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{
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"results": [
{
"id": "mp-728627",
"created_at": "2022-09-04T14:47:57.277423Z",
"structure_string": "Li10 Bi4 P10 O36\n1.0\n9.533103 0.000000 0.000000\n-1.441347 11.146489 0.000000\n-0.199420 -0.187067 6.784788\nLi Bi P O\n10 4 10 36\ndirect\n0.864264 0.983314 0.043318 Li\n0.135736 0.016686 0.956682 Li\n0.646169 0.179563 0.889559 Li\n0.336823 0.869519 0.775663 Li\n0.403924 0.405977 0.725288 Li\n0.353831 0.820437 0.110441 Li\n0.663177 0.130481 0.224337 Li\n0.596076 0.594023 0.274712 Li\n0.852614 0.337870 0.374513 Li\n0.147386 0.662130 0.625487 Li\n0.937361 0.337710 0.763655 Bi\n0.607349 0.777449 0.634648 Bi\n0.392651 0.222551 0.365352 Bi\n0.062639 0.662290 0.236345 Bi\n0.658756 0.277077 0.578984 P\n0.165350 0.147699 0.579378 P\n0.908323 0.824042 0.732916 P\n0.216389 0.514130 0.932216 P\n0.403594 0.219080 0.005567 P\n0.783611 0.485870 0.067784 P\n0.091677 0.175958 0.267084 P\n0.596406 0.780920 0.994433 P\n0.341244 0.722923 0.421016 P\n0.834650 0.852301 0.420622 P\n0.478641 0.255283 0.886793 O\n0.671628 0.583368 0.974309 O\n0.116033 0.351549 0.915197 O\n0.316529 0.040863 0.974180 O\n0.683471 0.959137 0.025820 O\n0.883967 0.648451 0.084803 O\n0.328372 0.416632 0.025691 O\n0.186745 0.689949 0.026227 O\n0.521359 0.744717 0.113207 O\n0.479258 0.208483 0.153647 O\n0.737729 0.421136 0.204476 O\n0.043701 0.010494 0.158785 O\n0.827953 0.032193 0.330637 O\n0.209689 0.270578 0.234958 O\n0.929089 0.699633 0.391994 O\n0.331141 0.883694 0.307242 O\n0.001268 0.340737 0.278920 O\n0.813255 0.310051 0.973773 O\n0.426185 0.563084 0.370365 O\n0.602726 0.188308 0.432252 O\n0.116151 0.065355 0.415891 O\n0.214390 0.637260 0.436321 O\n0.785610 0.362740 0.563679 O\n0.883849 0.934645 0.584109 O\n0.397274 0.811692 0.567748 O\n0.573815 0.436916 0.629635 O\n0.288966 0.249191 0.574328 O\n0.998732 0.659263 0.721080 O\n0.668859 0.116306 0.692758 O\n0.070911 0.300367 0.608006 O\n0.790311 0.729422 0.765042 O\n0.172047 0.967807 0.669363 O\n0.956299 0.989506 0.841215 O\n0.262271 0.578864 0.795524 O\n0.520742 0.791517 0.846353 O\n0.711034 0.750809 0.425672 O\n",
"nsites": 60,
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"elements": [
"Li",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Li-O-P",
"density": 4.125224336508162,
"density_atomic": 0.08322285131519237,
"volume": 720.9558318635374,
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"formula_full": "Li10 Bi4 P10 O36",
"formula_reduced": "Li5Bi2P5O18",
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"energy": -264.94566595000003,
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"updated_at": "2021-11-28T01:38:22.422000Z",
"spacegroup": 2
},
{
"id": "mp-1227033",
"created_at": "2022-09-04T14:47:57.643096Z",
"structure_string": "Ca1 Sn1 Hg1\n1.0\n2.495426 -4.322205 0.000000\n2.495426 4.322205 0.000000\n0.000000 0.000000 3.806907\nCa Sn Hg\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
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"elements": [
