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"results": [
{
"id": "mp-1220746",
"created_at": "2022-09-04T14:44:19.799788Z",
"structure_string": "Nb4 Ni6 Ge2\n1.0\n2.456955 -4.255572 0.000000\n2.456955 4.255572 0.000000\n0.000000 0.000000 7.801192\nNb Ni Ge\n4 6 2\ndirect\n0.333333 0.666667 0.439062 Nb\n0.666667 0.333333 0.560938 Nb\n0.666667 0.333333 0.939062 Nb\n0.333333 0.666667 0.060938 Nb\n0.829021 0.170979 0.250000 Ni\n0.829021 0.658042 0.250000 Ni\n0.341958 0.170979 0.250000 Ni\n0.170979 0.829021 0.750000 Ni\n0.170979 0.341958 0.750000 Ni\n0.658042 0.829021 0.750000 Ni\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "mp-759988",
"created_at": "2022-09-04T14:44:18.681060Z",
"structure_string": "Li6 Mn2 Fe6 O16\n1.0\n2.940920 -5.093822 0.000000\n2.940920 5.093822 0.000000\n0.000000 0.000000 9.572662\nLi Mn Fe O\n6 2 6 16\ndirect\n0.173182 0.826818 0.057021 Li\n0.653635 0.826818 0.057021 Li\n0.173182 0.346365 0.057021 Li\n0.826818 0.653635 0.557021 Li\n0.346365 0.173182 0.557021 Li\n0.826818 0.173182 0.557021 Li\n0.333333 0.666667 0.513918 Mn\n0.666667 0.333333 0.013918 Mn\n0.168159 0.831841 0.788743 Fe\n0.663683 0.831841 0.788743 Fe\n0.168159 0.336317 0.788743 Fe\n0.831841 0.663683 0.288743 Fe\n0.336317 0.168159 0.288743 Fe\n0.831841 0.168159 0.288743 Fe\n0.168664 0.831336 0.406856 O\n0.479120 0.958239 0.648890 O\n0.041761 0.520880 0.648890 O\n0.333333 0.666667 0.904473 O\n0.662673 0.831336 0.406856 O\n0.479120 0.520880 0.648890 O\n0.168664 0.337327 0.406856 O\n0.831336 0.662673 0.906856 O\n0.520880 0.479120 0.148890 O\n0.958239 0.479120 0.148890 O\n0.666667 0.333333 0.404473 O\n0.000000 0.000000 0.178047 O\n0.337327 0.168664 0.906856 O\n0.000000 0.000000 0.678047 O\n0.520880 0.041761 0.148890 O\n0.831336 0.168664 0.906856 O\n",
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"elements": [
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],
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"volume": 286.8069664524656,
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"formula_full": "Li6 Mn2 Fe6 O16",
"formula_reduced": "Li3MnFe3O8",
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"energy": -193.62908813,
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"updated_at": "2021-11-28T01:36:37.011000Z",
"spacegroup": 186
},
{
"id": "mp-752865",
"created_at": "2022-09-04T14:44:19.825227Z",
"structure_string": "Li4 Mn5 Cu3 O16\n1.0\n2.884899 5.095014 0.000000\n-2.884899 5.095014 0.000000\n0.000000 0.416648 9.428676\nLi Mn Cu O\n4 5 3 16\ndirect\n0.667798 0.667798 0.899656 Li\n0.001092 0.001092 0.996682 Li\n0.003394 0.003394 0.489488 Li\n0.336997 0.336997 0.398580 Li\n0.664468 0.664468 0.484811 Mn\n0.827723 0.827723 0.215124 Mn\n0.329542 0.329542 0.986364 Mn\n0.661787 0.169284 0.713638 Mn\n0.169284 0.661787 0.713638 Mn\n0.827149 0.339864 0.210161 Cu\n0.339864 0.827149 0.210161 Cu\n0.170027 0.170027 0.712045 Cu\n0.825757 0.330081 0.595078 O\n0.524689 0.524689 