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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12134",
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"results": [
{
"id": "mp-1233700",
"created_at": "2022-09-04T14:39:38.589288Z",
"structure_string": "Mg1 Ti2 Zn2 P2 O10\n1.0\n3.728222 0.077699 4.309661\n-3.215305 6.788342 0.103685\n0.183969 0.208559 8.497443\nMg Ti Zn P O\n1 2 2 2 10\ndirect\n0.064692 0.814841 0.080652 Mg\n0.423283 0.463294 0.552809 Ti\n0.497498 0.994401 0.511473 Ti\n0.389809 0.279606 0.252514 Zn\n0.736362 0.824992 0.637494 Zn\n0.520056 0.275479 0.829156 P\n0.460197 0.727788 0.177782 P\n0.767914 0.216830 0.580380 O\n0.400873 0.427564 0.808122 O\n0.300396 0.846905 0.367128 O\n0.527359 0.565746 0.245003 O\n0.162234 0.632528 0.197623 O\n0.901158 0.872795 0.901304 O\n0.769077 0.352675 0.858441 O\n0.129734 0.090815 0.089458 O\n0.557251 0.735873 0.491299 O\n0.465463 0.230405 0.436897 O\n",
"nsites": 17,
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"elements": [
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"volume": 208.82874834262245,
"volume_molar": 7.397624219140525,
"formula_full": "Mg1 Ti2 Zn2 P2 O10",
"formula_reduced": "MgTi2Zn2(PO5)2",
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"energy": -121.56988557,
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"updated_at": "2021-11-28T01:34:25.615000Z",
"spacegroup": 1
},
{
"id": "mp-1177349",
"created_at": "2022-09-04T14:39:38.592175Z",
"structure_string": "Li4 Mn1 V3 P8 O28\n1.0\n7.061017 0.000000 0.000000\n0.076903 8.311108 0.000000\n3.140092 0.022358 9.232375\nLi Mn V P O\n4 1 3 8 28\ndirect\n0.326252 0.862515 0.086383 Li\n0.675466 0.361910 0.411999 Li\n0.324392 0.861923 0.588182 Li\n0.675972 0.361449 0.912253 Li\n0.731482 0.998899 0.892340 Mn\n0.271698 0.499335 0.107029 V\n0.728064 0.999691 0.392814 V\n0.271893 0.499338 0.607864 V\n0.477855 0.179634 0.199670 P\n0.912363 0.784641 0.106901 P\n0.086195 0.284126 0.393369 P\n0.521832 0.680616 0.300028 P\n0.477959 0.179080 0.700787 P\n0.912305 0.783265 0.607991 P\n0.086570 0.285594 0.893845 P\n0.519603 0.680325 0.800651 P\n0.151310 0.325600 0.024464 O\n0.112650 0.696053 0.066733 O\n0.518213 0.037205 0.093718 O\n0.493865 0.342952 0.123547 O\n0.394658 0.677826 0.198596 O\n0.083466 0.433311 0.300035 O\n0.247992 0.153422 0.297531 O\n0.752666 0.654323 0.202097 O\n0.914813 0.933307 0.199077 O\n0.604938 0.177316 0.301633 O\n0.506226 0.843156 0.376756 O\n0.483151 0.538469 0.406506 O\n0.148888 0.324779 0.524562 O\n0.113725 0.696055 0.566129 O\n0.886517 0.196412 0.433194 O\n0.851317 0.825292 0.475481 O\n0.517395 0.038176 0.593618 O\n0.494421 0.342062 0.623710 O\n0.395182 0.675993 0.696986 O\n0.085519 0.434696 0.799749 O\n0.247657 0.154005 0.797906 O\n0.751796 0.654385 0.703001 O\n0.915120 0.932888 0.700180 O\n0.607820 0.176108 0.801149 O\n0.498071 0.841590 0.877400 O\n0.483111 0.536887 0.906030 O\n0.886157 0.201263 0.935523 O\n0.853451 0.825290 0.972584 O\n",
"nsites": 44,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.85429598756785,
"density_atomic": 0.08121066321605713,
"volume": 541.8007716910288,
"volume_molar": 7.415455706818179,
"formula_full": "Li4 Mn1 V3 P8 O28",
"formula_reduced": "Li4MnV3(P2O7)4",
"formula_anonymous": "AB3C4D8E28",
"energy": -344.36236153000004,
"energy_per_atom": -7.826417307500001,
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"band_gap": 0.5625,
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"updated_at": "2021-11-28T01:34:25.132000Z",
"spacegroup": 1
},
{
"id": "mp-1175845",
"created_at": "2022-09-04T14:39:38.832427Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.968742 -0.007977 -2.457522\n-2.031607 6.115411 0.357085\n-0.215563 -0.201414 7.847626\nLi Mn Co O\n9 2 5 16\ndirect\n0.877619 0.062636 0.316289 Li\n0.876308 0.560956 0.810652 Li\n0.130354 0.938714 0.684389 Li\n0.132522 0.443174 0.194820 Li\n0.376906 0.814996 0.070244 Li\n0.372934 0.308245 0.558878 Li\n0.612020 0.688111 0.432772 Li\n0.622365 0.185493 0.936601 Li\n0.253822 0.872363 0.375845 Li\n0.004189 0.004126 0.002752 Mn\n0.754619 0.626287 0.132537 Mn\n0.001317 0.497688 0.498810 Co\n0.248584 0.377396 0.875482 Co\n0.493924 0.750772 0.742048 Co\n0.499627 0.245089 0.251590 Co\n0.745461 0.123677 0.619298 Co\n0.710529 0.901120 0.040382 O\n0.705389 0.398810 0.534378 O\n0.923327 0.751639 0.387936 O\n0.954299 0.274139 0.907958 O\n0.206917 0.649263 0.786306 O\n0.185454 0.146336 0.253103 O\n0.453697 0.519938 0.158727 O\n0.460356 0.027289 0.665138 O\n0.048571 0.228084 0.595295 O\n0.037970 0.724282 0.082545 O\n0.288994 0.098763 0.957855 O\n0.300297 0.587039 0.479766 O\n0.560758 0.988433 0.339716 O\n0.558889 0.490834 0.863616 O\n0.806875 0.862151 0.732728 O\n0.795106 0.352162 0.211544 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.249721202458829,
