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{
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"results": [
{
"id": "mp-697787",
"created_at": "2022-09-04T14:41:18.046639Z",
"structure_string": "Li4 Cr4 P8 O28\n1.0\n6.655720 4.147409 0.000000\n-6.655720 4.147409 0.000000\n0.000000 0.154432 10.588497\nLi Cr P O\n4 4 8 28\ndirect\n0.287320 0.718231 0.499019 Li\n0.712680 0.281769 0.500981 Li\n0.281769 0.712680 0.000981 Li\n0.718231 0.287320 0.999019 Li\n0.310337 0.308051 0.110750 Cr\n0.308051 0.310337 0.610750 Cr\n0.691949 0.689663 0.389250 Cr\n0.689663 0.691949 0.889250 Cr\n0.288266 0.082796 0.369504 P\n0.917204 0.711734 0.130496 P\n0.317184 0.092567 0.866611 P\n0.682816 0.907433 0.133389 P\n0.082796 0.288266 0.869504 P\n0.092567 0.317184 0.366611 P\n0.711734 0.917204 0.630496 P\n0.907433 0.682816 0.633389 P\n0.119488 0.754397 0.119434 O\n0.880512 0.245603 0.880566 O\n0.909954 0.893733 0.618797 O\n0.792373 0.586375 0.018922 O\n0.197211 0.399341 0.240200 O\n0.620350 0.815045 0.756512 O\n0.207627 0.413625 0.981078 O\n0.600659 0.802789 0.259800 O\n0.802789 0.600659 0.759800 O\n0.102285 0.701167 0.622724 O\n0.298833 0.897715 0.877276 O\n0.106267 0.090046 0.881203 O\n0.893733 0.909954 0.118797 O\n0.379650 0.184955 0.243488 O\n0.770706 0.567402 0.522633 O\n0.567402 0.770706 0.022633 O\n0.184955 0.379650 0.743488 O\n0.399341 0.197211 0.740200 O\n0.432598 0.229294 0.977367 O\n0.754397 0.119488 0.619434 O\n0.229294 0.432598 0.477367 O\n0.586375 0.792373 0.518922 O\n0.090046 0.106267 0.381203 O\n0.413625 0.207627 0.481078 O\n0.245603 0.880512 0.380566 O\n0.701167 0.102285 0.122724 O\n0.815045 0.620350 0.256512 O\n0.897715 0.298833 0.377276 O\n",
"nsites": 44,
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"formula_full": "Li4 Cr4 P8 O28",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
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"updated_at": "2021-11-28T01:35:14.278000Z",
"spacegroup": 15
},
{
"id": "mp-765142",
"created_at": "2022-09-04T14:41:18.052395Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n2.744233 4.280511 0.000000\n-2.744233 4.280511 0.000000\n0.000000 2.503788 8.197779\nLi Co Si O\n2 2 2 8\ndirect\n0.709025 0.825082 0.537797 Li\n0.825082 0.709025 0.037797 Li\n0.327290 0.897151 0.860688 Co\n0.897151 0.327290 0.360688 Co\n0.726585 0.256389 0.744801 Si\n0.256389 0.726585 0.244801 Si\n0.033495 0.227781 0.788961 O\n0.610071 0.025836 0.886281 O\n0.519120 0.610511 0.727867 O\n0.759092 0.160717 0.568556 O\n0.227781 0.033495 0.288961 O\n0.025836 0.610071 0.386281 O\n0.610511 0.519120 0.227867 O\n0.160717 0.759092 0.068556 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.7238047895033044,
"density_atomic": 0.07269176833886495,
"volume": 192.59402157802293,
"volume_molar": 8.284487910552368,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy": -100.53714084,
"energy_per_atom": -7.181224345714286,
"energy_above_hull": null,
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"energy_uncorrected": -91.76514084,
"band_gap": 1.3127000000000002,
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"updated_at": "2021-11-28T01:35:15.438000Z",
"spacegroup": 9
},
{
"id": "mp-1226843",
"created_at": "2022-09-04T14:41:13.138468Z",
"structure_string": "Ce2 Cd1 Sb4\n1.0\n4.392303 0.000000 0.000000\n0.000000 4.392303 0.000000\n0.000000 0.000000 10.764096\nCe Cd Sb\n2 1 4\ndirect\n0.500000 0.000000 0.768520 Ce\n0.000000 0.500000 0.231480 Ce\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.321475 Sb\n0.000000 0.500000 0.678525 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 7,