0.351020 O\n0.669301 0.669301 0.111066 O\n0.997930 0.997930 0.296484 O\n0.997098 0.997098 0.806424 O\n0.330081 0.825757 0.595078 O\n0.966224 0.536358 0.350207 O\n0.536358 0.966224 0.350207 O\n0.164447 0.164447 0.092938 O\n0.838176 0.838176 0.605154 O\n0.492064 0.040490 0.845397 O\n0.040490 0.492064 0.845397 O\n0.340147 0.340147 0.608378 O\n0.658146 0.153611 0.094931 O\n0.482979 0.482979 0.834672 O\n0.153611 0.658146 0.094931 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.487682449371054,
"density_atomic": 0.10101859609382043,
"volume": 277.1766890721305,
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"formula_full": "Li4 Mn5 Cu3 O16",
"formula_reduced": "Li4Mn5Cu3O16",
"formula_anonymous": "A3B4C5D16",
"energy": -192.37789903,
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"updated_at": "2021-11-28T01:36:34.511000Z",
"spacegroup": 8
},
{
"id": "mp-760277",
"created_at": "2022-09-04T14:44:19.841473Z",
"structure_string": "Li4 V4 Cr4 P16 O56\n1.0\n7.164498 0.000000 0.000000\n-3.529322 9.019198 0.000000\n-1.802190 -4.496361 16.139727\nLi V Cr P O\n4 4 4 16 56\ndirect\n0.290553 0.965993 0.431956 Li\n0.263049 0.590984 0.681265 Li\n0.014787 0.342858 0.181713 Li\n0.539462 0.215739 0.931828 Li\n0.157090 0.878540 0.247419 V\n0.905315 0.633516 0.753367 V\n0.655227 0.384864 0.253852 V\n0.407209 0.129897 0.747994 V\n0.723851 0.995636 0.503098 Cr\n0.469178 0.744704 0.002214 Cr\n0.216937 0.492556 0.498788 Cr\n0.971258 0.243080 0.999599 Cr\n0.331847 0.854734 0.590186 P\n0.083254 0.604793 0.088857 P\n0.794903 0.880098 0.891835 P\n0.545745 0.631741 0.391977 P\n0.970814 0.886099 0.641260 P\n0.722054 0.636428 0.140791 P\n0.383522 0.858760 0.842007 P\n0.134068 0.609340 0.341528 P\n0.835831 0.354505 0.588337 P\n0.584522 0.104130 0.089683 P\n0.293076 0.382165 0.890967 P\n0.042326 0.130761 0.390901 P\n0.476193 0.387332 0.640853 P\n0.224564 0.136817 0.141203 P\n0.878656 0.356732 0.838291 P\n0.627914 0.106161 0.338676 P\n0.552345 0.942636 0.090499 O\n0.455063 0.985873 0.269010 O\n0.133448 0.985259 0.165186 O\n0.803144 0.914068 0.595389 O\n0.553714 0.663770 0.095269 O\n0.661300 0.804609 0.412243 O\n0.427747 0.911270 0.520515 O\n0.182417 0.657495 0.020617 O\n0.446113 0.964860 0.676201 O\n0.194187 0.713781 0.176273 O\n0.166388 0.774700 0.337730 O\n0.862957 0.767472 0.217480 O\n0.109354 0.861746 0.573900 O\n0.859113 0.610096 0.073813 O\n0.585023 0.833157 0.823110 O\n0.335234 0.583162 0.322968 O\n0.738596 0.824415 0.966987 O\n0.487581 0.573773 0.466501 O\n0.302009 0.691365 0.591243 O\n0.048698 0.439811 0.091025 O\n0.352833 0.840623 0.926686 O\n0.102849 0.591242 0.426355 O\n0.214015 0.735352 0.770311 O\n0.964000 0.485492 0.270382 O\n0.886899 0.736571 0.668947 O\n0.637482 0.486712 0.169232 O\n0.909399 0.798498 0.841249 O\n0.660295 0.549582 0.341575 O\n0.307706 0.422874 0.598681 O\n0.056903 0.172812 0.098361 O\n0.409691 0.553868 0.910221 O\n0.160110 0.302814 0.409362 O\n0.933533 0.409356 0.519612 O\n0.678571 