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{
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"results": [
{
"id": "mp-1247140",
"created_at": "2022-09-04T14:48:12.394476Z",
"structure_string": "Sr10 Ru4 N12\n1.0\n6.285583 -0.131971 -0.089651\n-3.662312 5.845500 0.000000\n-2.266638 -1.420089 13.021510\nSr Ru N\n10 4 12\ndirect\n0.126802 0.802108 0.998625 Sr\n0.873198 0.675305 0.501375 Sr\n0.873198 0.197892 0.001375 Sr\n0.126802 0.324695 0.498625 Sr\n0.317767 0.058787 0.717735 Sr\n0.682233 0.741021 0.782265 Sr\n0.682233 0.941213 0.282265 Sr\n0.317767 0.258979 0.217735 Sr\n0.000000 0.383302 0.750000 Sr\n0.000000 0.616698 0.250000 Sr\n0.537921 0.869363 0.558374 Ru\n0.462079 0.331442 0.941626 Ru\n0.462079 0.130637 0.441626 Ru\n0.537921 0.668558 0.058374 Ru\n0.889333 0.992198 0.623980 N\n0.110667 0.102866 0.876020 N\n0.110667 0.007802 0.376020 N\n0.889333 0.897134 0.123980 N\n0.295001 0.690879 0.642418 N\n0.704999 0.395878 0.857582 N\n0.704999 0.309121 0.357582 N\n0.295001 0.604122 0.142418 N\n0.583528 0.254842 0.579391 N\n0.416472 0.671314 0.920609 N\n0.416472 0.745158 0.420609 N\n0.583528 0.328686 0.079391 N\n",
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{
"id": "mp-776208",
"created_at": "2022-09-04T14:48:06.454546Z",
"structure_string": "Mn3 Nb1 Fe2 P6 O24\n1.0\n7.454691 -4.371984 0.000000\n7.454691 4.371984 0.000000\n4.890635 0.000000 7.125192\nMn Nb Fe P O\n3 1 2 6 24\ndirect\n0.145618 0.145618 0.145618 Mn\n0.356646 0.356646 0.356646 Mn\n0.643433 0.643433 0.643433 Mn\n0.857495 0.857495 0.857495 Nb\n0.005425 0.005425 0.005425 Fe\n0.500413 0.500413 0.500413 Fe\n0.450630 0.748302 0.045224 P\n0.539608 0.256166 0.955662 P\n0.955662 0.539608 0.256166 P\n0.256166 0.955662 0.539608 P\n0.748302 0.045224 0.450630 P\n0.045224 0.450630 0.748302 P\n0.312630 0.110030 0.512073 O\n0.512073 0.312630 0.110030 O\n0.911793 0.059064 0.260277 O\n0.110030 0.512073 0.312630 O\n0.817338 0.991270 0.615256 O\n0.593767 0.238284 0.447671 O\n0.059064 0.260277 0.911793 O\n0.238284 0.447671 0.593767 O\n0.387543 0.190831 0.988874 O\n0.447671 0.593767 0.238284 O\n0.738519 0.090557 0.935608 O\n0.988874 0.387543 0.190831 O\n0.991270 0.615256 0.817338 O\n0.260277 0.911793 0.059064 O\n0.559843 0.410823 0.758409 O\n0.615256 0.817338 0.991270 O\n0.758409 0.559843 0.410823 O\n0.935608 0.738519 0.090557 O\n0.410823 0.758409 0.559843 O\n0.190831 0.988874 0.387543 O\n0.888222 0.488538 0.688154 O\n0.090557 0.935608 0.738519 O\n0.488538 0.688154 0.888222 O\n0.688154 0.888222 0.488538 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Fe-Mn-Nb-O-P",
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"density_atomic": 0.07751178229349437,
"volume": 464.4455195687264,
"volume_molar": 7.769323039428346,
"formula_full": "Mn3 Nb1 Fe2 P6 O24",
"formula_reduced": "Mn3NbFe2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -294.49190914,
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"spacegroup": 146
},
{
"id": "mp-752901",
"created_at": "2022-09-04T14:48:07.362036Z",
"structure_string": "Li6 V4 F16\n1.0\n5.443925 0.000000 0.000000\n0.000000 6.124028 0.000000\n0.000000 0.700362 9.468723\nLi V F\n6 4 16\ndirect\n0.520778 0.875068 0.723617 Li\n0.979222 0.875068 0.223617 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.020778 0.124932 0.776383 Li\n0.479222 0.124932 0.276383 Li\n0.010693 0.626319 0.627796 V\n0.489307 0.626319 0.127796 V\n0.510693 0.373681 0.872204 V\n0.989307 0.373681 0.372204 V\n0.862402 0.899312 0.690896 F\n0.637598 0.899312 0.190896 F\n0.338718 0.760874 0.575364 F\n0.652708 0.666068 0.931745 F\n0.161282 0.760874 0.075364 F\n0.847292 0.666068 0.431745 F\n0.181079 0.542514 0.816857 F\n0.318921 0.542514 0.316857 F\n0.681079 0.457486 0.683143 F\n0.818921 0.457486 0.183143 F\n0.152708 0.333932 0.568255 F\n0.838718 0.239126 0.924636 F\n0.347292 0.333932 0.068255 F\n0.661282 0.239126 0.424636 F\n0.362402 0.100688 0.809104 F\n0.137598 0.100688 0.309104 F\n",
