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{
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"results": [
{
"id": "mp-1193478",
"created_at": "2022-09-04T14:45:16.207292Z",
"structure_string": "Rb4 Mn4 Cl12 O8\n1.0\n7.050344 0.000000 0.000000\n0.000000 9.291690 0.000000\n0.000000 0.000000 11.134832\nRb Mn Cl O\n4 4 12 8\ndirect\n0.000000 0.750000 0.635987 Rb\n0.000000 0.250000 0.864013 Rb\n0.000000 0.250000 0.364013 Rb\n0.000000 0.750000 0.135987 Rb\n0.558695 0.500000 0.750000 Mn\n0.441305 0.000000 0.750000 Mn\n0.441305 0.500000 0.250000 Mn\n0.558695 0.000000 0.250000 Mn\n0.772413 0.578630 0.892802 Cl\n0.227587 0.921370 0.892802 Cl\n0.227587 0.078630 0.607198 Cl\n0.772413 0.421370 0.607198 Cl\n0.227587 0.421370 0.107198 Cl\n0.772413 0.078630 0.107198 Cl\n0.772413 0.921370 0.392802 Cl\n0.227587 0.578630 0.392802 Cl\n0.500000 0.750000 0.651993 Cl\n0.500000 0.250000 0.848007 Cl\n0.500000 0.250000 0.348007 Cl\n0.500000 0.750000 0.151993 Cl\n0.279180 0.529351 0.803217 O\n0.720820 0.970649 0.803217 O\n0.720820 0.029351 0.696783 O\n0.279180 0.470649 0.696783 O\n0.720820 0.470649 0.196783 O\n0.279180 0.029351 0.196783 O\n0.279180 0.970649 0.303217 O\n0.720820 0.529351 0.303217 O\n",
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"formula_full": "Rb4 Mn4 Cl12 O8",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 54
},
{
"id": "mp-1245641",
"created_at": "2022-09-04T14:45:16.208100Z",
"structure_string": "Mn1 Fe10 N8\n1.0\n7.832171 -0.228090 0.126531\n1.039889 3.678292 -0.000000\n1.796149 -0.507789 5.984730\nMn Fe N\n1 10 8\ndirect\n-0.000000 0.500000 0.500000 Mn\n0.466374 0.766814 0.844931 Fe\n0.533626 0.233186 0.155069 Fe\n0.021659 0.989170 0.780334 Fe\n0.978341 0.010830 0.219666 Fe\n0.653483 0.673259 0.416782 Fe\n0.346517 0.326741 0.583218 Fe\n0.803502 0.598249 0.974774 Fe\n0.196498 0.401751 0.025226 Fe\n0.713112 0.143444 0.653589 Fe\n0.286888 0.856556 0.346411 Fe\n0.230674 0.884663 0.054564 N\n0.769326 0.115337 0.945436 N\n0.389290 0.805354 0.591764 N\n0.610710 0.194646 0.408236 N\n0.729534 0.635234 0.694128 N\n0.270466 0.364766 0.305872 N\n0.079946 0.460027 0.779228 N\n0.920054 0.539973 0.220772 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"N"
],
"chemical_system": "Fe-Mn-N",
"density": 6.965928292435551,
"density_atomic": 0.10987047946449165,
"volume": 172.93089183378407,
"volume_molar": 5.481127223028327,
"formula_full": "Mn1 Fe10 N8",
"formula_reduced": "Mn(Fe5N4)2",
"formula_anonymous": "AB8C10",
"energy": -161.11333505000002,
"energy_per_atom": -8.479649213157895,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:58.306000Z",
"spacegroup": 12
},
{
"id": "mp-1028825",
"created_at": "2022-09-04T14:45:16.213937Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.697602 -2.940333 0.000000\n1.697602 2.940333 0.000000\n0.000000 0.000000 38.815394\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.706206 Te\n0.333333 0.666667 0.421292 Te\n0.333333 0.666667 0.517761 Te\n0.000000 0.000000 0.609151 Te\n0.000000 0.000000 0.469513 Mo\n0.000000 0.000000 0.093936 W\n0.333333 0.666667 0.281752 W\n0.333333 0.666667 0.657713 W\n0.000000 0.000000 0.324439 Se\n0.000000 0.000000 0.239088 Se\n0.333333 0.666667 0.055103 S\n0.333333 0.666667 0.132795 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.913348416215833,
"density_atomic": 0.030968120997179147,
"volume": 387.49525685116856,
"volume_molar": 19.44625817158409,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -85.65004135000001,
