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{
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"results": [
{
"id": "mp-26541",
"created_at": "2022-09-04T14:40:37.085487Z",
"structure_string": "Li4 Sb4 P16 O48\n1.0\n5.213216 -5.977938 0.000000\n5.213216 5.977938 0.000000\n0.000000 0.000000 17.413703\nLi Sb P O\n4 4 16 48\ndirect\n0.105480 0.178191 0.356423 Li\n0.821809 0.894520 0.143577 Li\n0.894520 0.821809 0.856423 Li\n0.178191 0.105480 0.643577 Li\n0.015417 0.433463 0.635167 Sb\n0.566537 0.984583 0.864833 Sb\n0.433463 0.015417 0.364833 Sb\n0.984583 0.566537 0.135167 Sb\n0.036264 0.743571 0.343258 P\n0.256429 0.963736 0.156742 P\n0.218062 0.684706 0.488190 P\n0.315294 0.781938 0.011810 P\n0.361295 0.638705 0.750000 P\n0.679906 0.713387 0.310257 P\n0.286613 0.320094 0.189743 P\n0.347949 0.347949 0.500000 P\n0.652051 0.652051 0.000000 P\n0.320094 0.286613 0.810257 P\n0.713387 0.679906 0.689743 P\n0.638705 0.361295 0.250000 P\n0.684706 0.218062 0.511810 P\n0.781938 0.315294 0.988190 P\n0.743571 0.036264 0.656742 P\n0.963736 0.256429 0.843258 P\n0.102787 0.929852 0.352122 O\n0.070148 0.897213 0.147878 O\n0.058535 0.646280 0.271657 O\n0.353720 0.941465 0.228343 O\n0.140541 0.683807 0.017011 O\n0.316193 0.859459 0.482989 O\n0.354709 0.899229 0.943233 O\n0.100771 0.645291 0.556767 O\n0.364629 0.891610 0.087956 O\n0.108390 0.635371 0.412044 O\n0.195347 0.610357 0.707178 O\n0.389643 0.804653 0.792822 O\n0.214030 0.459649 0.146011 O\n0.540351 0.785970 0.353989 O\n0.351218 0.547952 0.484938 O\n0.452048 0.648782 0.015062 O\n0.510104 0.618254 0.689596 O\n0.381746 0.489896 0.810404 O\n0.163080 0.274661 0.868706 O\n0.725339 0.836920 0.631294 O\n0.729075 0.781185 0.232871 O\n0.218815 0.270925 0.267129 O\n0.704530 0.751529 0.928106 O\n0.248471 0.295470 0.571894 O\n0.295470 0.248471 0.428106 O\n0.751529 0.704530 0.071894 O\n0.270925 0.218815 0.732871 O\n0.781185 0.729075 0.767129 O\n0.836920 0.725339 0.368706 O\n0.274661 0.163080 0.131294 O\n0.489896 0.381746 0.189596 O\n0.618254 0.510104 0.310404 O\n0.547952 0.351218 0.515062 O\n0.648782 0.452048 0.984938 O\n0.459649 0.214030 0.853989 O\n0.785970 0.540351 0.646011 O\n0.804653 0.389643 0.207178 O\n0.610357 0.195347 0.292822 O\n0.635371 0.108390 0.587956 O\n0.891610 0.364629 0.912044 O\n0.645291 0.100771 0.443233 O\n0.899229 0.354709 0.056767 O\n0.683807 0.140541 0.982989 O\n0.859459 0.316193 0.517011 O\n0.646280 0.058535 0.728343 O\n0.941465 0.353720 0.771657 O\n0.897213 0.070148 0.852122 O\n0.929852 0.102787 0.647878 O\n",
"nsites": 72,
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"elements": [
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"O"
],
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"density_atomic": 0.06633675782139155,
"volume": 1085.3711029088345,
"volume_molar": 9.078135497990898,
"formula_full": "Li4 Sb4 P16 O48",
"formula_reduced": "LiSb(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -527.5047082,
"energy_per_atom": -7.326454280555556,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:04.181000Z",
"spacegroup": 20
},
{
"id": "mp-1235134",
"created_at": "2022-09-04T14:40:37.122855Z",
"structure_string": "Cs7 Li1 Au5 O2\n1.0\n6.143256 0.000000 -1.867185\n-1.428998 8.861208 -4.701569\n-0.146181 -0.214480 10.558654\nCs Li Au O\n7 1 5 2\ndirect\n0.830503 0.615736 0.664336 Cs\n0.496611 0.815202 0.000000 Cs\n0.830503 0.048601 0.664336 Cs\n0.166166 0.384264 0.335664 Cs\n0.166166 0.951399 0.335664 Cs\n0.496611 0.184798 0.000000 Cs\n0.039040 0.500000 0.000000 Cs\n0.548334 0.500000 0.000000 Li\n0.643866 0.639876 0.279753 Au\n0.311632 0.810700 0.621399 Au\n0.998053 0.000000 0.000000 Au\n0.364113 0.360124 0.720247 Au\n0.690231 0.189300 0.378601 Au\n0.000751 0.797129 0.000000 O\n0.000751 0.202871 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Au",
"O"
],
"chemical_system": "Au-Cs-Li-O",
"density": 5.737132144099522,
"density_atomic": 0.026520873736288732,
"volume": 565.5922255485639,
"volume_molar": 22.707173300100795,
"formula_full": "Cs7 Li1 Au5 O2",
"formula_reduced": "Cs7LiAu5O2",
"formula_anonymous": "AB2C5D7",
