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{
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"results": [
{
"id": "mp-769578",
"created_at": "2022-09-04T14:42:57.598494Z",
"structure_string": "Li8 V4 C8 S2 O32\n1.0\n0.000000 6.805669 6.838797\n6.609796 0.000000 6.838797\n6.609796 6.805669 0.000000\nLi V C S O\n8 4 8 2 32\ndirect\n0.786817 0.213183 0.213183 Li\n0.059427 0.440573 0.440573 Li\n0.786388 0.786388 0.213612 Li\n0.213612 0.213612 0.786388 Li\n0.212720 0.787280 0.212720 Li\n0.213183 0.786817 0.786817 Li\n0.787280 0.212720 0.787280 Li\n0.440573 0.059427 0.059427 Li\n0.622761 0.624386 0.627286 V\n0.627286 0.125567 0.622761 V\n0.125567 0.627286 0.624386 V\n0.624386 0.622761 0.125567 V\n0.776116 0.402849 0.407279 C\n0.413756 0.407279 0.402849 C\n0.407279 0.413756 0.776116 C\n0.402849 0.776116 0.413756 C\n0.852444 0.467019 0.834338 C\n0.846199 0.834338 0.467019 C\n0.834338 0.846199 0.852444 C\n0.467019 0.852444 0.846199 C\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n0.727002 0.808924 0.465607 O\n0.771809 0.416211 0.268858 O\n0.543123 0.268858 0.416211 O\n0.465607 0.998467 0.727002 O\n0.425802 0.537155 0.263548 O\n0.065287 0.061321 0.807723 O\n0.065669 0.807723 0.061321 O\n0.781656 0.529140 0.422177 O\n0.267027 0.422177 0.529140 O\n0.422177 0.267027 0.781656 O\n0.529140 0.781656 0.267027 O\n0.061321 0.065287 0.065669 O\n0.807723 0.065669 0.065287 O\n0.995543 0.714056 0.459132 O\n0.831269 0.459132 0.714056 O\n0.263548 0.773495 0.425802 O\n0.998467 0.465607 0.808923 O\n0.268858 0.543123 0.771809 O\n0.416211 0.771809 0.543123 O\n0.442593 0.181289 0.180882 O\n0.195236 0.180882 0.181289 O\n0.732159 0.469674 0.981204 O\n0.816962 0.981204 0.469674 O\n0.469674 0.732159 0.816962 O\n0.981204 0.816962 0.732159 O\n0.181289 0.442593 0.195236 O\n0.180882 0.195236 0.442593 O\n0.808923 0.727002 0.998467 O\n0.773495 0.263548 0.537155 O\n0.714056 0.995543 0.831269 O\n0.459132 0.831269 0.995542 O\n0.537155 0.425802 0.773495 O\n",
"nsites": 54,
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"elements": [
"Li",
"V",
"C",
"S",
"O"
],
"chemical_system": "C-Li-O-S-V",
"density": 2.5139630708732623,
"density_atomic": 0.08776577108121732,
"volume": 615.2740337691455,
"volume_molar": 6.861605254316274,
"formula_full": "Li8 V4 C8 S2 O32",
"formula_reduced": "Li4V2C4SO16",
"formula_anonymous": "AB2C4D4E16",
"energy": -405.15703571,
"energy_per_atom": -7.502908068703704,
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"updated_at": "2021-11-28T01:35:57.815000Z",
"spacegroup": 22
},
{
"id": "mp-1209899",
"created_at": "2022-09-04T14:43:23.285466Z",
"structure_string": "Ni4 Mo6 O16\n1.0\n2.919325 -5.056419 0.000000\n2.919325 5.056419 0.000000\n0.000000 0.000000 10.034401\nNi Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.941309 Ni\n0.333333 0.666667 0.441309 Ni\n0.666667 0.333333 0.375650 Ni\n0.333333 0.666667 0.875650 Ni\n0.853948 0.707897 0.639278 Mo\n0.853948 0.146052 0.639278 Mo\n0.146052 0.292103 0.139278 Mo\n0.292103 0.146052 0.639278 Mo\n0.146052 0.853948 0.139278 Mo\n0.707897 0.853948 0.139278 Mo\n0.511755 0.023510 0.522389 O\n0.511755 0.488245 0.522389 O\n0.488245 0.976490 0.022389 O\n0.976490 0.488245 0.522389 O\n0.488245 0.511755 0.022389 O\n0.023510 0.511755 0.022389 O\n0.168924 0.337847 0.755976 O\n0.168924 0.831076 0.755976 O\n0.831076 0.662153 0.255976 O\n0.662153 0.831076 0.755976 O\n0.831076 0.168924 0.255976 O\n0.337847 0.168924 0.255976 O\n0.000000 0.000000 0.995971 O\n0.000000 0.000000 0.495971 O\n0.666667 0.333333 0.742742 O\n0.333333 0.666667 0.242742 O\n",