0.162456 0.019320 O\n0.953340 0.470785 0.674118 O\n0.705359 0.221439 0.173916 O\n0.913237 0.521187 0.833728 O\n0.662527 0.270488 0.333025 O\n0.606506 0.519706 0.718342 O\n0.355312 0.269892 0.218164 O\n0.612265 0.365269 0.574282 O\n0.362726 0.116614 0.074546 O\n0.082684 0.332157 0.823442 O\n0.832272 0.082085 0.323671 O\n0.242024 0.323674 0.966812 O\n0.993252 0.074419 0.467360 O\n0.798725 0.191495 0.590235 O\n0.842898 0.334241 0.923514 O\n0.592416 0.083986 0.423806 O\n0.705253 0.235990 0.769104 O\n0.384612 0.235596 0.665643 O\n0.407810 0.294026 0.844121 O\n0.157165 0.043348 0.343916 O\n0.912070 0.053323 0.911333 O\n0.416002 0.024275 0.837445 O\n0.112435 0.017540 0.717440 O\n",
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"elements": [
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"Cr",
"P",
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],
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"density": 2.9154260957806115,
"density_atomic": 0.08054329911364183,
"volume": 1042.9172994451217,
"volume_molar": 7.4768985455923715,
"formula_full": "Li4 V4 Cr4 P16 O56",
"formula_reduced": "LiVCr(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy": -668.27615996,
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"spacegroup": 1
},
{
"id": "mp-1188846",
"created_at": "2022-09-04T14:44:26.663944Z",
"structure_string": "Eu1 Mg2 H5\n1.0\n3.687119 0.000000 0.000000\n0.000000 3.687119 0.000000\n0.000000 0.000000 7.737950\nEu Mg H\n1 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.293418 Mg\n0.500000 0.500000 0.706582 Mg\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.213634 H\n0.000000 0.500000 0.786366 H\n0.500000 0.000000 0.213634 H\n0.500000 0.000000 0.786366 H\n",
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"formula_full": "Eu1 Mg2 H5",
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{
"id": "mp-1182914",
"created_at": "2022-09-04T14:44:17.696423Z",
"structure_string": "Al2 H28 C8 N2 O2 F8\n1.0\n7.941274 0.000000 0.000000\n2.798446 8.574169 0.000000\n1.985161 3.056513 8.742881\nAl H C N O F\n2 28 8 2 2 8\ndirect\n0.369174 0.580604 0.602287 Al\n0.630826 0.419396 0.397713 Al\n0.510575 0.999777 0.215894 H\n0.709487 0.569598 0.989473 H\n0.340759 0.166759 0.431015 H\n0.439671 0.824284 0.774324 H\n0.098317 0.191145 0.400471 H\n0.727144 0.697579 0.242454 H\n0.793717 0.980460 0.820344 H\n0.960481 0.788091 0.842587 H\n0.887637 0.550515 0.836826 H\n0.290513 0.430402 0.010527 H\n0.659241 0.833241 0.568985 H\n0.665130 0.562813 0.812193 H\n0.520971 0.175407 0.044100 H\n0.112363 0.449485 0.163174 H\n0.489425 0.000223 0.784106 H\n0.206283 0.019540 0.179656 H\n0.039519 0.211909 0.157413 H\n0.560329 0.175716 0.225676 H\n0.272856 0.302421 0.757546 H\n0.677358 0.138203 0.456285 H\n0.901683 0.808855 0.599529 H\n0.479029 0.824593 0.955900 H\n0.216108 0.191527 0.006413 H\n0.823674 0.224581 0.730694 H\n0.322642 0.861797 0.543715 H\n0.334870 0.437187 0.187807 H\n0.783892 