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{
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"results": [
{
"id": "mp-1177591",
"created_at": "2022-09-04T14:40:08.472977Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.375988 0.000000 0.000000\n-0.122997 8.786201 0.000000\n-0.426604 -0.247623 12.620631\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.000086 0.999817 0.996910 Li\n0.001725 0.894015 0.754745 Li\n0.996789 0.989603 0.502487 Li\n0.988039 0.104797 0.242400 Li\n0.286824 0.189897 0.954746 Li\n0.289046 0.813595 0.451898 Li\n0.503616 0.496190 0.997932 Li\n0.501419 0.607777 0.745180 Li\n0.510442 0.505224 0.497384 Li\n0.497743 0.399465 0.251627 Li\n0.714618 0.180060 0.550830 Li\n0.709473 0.808545 0.046058 Li\n0.210236 0.500180 0.853610 Mn\n0.716363 0.998606 0.355856 Mn\n0.788634 0.496476 0.646777 Mn\n0.788680 0.501295 0.145958 Mn\n0.212076 0.497902 0.357278 V\n0.284944 0.002749 0.641334 V\n0.284848 0.998694 0.143137 V\n0.716218 0.002466 0.857208 V\n0.000999 0.201291 0.750237 P\n0.000533 0.795820 0.250762 P\n0.157950 0.642501 0.604174 P\n0.157740 0.356889 0.108062 P\n0.341974 0.855639 0.896324 P\n0.350688 0.144303 0.397633 P\n0.501579 0.297168 0.752367 P\n0.502934 0.708064 0.250439 P\n0.652960 0.854310 0.604102 P\n0.659862 0.149428 0.101028 P\n0.840671 0.643981 0.892671 P\n0.830847 0.353176 0.394276 P\n0.007315 0.574493 0.893887 O\n0.000814 0.416701 0.391737 O\n0.070773 0.090163 0.665614 O\n0.069612 0.904131 0.166116 O\n0.130324 0.297610 0.811552 O\n0.126110 0.702002 0.310008 O\n0.139933 0.819730 0.591315 O\n0.135597 0.178350 0.097100 O\n0.258826 0.600364 0.702082 O\n0.247017 0.943332 0.982400 O\n0.250416 0.592171 0.504317 O\n0.248851 0.402216 0.213069 O\n0.250717 0.056003 0.479568 O\n0.268200 0.907367 0.789601 O\n0.262562 0.403298 0.015123 O\n0.279220 0.094916 0.287831 O\n0.333604 0.679644 0.909588 O\n0.345932 0.320165 0.413262 O\n0.381175 0.201054 0.686320 O\n0.386758 0.805507 0.187328 O\n0.428137 0.409465 0.835700 O\n0.430555 0.601872 0.334702 O\n0.474629 0.900568 0.590149 O\n0.479525 0.107174 0.093266 O\n0.522392 0.893136 0.909125 O\n0.529890 0.103654 0.410720 O\n0.577812 0.403693 0.667485 O\n0.575526 0.598439 0.164838 O\n0.616727 0.199269 0.815552 O\n0.624940 0.806662 0.314998 O\n0.649149 0.679962 0.586034 O\n0.660398 0.326050 0.087037 O\n0.721207 0.899444 0.716460 O\n0.736804 0.596889 0.986046 O\n0.743639 0.099251 0.204007 O\n0.757116 0.945115 0.527570 O\n0.747418 0.602803 0.788561 O\n0.737926 0.397853 0.494503 O\n0.751980 0.064393 0.012502 O\n0.731125 0.397701 0.296373 O\n0.865697 0.822144 0.906059 O\n0.854100 0.173935 0.403274 O\n0.873363 0.289392 0.690019 O\n0.871138 0.702145 0.188138 O\n0.935236 0.092177 0.835648 O\n0.931649 0.906908 0.336060 O\n0.987657 0.577505 0.606347 O\n0.989957 0.423260 0.105574 O\n",
"nsites": 80,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9436336076630325,
"density_atomic": 0.08613342903212025,
"volume": 928.791537721864,
"volume_molar": 6.991641721072394,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -606.80010132,
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"updated_at": "2021-11-28T01:34:49.699000Z",
"spacegroup": 1
},
{
"id": "mp-1277669",
"created_at": "2022-09-04T14:40:08.474330Z",