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"elements": [
"Ce",
"Cd",
"Sb"
],
"chemical_system": "Cd-Ce-Sb",
"density": 7.034174702661852,
"density_atomic": 0.03370822573944235,
"volume": 207.6644452932219,
"volume_molar": 17.865493148615737,
"formula_full": "Ce2 Cd1 Sb4",
"formula_reduced": "Ce2CdSb4",
"formula_anonymous": "AB2C4",
"energy": -34.86108878,
"energy_per_atom": -4.98015554,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:15.639000Z",
"spacegroup": 115
},
{
"id": "mp-770764",
"created_at": "2022-09-04T14:41:18.099151Z",
"structure_string": "Li8 Fe4 B20 O40\n1.0\n15.296156 0.000000 0.000000\n0.000000 7.255661 0.000000\n0.000000 0.103347 7.267933\nLi Fe B O\n8 4 20 40\ndirect\n0.829844 0.899872 0.999904 Li\n0.670156 0.899872 0.499904 Li\n0.072605 0.694220 0.588850 Li\n0.427395 0.694220 0.088850 Li\n0.572605 0.305780 0.911150 Li\n0.927395 0.305780 0.411150 Li\n0.329844 0.100128 0.500096 Li\n0.170156 0.100128 0.000096 Li\n0.876276 0.850079 0.535715 Fe\n0.623724 0.850079 0.035715 Fe\n0.376276 0.149921 0.964285 Fe\n0.123724 0.149921 0.464285 Fe\n0.973565 0.797885 0.907507 B\n0.526435 0.797885 0.407507 B\n0.222874 0.784117 0.521362 B\n0.277126 0.784117 0.021362 B\n0.496905 0.753562 0.733083 B\n0.003095 0.753562 0.233083 B\n0.379642 0.681407 0.505878 B\n0.120358 0.681407 0.005878 B\n0.743278 0.542136 0.500501 B\n0.756722 0.542136 0.000501 B\n0.243278 0.457864 0.999499 B\n0.256722 0.457864 0.499499 B\n0.879643 0.318593 0.994122 B\n0.620358 0.318593 0.494122 B\n0.996905 0.246438 0.766917 B\n0.503095 0.246438 0.266917 B\n0.722874 0.215883 0.978638 B\n0.777126 0.215883 0.478638 B\n0.473565 0.202115 0.592493 B\n0.026435 0.202115 0.092493 B\n0.156920 0.909751 0.537292 O\n0.343080 0.909751 0.037292 O\n0.910635 0.849876 0.784330 O\n0.589365 0.849876 0.284330 O\n0.191017 0.829582 0.994385 O\n0.549301 0.830929 0.592810 O\n0.308983 0.829582 0.494385 O\n0.950699 0.830929 0.092810 O\n0.525917 0.750100 0.912429 O\n0.974083 0.750100 0.412429 O\n0.769525 0.722445 0.510732 O\n0.052322 0.721582 0.861725 O\n0.730475 0.722445 0.010732 O\n0.447678 0.721582 0.361725 O\n0.417832 0.682078 0.690820 O\n0.082168 0.682078 0.190820 O\n0.196015 0.598428 0.537594 O\n0.303985 0.598428 0.037594 O\n0.658063 0.498698 0.528629 O\n0.158063 0.501302 0.971371 O\n0.841937 0.498698 0.028629 O\n0.341937 0.501302 0.471371 O\n0.696015 0.401572 0.962406 O\n0.803985 0.401572 0.462406 O\n0.917832 0.317922 0.809180 O\n0.582168 0.317922 0.309180 O\n0.552322 0.278418 0.638275 O\n0.269525 0.277555 0.989268 O\n0.947678 0.278418 0.138275 O\n0.230475 0.277555 0.489268 O\n0.025917 0.249900 0.587571 O\n0.474083 0.249900 0.087571 O\n0.049301 0.169071 0.907190 O\n0.691017 0.170418 0.505615 O\n0.450699 0.169071 0.407190 O\n0.808983 0.170418 0.005615 O\n0.410635 0.150124 0.715670 O\n0.089365 0.150124 0.215670 O\n0.656920 0.090249 0.962708 O\n0.843080 0.090249 0.462708 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
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"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.336762362361401,
"density_atomic": 0.08926111218923528,
"volume": 806.622259504885,
"volume_molar": 6.746656648455092,
"formula_full": "Li8 Fe4 B20 O40",
"formula_reduced": "Li2Fe(BO2)5",
"formula_anonymous": "AB2C5D10",
"energy": -571.03875911,
