550 0.179425 P\n0.411179 0.030022 0.631324 P\n0.588821 0.969978 0.368676 P\n0.305260 0.646684 0.457999 S\n0.035956 0.338267 0.546922 S\n0.088683 0.022918 0.239686 S\n0.694740 0.353316 0.542001 S\n0.900552 0.661124 0.066196 S\n0.964044 0.661733 0.453078 S\n0.668856 0.134195 0.065846 S\n0.404211 0.178244 0.577198 S\n0.599448 0.661124 0.566196 S\n0.414881 0.499909 0.269878 S\n0.194740 0.646684 0.957999 S\n0.535956 0.661733 0.953078 S\n0.464044 0.338267 0.046922 S\n0.850138 0.288686 0.407156 S\n0.932510 0.270669 0.806981 S\n0.251630 0.955416 0.102286 S\n0.168856 0.865805 0.434154 S\n0.914881 0.500091 0.230122 S\n0.350138 0.711314 0.092844 S\n0.831144 0.134195 0.565846 S\n0.099448 0.338876 0.933804 S\n0.248370 0.955416 0.602286 S\n0.732148 0.706131 0.211366 S\n0.572105 0.970107 0.586508 S\n0.649862 0.288686 0.907156 S\n0.904211 0.821756 0.922802 S\n0.411317 0.022918 0.739686 S\n0.067490 0.729331 0.193019 S\n0.427895 0.029893 0.413492 S\n0.095789 0.178244 0.077198 S\n0.911317 0.977082 0.760314 S\n0.085119 0.499909 0.769878 S\n0.331144 0.865805 0.934154 S\n0.927895 0.970107 0.086508 S\n0.588683 0.977082 0.260314 S\n0.751630 0.044584 0.397714 S\n0.595789 0.821756 0.422802 S\n0.072105 0.029893 0.913492 S\n0.400552 0.338876 0.433804 S\n0.748370 0.044584 0.897714 S\n0.432510 0.729331 0.693019 S\n0.232148 0.293869 0.288634 S\n0.767852 0.706131 0.711366 S\n0.149862 0.711314 0.592844 S\n0.567490 0.270669 0.306981 S\n0.805260 0.353316 0.042001 S\n0.585119 0.500091 0.730122 S\n0.267852 0.293869 0.788634 S\n",
"nsites": 84,
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"elements": [
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"P",
"S"
],
"chemical_system": "P-Rb-S-Th",
"density": 2.990037255307833,
"density_atomic": 0.03325495831242747,
"volume": 2525.93911593054,
"volume_molar": 18.109001080147227,
"formula_full": "Rb20 Th4 P12 S48",
"formula_reduced": "Rb5Th(PS4)3",
"formula_anonymous": "AB3C5D12",
"energy": -423.03739797,
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"updated_at": "2021-11-28T01:34:38.302000Z",
"spacegroup": 14
},
{
"id": "mp-568266",
"created_at": "2022-09-04T14:39:26.150885Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.043323 -3.539140 0.000000\n2.043323 3.539140 0.000000\n0.000000 0.000000 13.806781\nTm Ni As\n4 2 4\ndirect\n0.333333 0.666667 0.880492 Tm\n0.666667 0.333333 0.380492 Tm\n0.666667 0.333333 0.115694 Tm\n0.333333 0.666667 0.615694 Tm\n0.000000 0.000000 0.734655 Ni\n0.000000 0.000000 0.234655 Ni\n0.000000 0.000000 0.500185 As\n0.000000 0.000000 0.000185 As\n0.666667 0.333333 0.752643 As\n0.333333 0.666667 0.252643 As\n",
"nsites": 10,
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],
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"density": 9.087335782116462,
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"volume": 199.69040512004406,
"volume_molar": 12.025637280543299,
"formula_full": "Tm4 Ni2 As4",
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"formula_anonymous": "AB2C2",
"energy": -60.2467422,
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"spacegroup": 186
},
{
"id": "mp-1077991",
"created_at": "2022-09-04T14:39:26.156000Z",
"structure_string": "Cs2 Tm1 Cl4\n1.0\n-2.660311 2.660311 8.713719\n2.660311 -2.660311 8.713719\n2.660311 2.660311 -8.713719\nCs Tm Cl\n2 1 4\ndirect\n0.642586 0.642586 0.000000 Cs\n0.357414 0.357414 0.000000 Cs\n0.000000 0.000000 0.000000 Tm\n0.845522 0.845522 0.000000 Cl\n0.154478 0.154478 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
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"volume": 246.67683208623797,
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"formula_full": "Cs2 Tm1 Cl4",
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"spacegroup": 139
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{
"id": "mp-1194999",
"created_at": "2022-09-04T14:39:26.157414Z",
"structure_string": "Na2 Co4 As6 O20\n1.0\n6.604064 -0.031392 -2.218256\n-2.313430 7.160481 -2.398398\n-0.045604 0.051831 8.835708\nNa Co As O\n2 4 6 20\ndirect\n0.254461 0.304699 0.450901 Na\n0.745416 0.695256 0.549044 Na\n0.889201 0.167933 0.061068 Co\n0.111684 0.832486 0.938837 Co\n0.547920 0.351478 0.862735 Co\n0.452097 0.648707 0.137535 Co\n0.985864 0.624064 0.206571 As\n0.014094 0.375795 0.793498 As\n0.546305 0.744640 0.833686 As\n0.453473 0.255296 0.166192 As\n0.235821 0.924447 0.620718 As\n0.764196 0.075516 0.379177 As\n0.156377 0.712744 0.125667 O\n0.843180 0.287139 0.874193 O\n0.434135 0.801984 0.980993 O\n0.565783 0.198054 0.019003 O\n0.726192 0.600440 0.084219 O\n0.273805 0.399481 0.915739 O\n0.377402 0.125705 0.627821 O\n0.622390 0.874252 0.372054 O\n0.397688 0.777020 0.638794 O\n0.602211 0.222885 0.361089 O\n0.520637 0.518079 0.724948 O\n0.479123 0.481818 0.275018 O\n0.023873 0.436248 0.252460 O\n0.976745 0.563563 0.747491 O\n0.091289 0.920554 0.740857 O\n0.909168 0.079852 0.259544 O\n0.796793 0.890831 0.897271 O\n0.202894 0.109191 0.102846 O\n0.028980 0.798348 0.409908 O\n0.970804 0.201494 0.590123 O\n",
"nsites": 32,
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],
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