"structure_string": "Li8 Ti2 Co6 O16\n1.0\n-0.002480 -3.080643 5.040233\n1.698828 -2.581646 -5.041821\n8.643964 2.583638 5.037739\nLi Ti Co O\n8 2 6 16\ndirect\n0.249253 0.749339 0.250635 Li\n0.750749 0.250662 0.749364 Li\n0.750127 0.250835 0.248956 Li\n0.249874 0.749165 0.751045 Li\n0.749037 0.749322 0.749672 Li\n0.250965 0.250678 0.250327 Li\n0.250164 0.251156 0.748635 Li\n0.749838 0.748843 0.251365 Li\n0.499992 0.499999 0.500004 Ti\n0.999990 0.999999 0.000001 Ti\n0.999999 0.999999 0.500000 Co\n0.500001 0.499999 0.999999 Co\n0.999999 0.500000 0.000000 Co\n0.500001 0.000000 0.499999 Co\n0.000000 0.499999 0.499999 Co\n0.500002 0.000002 0.999999 Co\n0.361331 0.638390 0.888509 O\n0.867322 0.111611 0.391830 O\n0.132678 0.888386 0.608168 O\n0.638670 0.361608 0.111491 O\n0.877861 0.122329 0.883698 O\n0.385116 0.630097 0.383614 O\n0.614885 0.369899 0.616385 O\n0.122143 0.877674 0.116305 O\n0.857288 0.622016 0.384221 O\n0.358267 0.116843 0.884104 O\n0.380211 0.141490 0.383561 O\n0.883215 0.642152 0.883178 O\n0.641729 0.883155 0.115897 O\n0.142715 0.377987 0.615777 O\n0.116790 0.357849 0.116822 O\n0.619797 0.858514 0.616438 O\n",
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"density": 4.279574337654923,
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"volume": 295.22182726267636,
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"formula_full": "Li8 Ti2 Co6 O16",
"formula_reduced": "Li4TiCo3O8",
"formula_anonymous": "AB3C4D8",
"energy": -218.72251281,
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"spacegroup": 15
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{
"id": "mp-1202377",
"created_at": "2022-09-04T14:40:08.429708Z",
"structure_string": "Zr4 Te8 Br4 O22\n1.0\n7.965335 0.000000 0.000000\n-1.453260 9.788696 0.000000\n-3.235805 -4.774300 9.162573\nZr Te Br O\n4 8 4 22\ndirect\n0.887988 0.111230 0.619242 Zr\n0.112012 0.888770 0.380758 Zr\n0.624085 0.389611 0.892132 Zr\n0.375915 0.610389 0.107868 Zr\n0.254745 0.010650 0.786138 Te\n0.745255 0.989350 0.213862 Te\n0.485200 0.259844 0.479960 Te\n0.514800 0.740156 0.520040 Te\n0.781117 0.481681 0.256331 Te\n0.218883 0.518319 0.743669 Te\n0.986074 0.240501 0.991997 Te\n0.013926 0.759499 0.008003 Te\n0.098419 0.374412 0.365070 Br\n0.901581 0.625588 0.634930 Br\n0.633501 0.885930 0.891808 Br\n0.366499 0.114070 0.108192 Br\n0.513578 0.359761 0.677133 O\n0.486422 0.640239 0.322867 O\n0.682020 0.173642 0.497645 O\n0.317980 0.826358 0.502355 O\n0.067895 0.111813 0.825487 O\n0.932105 0.888187 0.174513 O\n0.584673 0.492327 0.104247 O\n0.415327 0.507673 0.895753 O\n0.818476 0.364936 0.076633 O\n0.181524 0.635064 0.923367 O\n0.817072 0.244021 0.821223 O\n0.182928 0.755979 0.178777 O\n0.105505 0.990538 0.596523 O\n0.894495 0.009462 0.403477 O\n0.930695 0.676578 0.318371 O\n0.069305 0.323422 0.681629 O\n0.705401 0.917293 0.580617 O\n0.294599 0.082707 0.419383 O\n0.172691 0.418496 0.052829 O\n0.827309 0.581504 0.947171 O\n0.441726 0.179467 0.831894 O\n0.558274 0.820533 0.168106 O\n",
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"elements": [
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],
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"formula_full": "Zr4 Te8 Br4 O22",
"formula_reduced": "Zr2Te4Br2O11",
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"energy": -256.98391285,
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{
"id": "mp-1214277",