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"updated_at": "2021-11-28T01:36:59.799000Z",
"spacegroup": 156
},
{
"id": "mp-1021281",
"created_at": "2022-09-04T14:45:16.259546Z",
"structure_string": "Na2 Li2 Mg12\n1.0\n5.282849 0.000000 0.000000\n0.000000 6.390030 0.000000\n0.000000 0.000000 11.177664\nNa Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.166733 Na\n0.500000 0.000000 0.666733 Na\n0.500000 0.000000 0.166651 Li\n0.500000 0.500000 0.666651 Li\n0.500000 0.250153 0.416747 Mg\n0.500000 0.749847 0.416747 Mg\n0.000000 0.752647 0.082981 Mg\n0.000000 0.247353 0.082981 Mg\n0.000000 0.000000 0.332674 Mg\n0.000000 0.500000 0.334482 Mg\n0.500000 0.750153 0.916747 Mg\n0.500000 0.249847 0.916747 Mg\n0.000000 0.252647 0.582981 Mg\n0.000000 0.747353 0.582981 Mg\n0.000000 0.500000 0.832674 Mg\n0.000000 0.000000 0.834482 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Na",
"density": 1.5469593181278567,
"density_atomic": 0.04240312240389842,
"volume": 377.33070332879555,
"volume_molar": 14.202116303223798,
"formula_full": "Na2 Li2 Mg12",
"formula_reduced": "NaLiMg6",
"formula_anonymous": "ABC6",
"energy": -24.96765395,
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"updated_at": "2021-11-28T01:36:56.154000Z",
"spacegroup": 38
},
{
"id": "mp-1203004",
"created_at": "2022-09-04T14:45:16.215147Z",
"structure_string": "Li18 Mg6 P8 O32 F6\n1.0\n6.380519 -11.051382 0.000000\n6.380519 11.051382 0.000000\n0.000000 0.000000 5.069206\nLi Mg P O F\n18 6 8 32 6\ndirect\n0.168431 0.083426 0.847069 Li\n0.914995 0.831569 0.847069 Li\n0.916574 0.085005 0.847069 Li\n0.831569 0.916574 0.347069 Li\n0.085005 0.168431 0.347069 Li\n0.083426 0.914995 0.347069 Li\n0.395094 0.569657 0.800834 Li\n0.174563 0.604906 0.800834 Li\n0.430343 0.825437 0.800834 Li\n0.604906 0.430343 0.300834 Li\n0.825437 0.395094 0.300834 Li\n0.569657 0.174563 0.300834 Li\n0.334082 0.420472 0.270020 Li\n0.086389 0.665918 0.270020 Li\n0.579528 0.913611 0.270020 Li\n0.665918 0.579528 0.770020 Li\n0.913611 0.334082 0.770020 Li\n0.420472 0.086389 0.770020 Li\n0.425200 0.357808 0.768997 Mg\n0.932609 0.574800 0.768997 Mg\n0.642192 0.067391 0.768997 Mg\n0.574800 0.642192 0.268997 Mg\n0.067391 0.425200 0.268997 Mg\n0.357808 0.932609 0.268997 Mg\n0.153232 0.319289 0.754200 P\n0.166056 0.846768 0.754200 P\n0.680711 0.833944 0.754200 P\n0.846768 0.680711 0.254200 P\n0.833944 0.153232 0.254200 P\n0.319289 0.166056 0.254200 P\n0.333333 0.666667 0.295125 P\n0.666667 0.333333 0.795125 P\n0.202425 0.598188 0.185660 O\n0.395763 0.797575 0.185660 O\n0.401812 0.604237 0.185660 O\n0.797575 0.401812 0.685660 O\n0.604237 0.202425 0.685660 O\n0.598188 0.395763 0.685660 O\n0.091491 0.177871 0.752518 O\n0.086380 0.908509 0.752518 O\n0.822129 0.913620 0.752518 O\n0.908509 0.822129 0.252518 O\n0.913620 0.091491 0.252518 O\n0.177871 0.086380 0.252518 O\n0.280976 0.378675 0.881612 O\n0.097699 0.719024 0.881612 O\n0.621325 0.902301 0.881612 O\n0.719024 0.621325 0.381612 O\n0.902301 0.280976 0.381612 O\n0.378675 0.097699 0.381612 O\n0.073766 0.358065 0.905968 O\n0.284299 0.926234 0.905968 O\n0.641935 0.715701 0.905968 O\n0.926234 0.641935 0.405968 O\n0.715701 0.073766 0.405968 O\n0.358065 0.284299 0.405968 O\n0.166372 0.359607 0.457877 O\n0.193235 0.833628 0.457877 O\n0.640393 0.806765 0.457877 O\n0.833628 0.640393 0.957877 O\n0.806765 0.166372 0.957877 O\n0.359607 0.193235 0.957877 O\n0.333333 0.666667 0.603785 O\n0.666667 0.333333 0.103785 O\n0.483469 0.522848 0.573943 F\n0.039378 0.516531 0.573943 F\n0.477152 0.960622 0.573943 F\n0.516531 0.477152 0.073943 F\n0.960622 0.483469 0.073943 F\n0.522848 0.039378 0.073943 F\n",