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],
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"density": 7.26688461899341,
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"volume": 82.12063903104004,
"volume_molar": 16.484734918202438,
"formula_full": "Ca1 Sn1 Hg1",
"formula_reduced": "CaSnHg",
"formula_anonymous": "ABC",
"energy": -7.63279882,
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"updated_at": "2021-11-28T01:38:18.445000Z",
"spacegroup": 187
},
{
"id": "mp-771159",
"created_at": "2022-09-04T14:47:57.646663Z",
"structure_string": "Li4 V6 W2 O16\n1.0\n3.056387 -5.300791 -0.005259\n9.139943 5.283994 0.174704\n0.073577 -3.486375 4.926867\nLi V W O\n4 6 2 16\ndirect\n0.932452 0.194042 0.136397 Li\n0.433293 0.693891 0.133671 Li\n0.566688 0.306124 0.866357 Li\n0.067535 0.805971 0.863620 Li\n0.999937 0.000084 0.500262 V\n0.500176 0.999930 0.499819 V\n0.999870 0.500017 0.000117 V\n0.500110 0.499944 0.499858 V\n0.999924 0.499931 0.499931 V\n0.500123 0.999992 0.999826 V\n0.750055 0.749461 0.496352 W\n0.249947 0.250534 0.503653 W\n0.863398 0.399157 0.273306 O\n0.362063 0.899385 0.275374 O\n0.637919 0.100637 0.724657 O\n0.136597 0.600835 0.726683 O\n0.642413 0.627770 0.716969 O\n0.139945 0.127972 0.720506 O\n0.639156 0.622967 0.264345 O\n0.145730 0.122555 0.263117 O\n0.094470 0.621377 0.258776 O\n0.591969 0.122762 0.263186 O\n0.408038 0.877243 0.736834 O\n0.905498 0.378633 0.741254 O\n0.854275 0.877455 0.736886 O\n0.360809 0.377048 0.735684 O\n0.860019 0.872044 0.279525 O\n0.357590 0.372237 0.283034 O\n",
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"elements": [
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"V",
"W",
"O"
],
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"density": 4.962867834950786,
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"volume": 320.2330645402155,
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"formula_full": "Li4 V6 W2 O16",
"formula_reduced": "Li2V3WO8",
"formula_anonymous": "AB2C3D8",
"energy": -235.09475394,
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"updated_at": "2021-11-28T01:38:19.164000Z",
"spacegroup": 166
},
{
"id": "mp-1022049",
"created_at": "2022-09-04T14:47:57.679562Z",
"structure_string": "Mg12 Co2 Si2\n1.0\n4.717342 0.000000 0.000000\n0.000000 6.017891 0.000000\n0.000000 0.000000 10.330003\nMg Co Si\n12 2 2\ndirect\n0.500000 0.248854 0.583833 Mg\n0.500000 0.751146 0.583833 Mg\n0.000000 0.258249 0.411658 Mg\n0.000000 0.741751 0.411658 Mg\n0.000000 0.000000 0.674988 Mg\n0.000000 0.000000 0.169581 Mg\n0.500000 0.748854 0.083833 Mg\n0.500000 0.251146 0.083833 Mg\n0.000000 0.758249 0.911658 Mg\n0.000000 0.241751 0.911658 Mg\n0.000000 0.500000 0.174988 Mg\n0.000000 0.500000 0.669581 Mg\n0.500000 0.000000 0.833311 Co\n0.500000 0.500000 0.333311 Co\n0.500000 0.000000 0.331141 Si\n0.500000 0.500000 0.831141 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Si"
],
"chemical_system": "Co-Mg-Si",
"density": 2.637003908187655,
"density_atomic": 0.054560438830079265,
"volume": 293.2527733112581,
"volume_molar": 11.037559244629797,