"nsites": 26,
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"elements": [
"Ni",
"Mo",
"O"
],
"chemical_system": "Mo-Ni-O",
"density": 5.977559581906353,
"density_atomic": 0.08776601884606001,
"volume": 296.2422169974865,
"volume_molar": 6.861585883897416,
"formula_full": "Ni4 Mo6 O16",
"formula_reduced": "Ni2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy": -209.26259098,
"energy_per_atom": -8.048561191538461,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:14.302000Z",
"spacegroup": 186
},
{
"id": "mp-1218211",
"created_at": "2022-09-04T14:41:32.529515Z",
"structure_string": "Sr1 Nd1 Co2 O6\n1.0\n-2.714745 2.745598 3.821617\n2.714745 -2.745598 3.821617\n2.714745 2.745598 -3.821617\nSr Nd Co O\n1 1 2 6\ndirect\n0.999192 0.000000 0.999192 Sr\n0.509342 0.500000 0.009342 Nd\n0.751722 0.250561 0.501161 Co\n0.250600 0.749439 0.501161 Co\n0.452162 0.000000 0.452162 O\n0.069293 0.500000 0.569293 O\n0.523374 0.523263 0.483733 O\n0.960471 0.476737 0.000111 O\n0.523374 0.039640 0.000111 O\n0.960471 0.960360 0.483733 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Co",
"O"
],
"chemical_system": "Co-Nd-O-Sr",
"density": 6.495951044305056,
"density_atomic": 0.08776611139890363,
"volume": 113.93919407627897,
"volume_molar": 6.861578648083102,
"formula_full": "Sr1 Nd1 Co2 O6",
"formula_reduced": "SrNd(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -72.13056499,
"energy_per_atom": -7.2130564989999995,
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"updated_at": "2021-11-28T01:35:19.665000Z",
"spacegroup": 44
},
{
"id": "mp-780665",
"created_at": "2022-09-04T14:45:42.026304Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.974264 0.000000 0.000000\n-1.085588 7.745057 0.000000\n-2.795937 -3.603614 7.879651\nLi Mn B O\n2 6 6 18\ndirect\n0.779452 0.455065 0.614615 Li\n0.220548 0.544935 0.385385 Li\n0.361824 0.104822 0.252731 Mn\n0.942972 0.184715 0.396421 Mn\n0.299360 0.554121 0.064537 Mn\n0.700640 0.445879 0.935463 Mn\n0.057028 0.815285 0.603579 Mn\n0.638176 0.895178 0.747269 Mn\n0.050642 0.798758 0.932619 B\n0.286964 0.531816 0.722338 B\n0.585410 0.858841 0.393060 B\n0.414590 0.141159 0.606940 B\n0.713036 0.468184 0.277662 B\n0.949358 0.201242 0.067381 B\n0.229579 0.963638 0.010269 O\n0.880383 0.745446 0.765456 O\n0.339458 0.654388 0.649969 O\n0.613437 0.975616 0.309526 O\n0.084240 0.384465 0.645245 O\n0.409892 0.686738 0.310837 O\n0.443261 0.576968 0.894632 O\n0.740238 0.918617 0.560342 O\n0.969717 0.335429 0.000455 O\n0.030283 0.664571 0.999545 O\n0.259762 0.081383 0.439658 O\n0.556739 0.423032 0.105368 O\n0.590108 0.313262 0.689163 O\n0.915760 0.615535 0.354755 O\n0.386563 0.024384 0.690474 O\n0.660542 0.345612 0.350031 O\n0.119617 0.254554 0.234544 O\n0.770421 0.036362 0.989731 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1715408881189546,
"density_atomic": 0.08776754843262691,
"volume": 364.59945129450887,
"volume_molar": 6.861466302232177,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.70544994,
"energy_per_atom": -8.272045310625,
"energy_above_hull": null,
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"energy_uncorrected": -242.33144994,
