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{
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"results": [
{
"id": "mp-1207731",
"created_at": "2022-09-04T14:39:57.733058Z",
"structure_string": "Yb4 Mo8 O30\n1.0\n9.994098 0.000000 0.000000\n0.000000 6.766091 0.000000\n0.000000 2.869999 10.527575\nYb Mo O\n4 8 30\ndirect\n0.521006 0.710326 0.224605 Yb\n0.478994 0.289674 0.775395 Yb\n0.021006 0.289674 0.275395 Yb\n0.978994 0.710326 0.724605 Yb\n0.743502 0.418386 0.010293 Mo\n0.256498 0.581614 0.989707 Mo\n0.243502 0.581614 0.489707 Mo\n0.756498 0.418386 0.510293 Mo\n0.907271 0.887950 0.155590 Mo\n0.092729 0.112050 0.844410 Mo\n0.407271 0.112050 0.344410 Mo\n0.592729 0.887950 0.655590 Mo\n0.725066 0.883188 0.149125 O\n0.274934 0.116812 0.850875 O\n0.225066 0.116812 0.350875 O\n0.774934 0.883188 0.649125 O\n0.631566 0.532984 0.101041 O\n0.368434 0.467016 0.898959 O\n0.131566 0.467016 0.398959 O\n0.868434 0.532984 0.601041 O\n0.349727 0.715951 0.079601 O\n0.650273 0.284049 0.920399 O\n0.849727 0.284049 0.420399 O\n0.150273 0.715951 0.579601 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.663726 0.613548 0.402683 O\n0.336274 0.386452 0.597317 O\n0.163726 0.386452 0.097317 O\n0.836274 0.613548 0.902683 O\n0.973625 0.943581 0.291509 O\n0.026375 0.056419 0.708491 O\n0.473625 0.056419 0.208491 O\n0.526375 0.943581 0.791509 O\n0.942340 0.624039 0.180524 O\n0.057660 0.375961 0.819476 O\n0.442340 0.375961 0.319476 O\n0.557660 0.624039 0.680524 O\n0.859673 0.239002 0.116517 O\n0.140327 0.760998 0.883483 O\n0.359673 0.760998 0.383483 O\n0.640327 0.239002 0.616517 O\n",
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"elements": [
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"O"
],
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"formula_full": "Yb4 Mo8 O30",
"formula_reduced": "Yb2Mo4O15",
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"energy": -333.92642491,
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"updated_at": "2021-11-28T01:34:54.816000Z",
"spacegroup": 14
},
{
"id": "mp-1346226",
"created_at": "2022-09-04T14:43:17.946110Z",
"structure_string": "Ca2 Mn4 P8 O28\n1.0\n6.243485 0.139587 0.731388\n0.113280 6.981762 2.833221\n-0.062685 -6.427527 9.696121\nCa Mn P O\n2 4 8 28\ndirect\n0.335175 0.749033 0.177444 Ca\n0.335111 0.248993 0.677454 Ca\n0.849903 0.703202 0.957215 Mn\n0.153604 0.796084 0.537434 Mn\n0.849839 0.203312 0.457198 Mn\n0.153550 0.296176 0.037496 Mn\n0.880556 0.033885 0.176193 P\n0.880536 0.533829 0.676202 P\n0.116036 0.472940 0.320609 P\n0.116134 0.972924 0.820586 P\n0.644444 0.350090 0.099620 P\n0.644445 0.850019 0.599619 P\n0.356838 0.158041 0.393703 P\n0.356899 0.657975 0.893653 P\n0.913023 0.419592 0.376223 O\n0.913048 0.919465 0.876206 O\n0.094267 0.070889 0.117790 O\n0.094237 0.570787 0.617746 O\n0.180138 0.664251 0.372715 O\n0.180073 0.164221 0.872724 O\n0.810098 0.847934 0.117283 O\n0.809970 0.347933 0.617303 O\n0.124920 0.474300 0.187044 O\n0.124980 0.974226 0.687055 O\n0.889565 0.030730 0.307945 O\n0.889657 0.530593 0.807931 O\n0.464570 0.282095 0.023710 O\n0.464643 0.781916 0.523710 O\n0.534620 0.211005 0.475708 O\n0.534677 0.710882 0.975699 O\n0.698087 0.190456 0.171209 O\n0.698118 0.690484 0.671284 O\n0.311660 0.329296 0.333736 O\n0.311747 0.829342 0.833772 O\n0.851175 0.358116 0.019063 O\n0.851245 0.857967 0.519047 O\n0.411573 0.991041 0.300605 O\n0.411624 0.491062 0.800529 O\n0.581308 0.524629 0.187159 O\n0.581318 0.024577 0.687084 O\n0.159155 0.150150 0.482823 O\n0.159193 0.650044 0.982773 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