"formula_full": "Mg12 Co2 Si2",
"formula_reduced": "Mg6CoSi",
"formula_anonymous": "ABC6",
"energy": -41.92379963,
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"spacegroup": 38
},
{
"id": "mp-1100802",
"created_at": "2022-09-04T14:47:57.762531Z",
"structure_string": "Zr8 Mn1 Cu2 P12 O48\n1.0\n9.012767 0.000000 0.000000\n-4.479849 7.860336 0.000000\n-4.499200 -2.631172 14.769885\nZr Mn Cu P O\n8 1 2 12 48\ndirect\n0.140371 0.103722 0.681465 Zr\n0.367028 0.660544 0.572535 Zr\n0.139574 0.592908 0.179243 Zr\n0.349249 0.129301 0.071756 Zr\n0.632972 0.339456 0.427465 Zr\n0.859629 0.896278 0.318535 Zr\n0.650751 0.870699 0.928244 Zr\n0.860426 0.407092 0.820757 Zr\n0.500000 0.500000 0.000000 Mn\n0.084405 0.340888 0.330005 Cu\n0.915595 0.659112 0.669995 Cu\n0.748168 0.764172 0.516749 P\n0.037336 0.623011 0.377920 P\n0.468119 0.989920 0.731381 P\n0.531881 0.010080 0.268619 P\n0.962664 0.376989 0.622080 P\n0.741345 0.276286 0.016428 P\n0.251832 0.235828 0.483251 P\n0.049225 0.140915 0.877532 P\n0.467104 0.479108 0.226792 P\n0.532896 0.520892 0.773208 P\n0.950775 0.859085 0.122468 P\n0.258655 0.723714 0.983572 P\n0.306641 0.425119 0.505161 O\n0.497010 0.619957 0.699080 O\n0.913160 0.844904 0.610013 O\n0.123122 0.520366 0.599764 O\n0.808024 0.862602 0.441774 O\n0.596214 0.779244 0.532819 O\n0.057972 0.534066 0.297406 O\n0.216076 0.698079 0.456528 O\n0.367295 0.826308 0.250244 O\n0.438823 0.891067 0.642933 O\n0.705003 0.009415 0.274830 O\n0.995875 0.231826 0.652509 O\n0.314728 0.915888 0.001493 O\n0.004125 0.768174 0.347491 O\n0.294997 0.990585 0.725170 O\n0.561177 0.108933 0.357067 O\n0.632705 0.173692 0.749756 O\n0.493469 0.101924 0.188357 O\n0.783924 0.301921 0.543472 O\n0.905180 0.364691 0.103490 O\n0.103270 0.001447 0.091432 O\n0.942028 0.465934 0.702594 O\n0.784319 0.361875 0.935442 O\n0.403786 0.220756 0.467181 O\n0.582194 0.292787 0.027593 O\n0.191976 0.137398 0.558226 O\n0.060105 0.056447 0.796333 O\n0.876878 0.479634 0.400236 O\n0.086840 0.155096 0.389987 O\n0.235843 0.223955 0.956493 O\n0.502990 0.380043 0.300920 O\n0.373283 0.333217 0.753262 O\n0.441194 0.394583 0.131193 O\n0.710042 0.526168 0.779425 O\n0.989925 0.714618 0.144865 O\n0.693359 0.574881 0.494839 O\n0.010075 0.285382 0.855135 O\n0.289958 0.473832 0.220575 O\n0.558806 0.605417 0.868807 O\n0.626717 0.666783 0.246738 O\n0.764157 0.776045 0.043507 O\n0.939895 0.943553 0.203667 O\n0.417806 0.707213 0.972407 O\n0.215681 0.638125 0.064558 O\n0.896730 0.998553 0.908568 O\n0.094820 0.635309 0.896510 O\n0.506531 0.898076 0.811643 O\n0.685272 0.084112 0.998507 O\n",
"nsites": 71,
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],
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"formula_full": "Zr8 Mn1 Cu2 P12 O48",
"formula_reduced": "Zr8MnCu2(PO4)12",
"formula_anonymous": "AB2C8D12E48",
"energy": -604.65431911,
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"updated_at": "2021-11-28T01:38:20.760000Z",
"spacegroup": 2
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{
"id": "mp-1222903",
"created_at": "2022-09-04T14:48:02.898748Z",