"nsites": 26,
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"elements": [
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"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.8899233856006457,
"density_atomic": 0.08236309066674075,
"volume": 315.67538067751417,
"volume_molar": 7.3116983727175935,
"formula_full": "Li6 V4 F16",
"formula_reduced": "Li3V2F8",
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"spacegroup": 14
},
{
"id": "mp-1094553",
"created_at": "2022-09-04T14:48:10.902476Z",
"structure_string": "Mg4 Sb2\n1.0\n1.828184 5.873492 0.000000\n-1.828184 5.873492 0.000000\n0.000000 3.027267 6.870753\nMg Sb\n4 2\ndirect\n0.134509 0.134509 0.962648 Mg\n0.551557 0.551557 0.676899 Mg\n0.448443 0.448443 0.323101 Mg\n0.865491 0.865491 0.037352 Mg\n0.823087 0.823087 0.679319 Sb\n0.176913 0.176913 0.320681 Sb\n",
"nsites": 6,
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"elements": [
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"density": 3.8346135221878734,
"density_atomic": 0.04066311392638679,
"volume": 147.5538742768671,
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"formula_full": "Mg4 Sb2",
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"formula_anonymous": "AB2",
"energy": -15.95751163,
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"updated_at": "2021-11-28T01:38:27.077000Z",
"spacegroup": 12
},
{
"id": "mp-1197500",
"created_at": "2022-09-04T14:48:06.174957Z",
"structure_string": "Ba6 Li4 B20 H12 O44\n1.0\n3.709794 5.759239 0.000000\n-3.709794 5.759239 0.000000\n0.000000 5.138305 20.486837\nBa Li B H O\n6 4 20 12 44\ndirect\n0.862887 0.923977 0.095755 Ba\n0.076023 0.137113 0.404245 Ba\n0.137113 0.076023 0.904245 Ba\n0.923977 0.862887 0.595755 Ba\n0.747931 0.252069 0.250000 Ba\n0.252069 0.747931 0.750000 Ba\n0.272946 0.185482 0.039327 Li\n0.814518 0.727054 0.460673 Li\n0.727054 0.814518 0.960673 Li\n0.185482 0.272946 0.539327 Li\n0.386189 0.414182 0.132397 B\n0.585818 0.613811 0.367603 B\n0.613811 0.585818 0.867603 B\n0.414182 0.386189 0.632397 B\n0.179062 0.402202 0.246931 B\n0.597798 0.820938 0.253069 B\n0.820938 0.597798 0.753069 B\n0.402202 0.179062 0.746931 B\n0.753661 0.459225 0.089974 B\n0.540775 0.246339 0.410026 B\n0.246339 0.540775 0.910026 B\n0.459225 0.753661 0.589974 B\n0.401558 0.733001 0.049795 B\n0.266999 0.598442 0.450205 B\n0.598442 0.266999 0.950205 B\n0.733001 0.401558 0.549795 B\n0.291794 0.087530 0.184085 B\n0.912470 0.708206 0.315915 B\n0.708206 0.912470 0.815915 B\n0.087530 0.291794 0.684085 B\n0.868936 0.377470 0.000711 H\n0.622530 0.131064 0.499289 H\n0.131064 0.622530 0.999289 H\n0.377470 0.868936 0.500711 H\n0.023692 0.412964 0.129168 H\n0.587036 0.976308 0.370832 H\n0.976308 0.587036 0.870832 H\n0.412964 0.023692 0.629168 H\n0.221761 0.822203 0.186697 H\n0.177797 0.778239 0.313303 H\n0.778239 0.177797 0.813303 H\n0.822203 0.221761 0.686697 H\n0.623117 0.335342 0.126256 O\n0.664658 0.376883 0.373744 O\n0.376883 0.664658 0.873744 O\n0.335342 0.623117 0.626256 O\n0.308565 0.246934 0.126837 O\n0.753066 0.691435 0.373163 O\n0.691435 0.753066 0.873163 O\n0.246934 0.308565 0.626837 O\n0.622989 0.666984 0.053887 O\n0.333016 0.377011 0.446113 O\n0.377011 0.333016 0.946113 O\n0.666984 0.622989 0.553887 O\n0.174996 0.204647 0.242667 O\n0.795353 0.825004 0.257333 O\n0.825004 0.795353 0.757333 O\n0.204647 0.174996 0.742667 O\n0.295021 0.597953 0.082256 O\n0.402047 0.704979 0.417744 O\n0.704979 0.402047 0.917744 O\n0.597953 0.295021 0.582256 O\n0.928128 0.327009 0.042063 O\n0.672991 0.071872 0.457937 O\n0.071872 0.672991 0.957937 O\n0.327009 0.928128 0.542063 O\n0.865091 0.499743 0.136582 O\n0.500257 0.134909 0.363418 O\n0.134909 0.500257 0.863418 O\n0.499743 0.865091 0.636582 O\n0.063387 0.488214 0.302932 O\n0.511786 0.936613 0.197068 O\n0.936613 0.511786 0.697068 O\n0.488214 0.063387 0.802932 O\n0.160090 0.977967 0.171508 O\n0.022033 0.839910 0.328492 O\n0.839910 0.022033 0.828492 O\n0.977967 0.160090 0.671508 O\n0.292335 0.920600 0.014744 O\n0.079400 0.707665 0.485256 O\n0.707665 0.079400 0.985256 O\n0.920600 0.292335 0.514744 O\n0.295931 0.495130 0.199401 O\n0.504870 0.704069 0.300599 O\n0.704069 0.504870 0.800599 O\n0.495130 0.295931 0.699401 O\n",