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"density": 3.084836840817866,
"density_atomic": 0.07836316427616966,
"volume": 535.9661058604324,
"volume_molar": 7.684912695429965,
"formula_full": "Ca2 Mn4 P8 O28",
"formula_reduced": "CaMn2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy": -333.92697896000004,
"energy_per_atom": -7.950642356190477,
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"updated_at": "2021-11-28T01:36:06.008000Z",
"spacegroup": 1
},
{
"id": "mp-757790",
"created_at": "2022-09-04T14:42:17.352174Z",
"structure_string": "Li1 P2 W1 O8\n1.0\n2.684196 4.060824 0.000000\n-2.684196 4.060824 0.000000\n0.000000 0.596041 7.013864\nLi P W O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.661414 0.661414 0.270879 P\n0.338586 0.338586 0.729121 P\n0.000000 0.000000 0.500000 W\n0.764830 0.764830 0.451830 O\n0.763448 0.763448 0.086668 O\n0.781904 0.309393 0.297772 O\n0.309393 0.781904 0.297772 O\n0.690607 0.218096 0.702228 O\n0.218096 0.690607 0.702228 O\n0.236552 0.236552 0.913332 O\n0.235170 0.235170 0.548170 O\n",
"nsites": 12,
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"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.134693382764683,
"density_atomic": 0.07848117883734805,
"volume": 152.9029020431759,
"volume_molar": 7.6733566559708075,
"formula_full": "Li1 P2 W1 O8",
"formula_reduced": "LiP2WO8",
"formula_anonymous": "ABC2D8",
"energy": -95.4080733,
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"updated_at": "2021-11-28T01:35:41.971000Z",
"spacegroup": 12
},
{
"id": "mp-505142",
"created_at": "2022-09-04T14:45:10.784797Z",
"structure_string": "Np2 Si4 Pt4\n1.0\n4.215534 0.000000 0.000000\n0.000000 4.215534 0.000000\n0.000000 0.000000 9.898660\nNp Si Pt\n2 4 4\ndirect\n0.500000 0.000000 0.745973 Np\n0.000000 0.500000 0.254027 Np\n0.500000 0.000000 0.135436 Si\n0.000000 0.500000 0.864564 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.377803 Pt\n0.000000 0.500000 0.622197 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 10,
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"elements": [
"Np",
"Si",
"Pt"
],
"chemical_system": "Np-Pt-Si",
"density": 12.901306730238423,
"density_atomic": 0.056848420143062475,
"volume": 175.90638358699147,
"volume_molar": 10.593330025434161,
"formula_full": "Np2 Si4 Pt4",
"formula_reduced": "Np(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -79.50780098,
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"updated_at": "2021-11-28T01:36:54.787000Z",
"spacegroup": 129
},
{
"id": "mp-850874",
"created_at": "2022-09-04T14:41:26.456904Z",