"created_at": "2022-09-04T14:40:08.435188Z",
"structure_string": "Ce6 N8 O33\n1.0\n-9.290951 -0.032074 0.162829\n-0.212074 0.856233 -10.528317\n4.257100 -8.665646 5.329119\nCe N O\n6 8 33\ndirect\n0.840914 0.921293 0.590865 Ce\n0.159086 0.078707 0.409135 Ce\n0.805152 0.796053 0.217015 Ce\n0.194848 0.203947 0.782985 Ce\n0.156173 0.806251 0.491625 Ce\n0.843827 0.193749 0.508375 Ce\n0.363533 0.719360 0.865360 N\n0.636467 0.280640 0.134640 N\n0.582230 0.879916 0.672340 N\n0.417770 0.120084 0.327660 N\n0.834035 0.523825 0.663373 N\n0.165965 0.476175 0.336627 N\n0.675911 0.470212 0.921684 N\n0.324089 0.529788 0.078316 N\n0.877089 0.724697 0.379788 O\n0.122911 0.275303 0.620212 O\n0.459464 0.869550 0.691516 O\n0.540536 0.130450 0.308484 O\n0.612347 0.330775 0.809967 O\n0.387653 0.669225 0.190033 O\n0.361896 0.627470 0.729581 O\n0.638104 0.372530 0.270419 O\n0.110528 0.959861 0.715932 O\n0.889472 0.040139 0.284068 O\n0.927076 0.181129 0.718832 O\n0.072924 0.818871 0.281168 O\n0.594576 0.766598 0.547654 O\n0.405424 0.233402 0.452346 O\n0.828430 0.529482 0.009571 O\n0.171570 0.470518 0.990429 O\n0.703280 0.945656 0.398534 O\n0.296720 0.054344 0.601466 O\n0.238241 0.708426 0.880598 O\n0.761759 0.291574 0.119402 O\n0.301508 0.995601 0.224914 O\n0.698492 0.004399 0.775086 O\n0.000000 0.000000 0.500000 O\n0.490103 0.823348 0.986043 O\n0.509897 0.176652 0.013957 O\n0.909106 0.462383 0.575337 O\n0.090894 0.537617 0.424663 O\n0.836450 0.663777 0.737445 O\n0.163550 0.336223 0.262555 O\n0.590507 0.571431 0.961863 O\n0.409493 0.428569 0.038137 O\n0.756243 0.427716 0.669394 O\n0.243757 0.572284 0.330606 O\n",
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{
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"structure_string": "Cs2 K1 U2 Si4 O14\n1.0\n4.270869 -5.904639 0.000000\n4.270869 5.904639 0.000000\n0.000000 0.000000 7.699816\nCs K U Si O\n2 1 2 4 14\ndirect\n0.783252 0.216748 0.000000 Cs\n0.216748 0.783252 0.000000 Cs\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.691446 0.691446 0.205452 Si\n0.308554 0.308554 0.205452 Si\n0.691446 0.691446 0.794548 Si\n0.308554 0.308554 0.794548 Si\n0.752198 0.247802 0.500000 O\n0.500000 0.500000 0.797573 O\n0.500000 0.500000 0.202427 O\n0.247802 0.752198 0.500000 O\n0.644495 0.873961 0.705136 O\n0.355505 0.126039 0.705136 O\n0.873961 0.644495 0.294864 O\n0.126039 0.355505 0.294864 O\n0.355505 0.126039 0.294864 O\n0.644495 0.873961 0.294864 O\n0.126039 0.355505 0.705136 O\n0.873961 0.644495 0.705136 O\n0.248801 0.248801 0.000000 O\n0.751199 0.751199 0.000000 O\n",
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{
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"structure_string": "Ce3 Cu4 P4 O2\n1.0\n-1.945362 1.945362 13.418882\n1.945362 -1.945362 13.418882\n1.945362 1.945362 -13.418882\nCe Cu P O\n3 4 4 2\ndirect\n0.297874 0.297874 0.000000 Ce\n0.702126 0.702126 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.597947 0.097947 0.500000 Cu\n0.402053 0.902053 0.500000 Cu\n0.097947 0.597947 0.500000 Cu\n0.902053 0.402053 0.500000 Cu\n0.455135 0.455135 0.000000 P\n0.544865 0.544865 0.000000 P\n0.146965 0.146965 0.000000 P\n0.853035 0.853035 0.000000 P\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
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{
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