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"updated_at": "2021-11-28T01:35:16.069000Z",
"spacegroup": 14
},
{
"id": "mp-770554",
"created_at": "2022-09-04T14:41:10.622825Z",
"structure_string": "Mn3 Co3 Sn2 O16\n1.0\n2.869891 4.953092 0.000000\n-2.869891 4.953092 0.000000\n0.000000 0.172816 9.424489\nMn Co Sn O\n3 3 2 16\ndirect\n0.167412 0.167412 0.215405 Mn\n0.335142 0.832070 0.714845 Mn\n0.832070 0.335142 0.714845 Mn\n0.167175 0.664942 0.211480 Co\n0.664942 0.167175 0.211480 Co\n0.832664 0.832664 0.710551 Co\n0.334264 0.334264 0.489998 Sn\n0.667836 0.667836 0.992215 Sn\n0.155704 0.682210 0.606905 O\n0.482609 0.482609 0.321910 O\n0.334858 0.334858 0.109592 O\n0.997155 0.997155 0.313830 O\n0.997517 0.997517 0.814610 O\n0.682210 0.155704 0.606905 O\n0.032773 0.487653 0.328532 O\n0.487653 0.032773 0.328532 O\n0.842375 0.842375 0.111533 O\n0.158556 0.158556 0.603539 O\n0.521417 0.967203 0.827373 O\n0.967203 0.521417 0.827373 O\n0.667409 0.667409 0.608983 O\n0.315569 0.839455 0.106354 O\n0.515294 0.515294 0.832316 O\n0.839455 0.315569 0.106354 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Mn-O-Sn",
"density": 5.175097224512714,
"density_atomic": 0.08957393166598607,
"volume": 267.9350962230178,
"volume_molar": 6.723095266663157,
"formula_full": "Mn3 Co3 Sn2 O16",
"formula_reduced": "Mn3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -173.14654425,
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"updated_at": "2021-11-28T01:35:19.005000Z",
"spacegroup": 8
},
{
"id": "mp-773180",
"created_at": "2022-09-04T14:41:17.594343Z",
"structure_string": "Li8 Mn6 Sn10 O32\n1.0\n6.261273 0.087661 -0.092961\n0.151842 10.670322 -0.092826\n-0.150571 -0.086794 9.961502\nLi Mn Sn O\n8 6 10 32\ndirect\n0.994973 0.331661 0.896334 Li\n0.494948 0.831675 0.896297 Li\n0.481894 0.494046 0.986653 Li\n0.981926 0.994003 0.986642 Li\n0.498559 0.499524 0.494485 Li\n0.998576 0.999496 0.494505 Li\n0.497111 0.165708 0.401877 Li\n0.997113 0.665727 0.401846 Li\n0.746488 0.915724 0.214116 Mn\n0.500181 0.330534 0.712374 Mn\n0.000066 0.830544 0.712439 Mn\n0.246789 0.415473 0.214056 Mn\n0.745858 0.084884 0.712298 Mn\n0.245890 0.584878 0.712382 Mn\n0.009663 0.336531 0.492663 Sn\n0.509615 0.836525 0.492650 Sn\n0.255235 0.085027 0.716240 Sn\n0.755225 0.585055 0.716269 Sn\n0.503635 0.167902 0.986870 Sn\n0.003749 0.667942 0.986916 Sn\n0.756184 0.416088 0.214238 Sn\n0.256068 0.916034 0.214241 Sn\n0.002252 0.169998 0.214259 Sn\n0.502237 0.669978 0.214219 Sn\n0.775003 0.258317 0.343012 O\n0.274986 0.758330 0.343050 O\n0.988557 0.329459 0.099949 O\n0.488568 0.829511 0.099930 O\n0.008764 0.002908 0.311697 O\n0.508814 0.502910 0.311672 O\n0.495185 0.498541 0.802412 O\n0.995229 0.998412 0.802396 O\n0.243314 0.081094 0.096042 O\n0.743322 0.581102 0.096012 O\n0.267048 0.422418 0.600695 O\n0.767092 0.922300 0.600639 O\n0.506191 0.168745 0.611874 O\n0.006282 0.668760 0.612030 O\n0.714508 0.238253 0.831131 O\n0.214708 0.738300 0.830912 O\n0.754764 0.421922 0.595436 O\n0.254765 0.921923 0.595397 O\n0.010194 0.166417 0.595448 O\n0.510227 0.666401 0.595431 O\n0.990825 0.483256 0.349333 O\n0.490757 0.983293 0.349337 O\n0.220330 0.253730 0.349351 O\n0.720238 0.753742 0.349297 O\n0.268675 0.239542 0.848136 O\n0.768754 0.739590 0.848170 O\n0.493795 0.014565 0.848166 O\n0.993793 0.514604 0.848194 O\n0.509354 0.337550 0.091377 O\n0.009467 0.837524 0.091428 O\n0.760989 0.085911 0.091395 O\n0.260976 0.586012 0.091463 O\n",