"energy": -43.21288513,
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"updated_at": "2021-11-28T01:34:59.513000Z",
"spacegroup": 44
},
{
"id": "mp-1214039",
"created_at": "2022-09-04T14:40:40.399924Z",
"structure_string": "Ca3 Pr2 Sb3 O14\n1.0\n3.808093 6.522252 0.000000\n-3.808093 6.522252 0.000000\n0.000000 4.254629 6.183044\nCa Pr Sb O\n3 2 3 14\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.686718 0.686718 0.088377 O\n0.313282 0.313282 0.911623 O\n0.377048 0.377048 0.378584 O\n0.622952 0.622952 0.621416 O\n0.316136 0.911469 0.317114 O\n0.683864 0.088531 0.682886 O\n0.088531 0.683864 0.682886 O\n0.911469 0.316136 0.317114 O\n0.629990 0.093928 0.095979 O\n0.370010 0.906072 0.904021 O\n0.906072 0.370010 0.904021 O\n0.093928 0.629990 0.095979 O\n0.904242 0.904242 0.369822 O\n0.095758 0.095758 0.630178 O\n",
"nsites": 22,
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"elements": [
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"O"
],
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"density": 5.359520131864486,
"density_atomic": 0.07162839624671498,
"volume": 307.1407591512139,
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"formula_full": "Ca3 Pr2 Sb3 O14",
"formula_reduced": "Ca3Pr2Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -158.92761263,
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"updated_at": "2021-11-28T01:35:03.320000Z",
"spacegroup": 12
},
{
"id": "mp-1196048",
"created_at": "2022-09-04T14:40:41.565907Z",
"structure_string": "Ce2 H16 S4 O24\n1.0\n5.847789 0.000000 0.000000\n2.923895 6.094502 0.000000\n2.923895 0.000000 13.534016\nCe H S O\n2 16 4 24\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.500000 0.500000 Ce\n0.736887 0.744919 0.139298 H\n0.621103 0.255081 0.860702 H\n0.518195 0.744919 0.860702 H\n0.123815 0.255081 0.139298 H\n0.013113 0.755081 0.360702 H\n0.128897 0.244919 0.639298 H\n0.231805 0.755081 0.639298 H\n0.626185 0.244919 0.360702 H\n0.669418 0.952871 0.203666 H\n0.825955 0.047129 0.796334 H\n0.377711 0.952871 0.796334 H\n0.126917 0.047129 0.203666 H\n0.080582 0.547129 0.296334 H\n0.924045 0.452871 0.703666 H\n0.372289 0.547129 0.703666 H\n0.623083 0.452871 0.296334 H\n0.057687 0.500000 0.884626 S\n0.442313 0.500000 0.115374 S\n0.692313 0.000000 0.615374 S\n0.307687 0.000000 0.384626 S\n0.084521 0.305265 0.950662 O\n0.340448 0.694735 0.049338 O\n0.610214 0.305265 0.049338 O\n0.964817 0.694735 0.950662 O\n0.665479 0.194735 0.549338 O\n0.409552 0.805265 0.450662 O\n0.139786 0.194735 0.450662 O\n0.785183 0.805265 0.549338 O\n0.314528 0.456567 0.823773 O\n0.594868 0.543433 0.176227 O\n0.228905 0.456567 0.176227 O\n0.861699 0.543433 0.823773 O\n0.435472 0.043433 0.676227 O\n0.155132 0.956567 0.323773 O\n0.521095 0.043433 0.323773 O\n0.888301 0.956567 0.676227 O\n0.766108 0.878374 0.139174 O\n0.783657 0.121626 0.860826 O\n0.355518 0.878374 0.860826 O\n0.094718 0.121626 0.139174 O\n0.983892 0.621626 0.360826 O\n0.966343 0.378374 0.639174 O\n0.394482 0.621626 0.639174 O\n0.655282 0.378374 0.360826 O\n",
"nsites": 46,
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"elements": [
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"H",
"S",
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],
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"density": 2.783740340685416,
"density_atomic": 0.09536768229870618,
"volume": 482.3436922365478,
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"formula_full": "Ce2 H16 S4 O24",
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"formula_anonymous": "AB2C8D12",
"energy": -285.5161787,
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"spacegroup": 70
},
{
"id": "mp-1176229",