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"updated_at": "2021-11-28T01:37:18.990000Z",
"spacegroup": 2
},
{
"id": "mp-758137",
"created_at": "2022-09-04T14:44:41.039864Z",
"structure_string": "Li6 Ti1 Cr3 P6 O24\n1.0\n8.482826 -0.255364 -0.174642\n4.280639 7.422001 -0.172867\n4.282689 2.407065 6.998571\nLi Ti Cr P O\n6 1 3 6 24\ndirect\n0.027090 0.005552 0.997314 Li\n0.749239 0.152553 0.349313 Li\n0.474344 0.503590 0.496398 Li\n0.265048 0.845550 0.657997 Li\n0.658380 0.264195 0.839912 Li\n0.842265 0.659367 0.261930 Li\n0.853629 0.852713 0.851607 Ti\n0.142258 0.145313 0.139131 Cr\n0.358327 0.361296 0.355411 Cr\n0.644309 0.646992 0.646256 Cr\n0.049590 0.749303 0.446993 P\n0.445865 0.050973 0.748355 P\n0.749814 0.450443 0.045984 P\n0.250820 0.539050 0.960480 P\n0.541193 0.964154 0.251115 P\n0.958393 0.249547 0.534778 P\n0.131808 0.286783 0.498287 O\n0.295950 0.513201 0.124223 O\n0.052376 0.921018 0.265298 O\n0.531707 0.124301 0.293155 O\n0.238884 0.590159 0.433110 O\n0.010046 0.806724 0.613238 O\n0.257629 0.076207 0.907532 O\n0.455022 0.233202 0.576891 O\n0.591963 0.433548 0.239630 O\n0.199788 0.378655 0.989856 O\n0.089253 0.734207 0.930465 O\n0.370749 0.004935 0.207694 O\n0.613221 0.006395 0.809127 O\n0.906307 0.257398 0.072877 O\n0.810615 0.612336 0.008126 O\n0.413017 0.562900 0.768389 O\n0.561290 0.772726 0.413047 O\n0.733059 0.930412 0.087172 O\n0.972327 0.200716 0.377363 O\n0.768779 0.412655 0.562201 O\n0.470472 0.892185 0.694390 O\n0.932623 0.087271 0.729741 O\n0.693633 0.477874 0.888306 O\n0.888917 0.692604 0.477909 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-Ti",
"density": 2.9706934221472716,
"density_atomic": 0.0877678757534689,
"volume": 455.74761445014303,
"volume_molar": 6.861440713132429,
"formula_full": "Li6 Ti1 Cr3 P6 O24",
"formula_reduced": "Li6TiCr3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -306.61161654,
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"updated_at": "2021-11-28T01:36:59.142000Z",
"spacegroup": 1
},
{
"id": "mp-857344",
"created_at": "2022-09-04T14:41:00.501509Z",
"structure_string": "Li8 Mn8 P8 O32\n1.0\n4.910701 0.000000 0.000000\n0.000000 7.601092 0.000000\n0.000000 0.000000 17.093336\nLi Mn P O\n8 8 8 32\ndirect\n0.242917 0.512458 0.052857 Li\n0.242917 0.012458 0.447143 Li\n0.288166 0.318162 0.356818 Li\n0.288166 0.818162 0.143182 Li\n0.742917 0.987542 0.552857 Li\n0.742917 0.487542 0.947143 Li\n0.788166 0.181838 0.856818 Li\n0.788166 0.681838 0.643182 Li\n0.289224 0.341220 0.552087 Mn\n0.289224 0.841220 0.947913 Mn\n0.358307 0.040568 0.752761 Mn\n0.358307 0.540568 0.747239 Mn\n0.789224 0.158780 0.052087 Mn\n0.789224 0.658780 0.447913 Mn\n0.858307 0.959432 0.247239 Mn\n0.858307 0.459432 0.252761 Mn\n0.237431 0.214745 0.174133 P\n0.237431 0.714745 0.325867 P\n0.252479 0.259616 0.925479 P\n0.252479 0.759616 0.574521 P\n0.737431 0.785255 0.825867 P\n0.737431 0.285255 0.674133 P\n0.752479 0.240384 0.425479 P\n0.752479 0.740384 0.074521 P\n0.050546 0.294207 0.663329 O\n0.050546 0.794207 0.836671 O\n0.061790 0.739239 0.054651 O\n0.061790 0.239239 0.445349 O\n0.117489 0.929979 0.545364 O\n0.117489 0.429979 0.954636 O\n0.187945 0.737956 0.663699 O\n0.187945 0.237956 0.836301 O\n0.095039 0.543073 0.356247 O\n0.095039 0.043073 0.143753 O\n0.150209 0.726794 0.238772 O\n0.150209 0.226794 0.261228 O\n0.095817 0.372079 0.132627 O\n0.095817 0.872079 0.367373 O\n0.114728 0.598500 0.532299 