"nsites": 56,
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"elements": [
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],
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"volume": 665.1960029256528,
"volume_molar": 7.153399933227952,
"formula_full": "Li8 Mn6 Sn10 O32",
"formula_reduced": "Li4Mn3Sn5O16",
"formula_anonymous": "A3B4C5D16",
"energy": -388.44510982,
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"updated_at": "2021-11-28T01:35:18.306000Z",
"spacegroup": 8
},
{
"id": "mp-1224401",
"created_at": "2022-09-04T14:41:17.602417Z",
"structure_string": "Hf2 Ti2 Fe8\n1.0\n2.439121 -4.224682 0.000000\n2.439121 4.224682 0.000000\n0.000000 0.000000 7.906739\nHf Ti Fe\n2 2 8\ndirect\n0.666667 0.333333 0.431632 Hf\n0.333333 0.666667 0.568368 Hf\n0.333333 0.666667 0.943975 Ti\n0.666667 0.333333 0.056025 Ti\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.661331 0.830665 0.244729 Fe\n0.169335 0.830665 0.244729 Fe\n0.169335 0.338669 0.244729 Fe\n0.338669 0.169335 0.755271 Fe\n0.830665 0.169335 0.755271 Fe\n0.830665 0.661331 0.755271 Fe\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.166065224804589,
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"volume": 162.95015142910577,
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"formula_full": "Hf2 Ti2 Fe8",
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"spacegroup": 164
},
{
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{
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{
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"structure_string": "Sm4 Mg1 Mo4 O14\n1.0\n6.569039 0.004467 3.828689\n2.201729 6.229661 3.814943\n0.030856 0.005141 7.603799\nSm Mg Mo O\n4 1 4 14\ndirect\n0.498420 0.004565 0.497263 Sm\n0.497310 0.499539 0.498569 Sm\n0.490829 0.504494 0.000541 Sm\n0.000488 0.504419 0.490534 Sm\n0.132254 0.117809 0.132127 Mg\n0.991457 0.995118 0.991226 Mo\n0.987288 0.990740 0.531134 Mo\n0.531234 0.990781 0.987295 Mo\n0.991304 0.522179 0.991400 Mo\n0.646244 0.103854 0.646254 O\n0.079513 0.654326 0.668218 O\n0.931498 0.331791 0.323040 O\n0.668314 0.654434 0.079502 O\n0.372387 0.377505 0.372533 O\n0.932362 0.317480 0.932613 O\n0.079269 0.097867 0.668393 O\n0.323159 0.913681 0.931359 O\n0.323403 0.332069 0.930693 O\n0.087536 0.662638 0.087295 O\n0.624220 0.625736 0.624250 O\n0.337575 0.912394 0.337600 O\n0.930789 0.913664 0.323423 O\n0.668146 0.097917 0.079737 O\n",
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{
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"structure_string": "Li4 Ti4 Fe2 O12\n1.0\n5.220737 -0.023288 0.000569\n-2.643750 4.501887 -0.000620\n0.001146 -0.000781 10.410420\nLi Ti Fe O\n4 4 2 12\ndirect\n0.174334 0.674302 0.750012 Li\n0.325545 0.825568 0.250012 Li\n0.674442 0.174413 0.749987 Li\n0.825653 0.325687 0.249987 Li\n0.160247 0.839875 0.500114 Ti\n0.339938 0.660299 0.999911 Ti\n0.660081 0.339707 0.000094 Ti\n0.839739 0.160134 0.499875 Ti\n0.000027 0.000018 0.000000 Fe\n0.500002 0.500016 0.500001 Fe\n0.002199 0.633933 0.107287 O\n0.997805 0.366058 0.892712 O\n0.133824 0.502204 0.392676 O\n0.497631 0.866252 0.607352 O\n0.142864 0.142998 0.599801 O\n0.356999 0.357173 0.099803 O\n0.643013 0.642831 0.900203 O\n0.366348 0.997613 0.892614 O\n0.857135 0.857002 0.400198 O\n0.502357 0.133740 0.392651 O\n0.866168 0.497794 0.607322 O\n0.633650 0.002380 0.107387 O\n",
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]
}