"structure_string": "Cr19 O48\n1.0\n4.999181 0.000000 0.000000\n-0.025708 10.355989 0.000000\n-0.132914 -0.072164 17.304012\nCr O\n19 48\ndirect\n0.099358 0.253213 0.253207 Cr\n0.205710 0.749133 0.945452 Cr\n0.208481 0.020979 0.658221 Cr\n0.206665 0.473845 0.651478 Cr\n0.246129 0.068194 0.973005 Cr\n0.277905 0.940456 0.475528 Cr\n0.269575 0.527402 0.154411 Cr\n0.279125 0.971851 0.155825 Cr\n0.263916 0.254297 0.445491 Cr\n0.734609 0.753488 0.553511 Cr\n0.718368 0.026213 0.844466 Cr\n0.738747 0.480858 0.843875 Cr\n0.720069 0.440212 0.521880 Cr\n0.750542 0.564028 0.026091 Cr\n0.744381 0.926303 0.028166 Cr\n0.791922 0.524242 0.342356 Cr\n0.791824 0.975348 0.347510 Cr\n0.788797 0.243994 0.056127 Cr\n0.894214 0.748171 0.741175 Cr\n0.052156 0.231783 0.997552 O\n0.047072 0.606779 0.369822 O\n0.063044 0.894949 0.385656 O\n0.114915 0.624929 0.208675 O\n0.108560 0.880676 0.209130 O\n0.115377 0.114568 0.467516 O\n0.050445 0.370061 0.467996 O\n0.077622 0.999957 0.071812 O\n0.068599 0.501469 0.076162 O\n0.129423 0.751612 0.853671 O\n0.124063 0.613283 0.697424 O\n0.119136 0.878165 0.706954 O\n0.327475 0.113964 0.199106 O\n0.315766 0.383007 0.198523 O\n0.322454 0.255278 0.349843 O\n0.391143 0.982807 0.575785 O\n0.429083 0.504644 0.577641 O\n0.401063 0.886403 0.967944 O\n0.416951 0.635547 0.968398 O\n0.404576 0.106458 0.712109 O\n0.361959 0.379867 0.707800 O\n0.442577 0.103958 0.877202 O\n0.462313 0.412698 0.866876 O\n0.457501 0.769568 0.499243 O\n0.542582 0.270604 0.500406 O\n0.557343 0.597103 0.121829 O\n0.556031 0.893212 0.124658 O\n0.595206 0.613299 0.291243 O\n0.636100 0.881569 0.289728 O\n0.582527 0.108730 0.034922 O\n0.624059 0.376776 0.034352 O\n0.573327 0.005389 0.421900 O\n0.604488 0.481696 0.425188 O\n0.673238 0.755797 0.650695 O\n0.687790 0.627011 0.791794 O\n0.673243 0.883888 0.800286 O\n0.879358 0.110564 0.301286 O\n0.868679 0.384586 0.294275 O\n0.877699 0.242293 0.147614 O\n0.910206 0.526185 0.926748 O\n0.914944 0.990018 0.929138 O\n0.886300 0.615021 0.532647 O\n0.947112 0.869579 0.532597 O\n0.899741 0.119049 0.795289 O\n0.918177 0.382878 0.795107 O\n0.954647 0.104056 0.632435 O\n0.933361 0.395351 0.614174 O\n0.925052 0.749298 0.007619 O\n",
"nsites": 67,
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"elements": [
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"O"
],
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"density": 3.254699595085839,
"density_atomic": 0.07478897024734474,
"volume": 895.854024709997,
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"formula_full": "Cr19 O48",
"formula_reduced": "Cr19O48",
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"spacegroup": 1
},
{
"id": "mp-768711",
"created_at": "2022-09-04T14:40:10.851278Z",
"structure_string": "Li4 Cr4 B4 O12\n1.0\n1.999621 4.102718 2.636838\n-5.806993 -0.346345 5.360912\n3.719089 -3.962805 2.575930\nLi Cr B O\n4 4 4 12\ndirect\n0.415941 0.652068 0.962848 Li\n0.915908 0.152142 0.462860 Li\n0.584085 0.347859 0.037140 Li\n0.084058 0.847928 0.537149 Li\n0.401435 0.988098 0.238397 Cr\n0.098579 0.511898 0.261598 Cr\n0.901492 0.488184 0.738566 Cr\n0.598517 0.011827 0.761445 Cr\n0.901939 0.831872 0.091384 B\n0.401915 0.331828 0.591356 B\n0.098085 0.168175 0.908642 B\n0.598053 0.668123 0.408617 B\n0.042962 0.683547 0.023317 O\n0.542876 0.183499 0.523230 O\n0.957124 0.316498 0.976765 O\n0.457027 0.816452 0.476697 O\n0.649807 0.847115 0.003287 O\n0.149786 0.347147 0.503357 O\n0.350217 0.152852 0.996641 O\n0.850187 0.652884 0.496714 O\n0.500157 0.457653 0.752115 O\n0.000083 0.957693 0.252119 O\n0.499917 0.542314 0.247879 O\n0.999848 0.042342 0.747878 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Li4 Cr4 B4 O12",
"formula_reduced": "LiCrBO3",