"structure_string": "La1 Al2 Pt3\n1.0\n2.822771 -4.889182 0.000000\n2.822771 4.889182 0.000000\n0.000000 0.000000 4.003011\nLa Al Pt\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.000000 Al\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 6,
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"formula_full": "La1 Al2 Pt3",
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"energy": -37.25730307,
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},
{
"id": "mp-567306",
"created_at": "2022-09-04T14:47:57.225030Z",
"structure_string": "Li6 Ga14\n1.0\n6.319155 -4.286670 0.000000\n6.319155 4.286670 0.000000\n3.411244 0.000000 6.831593\nLi Ga\n6 14\ndirect\n0.881202 0.470775 0.881202 Li\n0.470775 0.881202 0.881202 Li\n0.529225 0.118798 0.118798 Li\n0.881202 0.881202 0.470775 Li\n0.118798 0.118798 0.529225 Li\n0.118798 0.529225 0.118798 Li\n0.490518 0.175089 0.490518 Ga\n0.703957 0.178535 0.703957 Ga\n0.296043 0.296043 0.821465 Ga\n0.509482 0.824911 0.509482 Ga\n0.703957 0.703957 0.178535 Ga\n0.824911 0.509482 0.509482 Ga\n0.296043 0.821465 0.296043 Ga\n0.075918 0.075918 0.075918 Ga\n0.509482 0.509482 0.824911 Ga\n0.821465 0.296043 0.296043 Ga\n0.175089 0.490518 0.490518 Ga\n0.178535 0.703957 0.703957 Ga\n0.490518 0.490518 0.175089 Ga\n0.924082 0.924082 0.924082 Ga\n",
"nsites": 20,
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"elements": [
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"formula_full": "Li6 Ga14",
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{
"id": "mp-778181",
"created_at": "2022-09-04T14:47:57.918256Z",
"structure_string": "Mn12 O7 F17\n1.0\n4.831847 0.000000 0.000000\n0.215481 5.819783 0.000000\n0.247260 0.165763 15.755820\nMn O F\n12 7 17\ndirect\n0.957259 0.164449 0.588627 Mn\n0.005519 0.832997 0.753908 Mn\n0.044161 0.185477 0.921428 Mn\n0.945620 0.159584 0.247106 Mn\n0.004393 0.855032 0.412110 Mn\n0.970379 0.845149 0.087976 Mn\n0.527937 0.324202 0.418528 Mn\n0.492771 0.361256 0.083887 Mn\n0.510615 0.341483 0.749109 Mn\n0.480234 0.639219 0.912536 Mn\n0.501084 0.646205 0.579466 Mn\n0.532437 0.655618 0.246826 Mn\n0.766105 0.121507 0.694978 O\n0.792137 0.113707 0.359511 O\n0.767406 0.883095 0.198153 O\n0.708484 0.369917 0.528087 O\n0.709268 0.400114 0.186229 O\n0.300012 0.399643 0.977182 O\n0.291566 0.588396 0.807934 O\n0.759853 0.131267 0.030036 F\n0.753456 0.864028 0.865756 F\n0.763046 0.877323 0.522318 F\n0.755306 0.367739 0.852789 F\n0.736466 0.614220 0.691026 F\n0.747923 0.611174 0.362520 F\n0.720770 0.631368 0.017389 F\n0.262287 0.391107 0.644938 F\n0.267463 0.612445 0.465601 F\n0.257436 0.615324 0.137615 F\n0.296591 0.388423 0.308601 F\n0.253666 0.094806 0.806533 F\n0.209761 0.120730 0.482130 F\n0.216877 0.890960 0.632867 F\n0.221778 0.891335 0.979889 F\n0.206538 0.130947 0.142614 F\n0.263396 0.879755 0.303801 F\n",
"nsites": 36,
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],
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"formula_full": "Mn12 O7 F17",
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},
{
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