0.808473 0.993587 H\n0.176326 0.775419 0.269306 H\n0.254257 0.397669 0.134729 C\n0.180098 0.154457 0.130404 C\n0.241566 0.165266 0.367372 C\n0.745743 0.602331 0.865271 C\n0.514055 0.865534 0.831693 C\n0.819902 0.845543 0.869596 C\n0.485945 0.134466 0.168307 C\n0.758434 0.834734 0.632628 C\n0.709244 0.789051 0.798530 N\n0.290756 0.210949 0.201470 N\n0.574027 0.231989 0.440126 O\n0.425973 0.768011 0.559874 O\n0.800559 0.769639 0.234581 F\n0.199441 0.230361 0.765419 F\n0.140682 0.647977 0.649890 F\n0.393287 0.404008 0.768939 F\n0.859318 0.352023 0.350110 F\n0.606713 0.595992 0.231061 F\n0.630309 0.487187 0.551464 F\n0.369691 0.512813 0.448536 F\n",
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"volume": 595.3012403572515,
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"formula_full": "Al2 H28 C8 N2 O2 F8",
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"spacegroup": 2
},
{
"id": "mp-753024",
"created_at": "2022-09-04T14:44:18.692409Z",
"structure_string": "Li2 V2 F6\n1.0\n2.928969 -5.073123 0.000000\n2.928969 5.073123 0.000000\n0.000000 0.000000 5.891491\nLi V F\n2 2 6\ndirect\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.250000 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.304428 0.152214 0.750000 F\n0.847786 0.695572 0.750000 F\n0.152214 0.847786 0.250000 F\n0.847786 0.152214 0.750000 F\n0.152214 0.304428 0.250000 F\n0.695572 0.847786 0.250000 F\n",
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"volume": 175.08356519984343,
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"formula_full": "Li2 V2 F6",
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{
"id": "mp-27548",
"created_at": "2022-09-04T14:44:18.697742Z",
"structure_string": "Cu4 Te8 O20\n1.0\n9.502240 0.000000 0.000000\n0.000000 6.974619 0.000000\n0.000000 2.328041 7.290260\nCu Te O\n4 8 20\ndirect\n0.011898 0.659965 0.794225 Cu\n0.488102 0.659965 0.294225 Cu\n0.511898 0.340035 0.705775 Cu\n0.988102 0.340035 0.205775 Cu\n0.678114 0.649506 0.940361 Te\n0.178114 0.350494 0.559639 Te\n0.821886 0.649506 0.440361 Te\n0.204282 0.864722 0.090499 Te\n0.795718 0.135278 0.909501 Te\n0.704282 0.135278 0.409501 Te\n0.295718 0.864722 0.590499 Te\n0.321886 0.350494 0.059639 Te\n0.126155 0.382268 0.007969 O\n0.146219 0.678091 0.591216 O\n0.891271 0.506423 0.677653 O\n0.866076 0.137819 0.146239 O\n0.633924 0.137819 0.646239 O\n0.608729 0.506423 0.177653 O\n0.366076 0.862181 0.353761 O\n0.391271 0.493577 0.822347 O\n0.133924 0.862181 0.853761 O\n0.853781 0.321909 0.408784 O\n0.818271 0.900132 0.531460 O\n0.181729 0.099868 0.468540 O\n0.318271 0.099868 0.968540 O\n0.373845 0.382268 0.507969 O\n0.646219 0.321909 0.908784 O\n0.353781 0.678091 0.091216 O\n0.108729 0.493577 0.322347 O\n0.626155 0.617732 0.492031 O\n0.681729 0.900132 0.031460 O\n0.873845 0.617732 0.992031 O\n",
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"formula_full": "Cu4 Te8 O20",
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}