"formula_anonymous": "ABCD3",
"energy": -190.81892529,
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"updated_at": "2021-11-28T01:34:51.586000Z",
"spacegroup": 2
},
{
"id": "mp-1223182",
"created_at": "2022-09-04T14:41:47.235899Z",
"structure_string": "Li8 Fe8 Mo12 O48\n1.0\n5.232450 0.000000 0.000000\n0.000000 10.735148 0.000000\n0.000000 10.724840 18.024209\nLi Fe Mo O\n8 8 12 48\ndirect\n0.994911 0.049283 0.200623 Li\n0.496898 0.951968 0.300835 Li\n0.503102 0.951968 0.800835 Li\n0.005089 0.049283 0.700623 Li\n0.502617 0.952393 0.471319 Li\n0.497383 0.952393 0.971319 Li\n0.855695 0.499986 0.249161 Li\n0.144305 0.499986 0.749161 Li\n0.001397 0.043984 0.026471 Fe\n0.001516 0.397458 0.527918 Fe\n0.501177 0.605343 0.972433 Fe\n0.998603 0.043984 0.526471 Fe\n0.498823 0.605343 0.472433 Fe\n0.998484 0.397458 0.027918 Fe\n0.352237 0.498461 0.250385 Fe\n0.647763 0.498461 0.750385 Fe\n0.027421 0.129098 0.343552 Mo\n0.527795 0.871686 0.156130 Mo\n0.468769 0.315036 0.656761 Mo\n0.969713 0.684065 0.843212 Mo\n0.472205 0.871686 0.656130 Mo\n0.972579 0.129098 0.843552 Mo\n0.030287 0.684065 0.343212 Mo\n0.531231 0.315036 0.156761 Mo\n0.531266 0.306748 0.441941 Mo\n0.031140 0.692746 0.058339 Mo\n0.968860 0.692746 0.558339 Mo\n0.468734 0.306748 0.941941 Mo\n0.109581 0.320810 0.294852 O\n0.598347 0.679266 0.205057 O\n0.398239 0.409866 0.704582 O\n0.893206 0.590538 0.795327 O\n0.401653 0.679266 0.705057 O\n0.890419 0.320810 0.794852 O\n0.106794 0.590538 0.295327 O\n0.601761 0.409866 0.204582 O\n0.832589 0.089725 0.286105 O\n0.334487 0.910808 0.213283 O\n0.665948 0.163926 0.712069 O\n0.165624 0.835818 0.787120 O\n0.665513 0.910808 0.713283 O\n0.167411 0.089725 0.786105 O\n0.834376 0.835818 0.287120 O\n0.334052 0.163926 0.212069 O\n0.813007 0.247242 0.503209 O\n0.307496 0.750271 0.997790 O\n0.692504 0.750271 0.497790 O\n0.186993 0.247242 0.003209 O\n0.838348 0.086759 0.425525 O\n0.331887 0.915772 0.076478 O\n0.663023 0.433966 0.574522 O\n0.163922 0.564472 0.925464 O\n0.668113 0.915772 0.576478 O\n0.161652 0.086759 0.925525 O\n0.836078 0.564472 0.425464 O\n0.336977 0.433966 0.074522 O\n0.604909 0.404971 0.345274 O\n0.112120 0.595189 0.154740 O\n0.887880 0.595189 0.654740 O\n0.395091 0.404971 0.845274 O\n0.334860 0.422467 0.462141 O\n0.833558 0.576409 0.038083 O\n0.161984 0.846150 0.538569 O\n0.667080 0.155760 0.962404 O\n0.166442 0.576409 0.538083 O\n0.665140 0.422467 0.962141 O\n0.332920 0.155760 0.462404 O\n0.838016 0.846150 0.038569 O\n0.302198 0.014527 0.372814 O\n0.811263 0.987736 0.125545 O\n0.187162 0.260785 0.625743 O\n0.688731 0.738510 0.874225 O\n0.188737 0.987736 0.625545 O\n0.697802 0.014527 0.872814 O\n0.311269 0.738510 0.374225 O\n0.812838 0.260785 0.125743 O\n",
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"elements": [
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],
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"volume": 1012.4400995156193,
"volume_molar": 8.022443145199299,
"formula_full": "Li8 Fe8 Mo12 O48",
"formula_reduced": "Li2Fe2(MoO4)3",
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"energy": -604.2605164199999,
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"spacegroup": 7
},
{
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{
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