"created_at": "2022-09-04T14:40:29.493080Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.017442 0.000000 0.000000\n-1.585118 4.844669 0.000000\n-0.373477 -0.359324 11.861531\nLi Mn Co O\n9 2 5 16\ndirect\n0.999598 0.502721 0.130932 Li\n0.496858 0.495712 0.251679 Li\n0.002641 0.499406 0.368246 Li\n0.502981 0.504783 0.497393 Li\n0.000780 0.498587 0.624913 Li\n0.502300 0.500169 0.750340 Li\n0.997660 0.498894 0.875056 Li\n0.491948 0.495851 0.003049 Li\n0.003677 0.004619 0.247538 Li\n0.995614 0.994017 0.002356 Mn\n0.499986 0.003275 0.626057 Mn\n0.503976 0.000807 0.130831 Co\n0.510186 0.009204 0.367537 Co\n0.007553 0.003268 0.496364 Co\n0.998495 0.997413 0.750114 Co\n0.494297 0.991531 0.877031 Co\n0.231429 0.764354 0.004975 O\n0.756630 0.779203 0.111641 O\n0.284428 0.771363 0.253663 O\n0.730106 0.781572 0.378571 O\n0.244088 0.768697 0.508062 O\n0.755589 0.774746 0.629336 O\n0.257361 0.762711 0.763131 O\n0.751261 0.774632 0.877235 O\n0.734977 0.250122 0.246640 O\n0.273252 0.219319 0.379202 O\n0.762767 0.233445 0.489454 O\n0.250739 0.231214 0.628344 O\n0.743589 0.236313 0.744425 O\n0.229853 0.208457 0.879885 O\n0.741476 0.216220 0.991927 O\n0.243905 0.227375 0.114069 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 4.163907328718944,
"density_atomic": 0.1109846096538426,
"volume": 288.3282655118305,
"volume_molar": 5.4261043749965525,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.36173186,
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},
{
"id": "mp-1181469",
"created_at": "2022-09-04T14:40:37.098988Z",
"structure_string": "Hg4 C8 Br16 N8\n1.0\n17.418913 0.000000 0.000000\n0.000000 10.075755 0.000000\n0.000000 1.070401 10.280316\nHg C Br N\n4 8 16 8\ndirect\n0.493068 0.376010 0.667067 Hg\n0.993068 0.123990 0.332933 Hg\n0.506932 0.623990 0.332933 Hg\n0.006932 0.876010 0.667067 Hg\n0.385520 0.764985 0.738970 C\n0.885520 0.735015 0.261030 C\n0.614480 0.235015 0.261030 C\n0.114480 0.264985 0.738970 C\n0.146573 0.636981 0.163166 C\n0.646573 0.863019 0.836834 C\n0.853427 0.363019 0.836834 C\n0.353427 0.136981 0.163166 C\n0.348408 0.928772 0.695912 Br\n0.848408 0.571228 0.304088 Br\n0.651592 0.071228 0.304088 Br\n0.151592 0.428772 0.695912 Br\n0.368642 0.275759 0.043094 Br\n0.868642 0.224241 0.956906 Br\n0.631358 0.724241 0.956906 Br\n0.131358 0.775759 0.043094 Br\n0.380381 0.370164 0.527802 Br\n0.880381 0.129836 0.472198 Br\n0.619619 0.629836 0.472198 Br\n0.119619 0.870164 0.527802 Br\n0.605513 0.336380 0.802908 Br\n0.105513 0.163620 0.197092 Br\n0.394487 0.663620 0.197092 Br\n0.894487 0.836380 0.802908 Br\n0.409760 0.657666 0.767558 N\n0.909760 0.842334 0.232442 N\n0.590240 0.342334 0.232442 N\n0.090240 0.157666 0.767558 N\n0.156434 0.547582 0.243121 N\n0.656434 0.952418 0.756879 N\n0.843566 0.452418 0.756879 N\n0.343566 0.047582 0.243121 N\n",
"nsites": 36,
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"C",
"Br",
"N"
],
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"density": 2.1066034680989603,
"density_atomic": 0.01995250313032938,
"volume": 1804.2848942234803,
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"formula_full": "Hg4 C8 Br16 N8",
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"spacegroup": 14
},
{
"id": "mp-807564",
"created_at": "2022-09-04T14:40:41.586194Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.282218 0.000000 0.000000\n-2.114963 -4.922086 0.000000\n0.912828 2.465225 -7.374653\nLi Fe O F\n8 2 6 2\ndirect\n0.760618 0.127887 0.921569 Li\n0.256662 0.576928 0.916903 Li\n0.216405 0.461110 0.714878 Li\n0.746699 0.753914 0.504250 Li\n0.237709 0.262727 0.500352 Li\n0.784884 0.534160 0.279153 Li\n0.743738 0.434990 0.081746 Li\n0.260331 0.877694 0.051862 Li\n0.780845 0.856903 0.737993 Fe\n0.235015 0.117178 0.288997 Fe\n0.970969 0.946942 0.878806 O\n0.506835 0.407678 0.896611 O\n0.002060 0.727316 0.697617 O\n0.342817 0.676835 0.491925 O\n0.998063 0.271672 0.306572 O\n0.488761 0.577188 0.110310 O\n0.657468 0.331903 0.499088 F\n0.010121 0.056978 0.121366 F\n",
"nsites": 18,
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"elements": [
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"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6086337835771376,
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"volume": 191.73752125491694,
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"formula_full": "Li8 Fe2 O6 F2",
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{
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