O\n0.114728 0.098500 0.967701 O\n0.550546 0.205793 0.163329 O\n0.550546 0.705793 0.336671 O\n0.561790 0.260761 0.945349 O\n0.561790 0.760761 0.554651 O\n0.617489 0.070021 0.454636 O\n0.617489 0.570021 0.045364 O\n0.687945 0.262044 0.336301 O\n0.687945 0.762044 0.163699 O\n0.595039 0.956927 0.856247 O\n0.595039 0.456927 0.643753 O\n0.650209 0.773206 0.738772 O\n0.650209 0.273206 0.761228 O\n0.595817 0.627921 0.867373 O\n0.595817 0.127921 0.632627 O\n0.614728 0.401500 0.467701 O\n0.614728 0.901500 0.032299 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.265716074674716,
"density_atomic": 0.08776911444977964,
"volume": 638.0376553991836,
"volume_molar": 6.861343876775459,
"formula_full": "Li8 Mn8 P8 O32",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -432.74747153,
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"updated_at": "2021-11-28T01:35:09.563000Z",
"spacegroup": 33
},
{
"id": "mp-1121875",
"created_at": "2022-09-04T14:46:28.196732Z",
"structure_string": "Na1 Fe9 Si6 B3 H2 O31\n1.0\n9.008293 0.044328 -3.922704\n-6.009844 6.669462 -3.938725\n0.013085 0.005538 9.806475\nNa Fe Si B H O\n1 9 6 3 2 31\ndirect\n0.239083 0.236838 0.247290 Na\n0.352799 0.566467 0.905168 Fe\n0.351357 0.914388 0.579710 Fe\n0.585636 0.763745 0.586965 Fe\n0.577205 0.577305 0.767825 Fe\n0.578462 0.912718 0.349328 Fe\n0.567433 0.354591 0.907863 Fe\n0.763485 0.578738 0.581371 Fe\n0.914649 0.354840 0.581031 Fe\n0.909825 0.576876 0.349010 Fe\n0.186907 0.996036 0.810992 Si\n0.191570 0.811750 0.999624 Si\n0.813367 0.000237 0.187848 Si\n0.810721 0.189743 0.997808 Si\n0.996782 0.186388 0.811364 Si\n0.000590 0.814537 0.187987 Si\n0.237735 0.566745 0.566016 B\n0.563208 0.566596 0.240599 B\n0.565383 0.238367 0.567492 B\n0.261565 0.641795 0.260666 H\n0.645947 0.255978 0.255495 H\n0.267054 0.991488 0.992247 O\n0.077409 0.796020 0.356212 O\n0.076003 0.354354 0.794017 O\n0.174643 0.505388 0.648722 O\n0.174399 0.648460 0.501185 O\n0.157597 0.157449 0.884448 O\n0.165866 0.887674 0.164075 O\n0.600152 0.782318 0.977951 O\n0.600057 0.977876 0.776216 O\n0.400564 0.399896 0.785067 O\n0.387284 0.774013 0.387553 O\n0.366420 0.551296 0.551355 O\n0.360924 0.796429 0.079336 O\n0.357438 0.076762 0.796813 O\n0.782291 0.601772 0.978098 O\n0.774609 0.976035 0.601004 O\n0.760935 0.773121 0.778109 O\n0.506876 0.173594 0.651269 O\n0.505209 0.650977 0.175949 O\n0.546141 0.364818 0.553114 O\n0.540140 0.550103 0.364140 O\n0.645833 0.501922 0.178097 O\n0.647775 0.175505 0.502227 O\n0.979684 0.776101 0.598904 O\n0.983862 0.599218 0.781705 O\n0.778569 0.381151 0.381444 O\n0.991169 0.267788 0.992244 O\n0.991324 0.992236 0.259322 O\n0.797097 0.077272 0.358253 O\n0.792227 0.357501 0.075148 O\n0.884841 0.164885 0.162423 O\n",
"nsites": 52,
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"elements": [
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"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Fe-H-Na-O-Si",
"density": 3.432135325762099,
"density_atomic": 0.08777005394295187,
"volume": 592.4571954097074,
"volume_molar": 6.861270432754007,
"formula_full": "Na1 Fe9 Si6 B3 H2 O31",
"formula_reduced": "NaFe9Si6B3H2O31",
"formula_anonymous": "AB2C3D6E9F31",
"energy": -415.05660419,
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"updated_at": "2021-11-28T01:37:36.603000Z",
"spacegroup": 1
},
{
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