"nsites": 86,
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"density": 3.3839798328774116,
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"volume": 875.4267312275167,
"volume_molar": 6.130166279673015,
"formula_full": "Ba6 Li4 B20 H12 O44",
"formula_reduced": "Ba3Li2B10(H3O11)2",
"formula_anonymous": "A2B3C6D10E22",
"energy": -638.11952371,
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"spacegroup": 15
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{
"id": "mp-777289",
"created_at": "2022-09-04T14:48:00.448998Z",
"structure_string": "Li3 V6 O9 F9\n1.0\n5.086415 0.000000 0.000000\n2.450468 4.509407 0.000000\n0.308246 0.358171 13.576003\nLi V O F\n3 6 9 9\ndirect\n0.654222 0.671957 0.462973 Li\n0.376814 0.325668 0.125995 Li\n0.019000 0.978205 0.795418 Li\n0.947666 0.996785 0.501080 V\n0.708365 0.681461 0.166485 V\n0.643076 0.697888 0.679109 V\n0.351467 0.312901 0.832640 V\n0.053766 0.963528 0.010930 V\n0.307924 0.325263 0.344247 V\n0.911321 0.736896 0.576211 O\n0.998892 0.583778 0.246195 O\n0.729563 0.963039 0.083413 O\n0.627007 0.979931 0.748545 O\n0.382665 0.597131 0.751566 O\n0.666538 0.056101 0.409321 O\n0.352187 0.718163 0.078819 O\n0.247286 0.091984 0.908082 O\n0.053334 0.283458 0.418979 O\n0.988136 0.333258 0.080516 F\n0.702303 0.352053 0.577222 F\n0.690725 0.248441 0.912161 F\n0.327957 0.924077 0.580510 F\n0.573628 0.408784 0.242395 F\n0.283810 0.670024 0.415575 F\n0.065912 0.679135 0.912638 F\n0.396001 0.011058 0.245036 F\n0.993116 0.363877 0.743750 F\n",
"nsites": 27,
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],
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"volume": 311.38891716071254,
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"formula_full": "Li3 V6 O9 F9",
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"updated_at": "2021-11-28T01:38:27.079000Z",
"spacegroup": 1
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{
"id": "mp-3896",
"created_at": "2022-09-04T14:47:59.473019Z",
"structure_string": "Y2 Si4 Ir4\n1.0\n4.140009 0.000000 0.000000\n0.000000 4.140009 0.000000\n0.000000 0.000000 9.855940\nY Si Ir\n2 4 4\ndirect\n0.500000 0.000000 0.255157 Y\n0.000000 0.500000 0.744843 Y\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.131045 Si\n0.500000 0.000000 0.868955 Si\n0.000000 0.500000 0.371795 Ir\n0.500000 0.000000 0.628205 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 10,
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"formula_full": "Y2 Si4 Ir4",
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{
"id": "mp-1170",
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"structure_string": "Sn1 S2\n1.0\n1.849960 -3.204225 0.000000\n1.849960 3.204225 0.000000\n0.000000 0.000000 6.977959\nSn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.211787 S\n0.666667 0.333333 0.788213 S\n",
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{
"id": "mp-29740",
"created_at": "2022-09-04T14:48:08.260923Z",
"structure_string": "Tl2 Zn4 Sb4\n1.0\n-4.262159 4.262159 3.744571\n4.262159 -4.262159 3.744571\n4.262159 4.262159 -3.744571\nTl Zn Sb\n2 4 4\ndirect\n0.247485 0.247485 0.000000 Tl\n0.747485 0.747485 0.000000 Tl\n0.506749 0.723877 0.500000 Zn\n0.723877 0.223877 0.217129 Zn\n0.223877 0.006749 0.500000 Zn\n0.006749 0.506749 0.782871 Zn\n0.855997 0.663049 0.500000 Sb\n0.355997 0.855997 0.192948 Sb\n0.663049 0.163049 0.807052 Sb\n0.163049 0.355997 0.500000 Sb\n",
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