"nsites": 70,
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"elements": [
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"Mg",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mg-O-P",
"density": 2.658480537775224,
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"volume": 714.8954501465064,
"volume_molar": 6.1502871849511775,
"formula_full": "Li18 Mg6 P8 O32 F6",
"formula_reduced": "Li9Mg3P4O16F3",
"formula_anonymous": "A3B3C4D9E16",
"energy": -463.11254423,
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"updated_at": "2021-11-28T01:36:55.308000Z",
"spacegroup": 173
},
{
"id": "mp-1177934",
"created_at": "2022-09-04T14:45:16.222019Z",
"structure_string": "Li6 V16 O32\n1.0\n-8.492426 0.000000 0.000000\n-0.093370 -8.520721 0.000000\n4.231033 4.166925 8.396849\nLi V O\n6 16 32\ndirect\n0.400066 0.139077 0.759718 Li\n0.876147 0.125677 0.239009 Li\n0.683680 0.432587 0.616837 Li\n0.304478 0.556828 0.372349 Li\n0.060145 0.808586 0.875537 Li\n0.438978 0.688030 0.123390 Li\n0.244504 0.250852 0.996710 V\n0.501529 0.992369 0.495749 V\n0.864036 0.127538 0.753094 V\n0.260241 0.252850 0.501748 V\n0.110021 0.369234 0.737337 V\n0.367117 0.119592 0.244806 V\n0.992276 0.496466 0.992284 V\n0.618576 0.371388 0.233132 V\n0.744649 0.739387 0.997113 V\n0.993846 0.504215 0.496238 V\n0.371445 0.621588 0.747243 V\n0.743252 0.744974 0.498632 V\n0.629999 0.866249 0.750009 V\n0.875163 0.627129 0.252125 V\n0.493655 0.992354 0.000754 V\n0.129412 0.869472 0.259311 V\n0.624464 0.092787 0.738104 O\n0.005508 0.275586 0.990344 O\n0.284510 0.018857 0.506808 O\n0.115163 0.154917 0.769981 O\n0.135810 0.117725 0.280399 O\n0.223440 0.479757 0.976520 O\n0.480244 0.230742 0.483933 O\n0.890173 0.373496 0.758342 O\n0.603506 0.122509 0.218434 O\n0.261741 0.015818 0.004278 O\n0.015241 0.279166 0.513184 O\n0.339437 0.364164 0.725504 O\n0.238422 0.488602 0.508606 O\n0.127928 0.602377 0.736075 O\n0.474119 0.227746 0.995999 O\n0.366748 0.349736 0.222500 O\n0.752413 0.498610 0.478724 O\n0.615501 0.637099 0.759283 O\n0.869612 0.394266 0.263894 O\n0.503225 0.751458 0.986216 O\n0.977971 0.717870 0.484996 O\n0.413470 0.880064 0.773109 O\n0.649861 0.619920 0.254461 O\n0.735337 0.961333 0.994978 O\n0.769273 0.525449 0.012981 O\n0.511298 0.765529 0.512401 O\n0.846462 0.873222 0.743618 O\n0.096702 0.623089 0.236737 O\n0.881697 0.847980 0.233963 O\n0.730941 0.992034 0.516895 O\n0.990132 0.728823 0.008269 O\n0.365891 0.890075 0.259892 O\n",
"nsites": 54,
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"formula_full": "Li6 V16 O32",
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"energy": -448.0022609,
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"updated_at": "2021-11-28T01:36:58.760000Z",
"spacegroup": 1
},
{
"id": "mp-984598",
"created_at": "2022-09-04T14:45:16.244741Z",
"structure_string": "Au2 S2\n1.0\n1.966558 -3.406179 0.000000\n1.966558 3.406179 0.000000\n0.000000 0.000000 6.818175\nAu S\n2 2\ndirect\n0.666667 0.333333 0.510314 Au\n0.333333 0.666667 0.010314 Au\n0.666667 0.333333 0.864685 S\n0.333333 0.666667 0.364685 S\n",
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"volume": 91.3423890468196,
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"formula_full": "Au2 S2",
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{
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{
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}