"density_atomic": 0.11327188901143473,
"volume": 282.506103493777,
"volume_molar": 5.31653600249579,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.96654457,
"energy_per_atom": -6.5302045178125,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.138000Z",
"spacegroup": 1
},
{
"id": "mp-673678",
"created_at": "2022-09-04T14:39:38.831228Z",
"structure_string": "Ba2 In2 O5\n1.0\n6.065624 0.000000 0.000000\n0.000400 6.065928 0.000000\n-3.031540 -3.031372 4.346561\nBa In O\n2 2 5\ndirect\n0.249637 0.750396 0.502534 Ba\n0.746612 0.250711 0.499475 Ba\n0.020652 0.021863 0.040632 In\n0.483213 0.484356 0.965762 In\n0.753115 0.256846 0.009081 O\n0.253362 0.258210 0.504137 O\n0.755553 0.749125 0.999392 O\n0.261861 0.760018 0.010899 O\n0.251535 0.251737 0.002457 O\n",
"nsites": 9,
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"elements": [
"Ba",
"In",
"O"
],
"chemical_system": "Ba-In-O",
"density": 6.0667598734098815,
"density_atomic": 0.056276100160841835,
"volume": 159.92579397430245,
"volume_molar": 10.701062694088993,
"formula_full": "Ba2 In2 O5",
"formula_reduced": "Ba2In2O5",
"formula_anonymous": "A2B2C5",
"energy": -54.53592674,
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"total_magnetization": 8.4e-06,
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"updated_at": "2021-11-28T01:34:25.038000Z",
"spacegroup": 1
},
{
"id": "mp-1225445",
"created_at": "2022-09-04T14:39:38.936458Z",
"structure_string": "Fe1 H8 S2 N1 O10\n1.0\n4.536359 -0.078487 -0.680879\n-0.845702 5.590618 -1.258914\n0.007347 0.274454 8.703883\nFe H S N O\n1 8 2 1 10\ndirect\n0.999713 0.997999 0.001287 Fe\n0.953987 0.343890 0.838125 H\n0.043489 0.654452 0.165323 H\n0.627214 0.276920 0.882044 H\n0.373618 0.722184 0.123162 H\n0.153827 0.893939 0.509711 H\n0.080125 0.166509 0.577565 H\n0.922045 0.021632 0.392333 H\n0.813281 0.923841 0.551103 H\n0.601754 0.299371 0.227371 S\n0.393681 0.701063 0.769444 S\n0.990885 0.001024 0.506735 N\n0.813775 0.217619 0.866905 O\n0.184248 0.778987 0.133953 O\n0.789691 0.104795 0.182777 O\n0.207382 0.889276 0.820316 O\n0.773812 0.536121 0.234963 O\n0.224103 0.460294 0.753393 O\n0.501552 0.270821 0.373136 O\n0.487262 0.740645 0.621859 O\n0.343911 0.263269 0.088297 O\n0.656645 0.729350 0.903199 O\n",
"nsites": 22,
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"elements": [
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"H",
"S",
"N",
"O"
],
"chemical_system": "Fe-H-N-O-S",
"density": 2.260080208792945,
"density_atomic": 0.09913661719851674,
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"volume_molar": 6.074587705510394,
"formula_full": "Fe1 H8 S2 N1 O10",
"formula_reduced": "FeH8S2NO10",
"formula_anonymous": "ABC2D8E10",
"energy": -132.98206816,
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"updated_at": "2021-11-28T01:34:39.240000Z",
"spacegroup": 1
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{
"id": "mp-1046545",
"created_at": "2022-09-04T14:39:40.433710Z",
"structure_string": "Ba2 Tl2 Zn2 Ni3 O10\n1.0\n3.632748 0.000000 0.000000\n-0.000243 3.703488 0.000000\n-1.808953 -1.802145 20.652972\nBa Tl Zn Ni O\n2 2 2 3 10\ndirect\n0.836279 0.896575 0.710356 Ba\n0.159465 0.200910 0.288809 Ba\n0.275114 0.330359 0.559952 Tl\n0.724402 0.772696 0.440917 Tl\n0.055365 0.108688 0.084777 Zn\n0.949085 0.017722 0.915865 Zn\n0.597327 0.645583 0.161108 Ni\n0.400803 0.475207 0.838254 Ni\n0.499207 0.563391 0.997645 Ni\n0.118930 0.662685 0.204428 O\n0.684298 0.720544 0.341702 O\n0.576697 0.128504 0.128108 O\n0.231424 0.240654 0.457138 O\n0.471872 0.045083 0.961657 O\n0.377168 0.955540 0.797313 O\n0.313544 0.367677 0.659449 O\n0.919770 0.497724 0.875527 O\n0.769939 0.781933 0.544159 O\n0.021348 0.587434 0.041870 O\n",
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"formula_full": "Ba2 Tl2 Zn2 Ni3 O10",
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"updated_at": "2021-11-28T01:34:26.526000Z",
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{
"id": "mp-775849",
"created_at": "2022-09-04T14:39:39.003476Z",
"structure_string": "Zr16 N16 O8\n1.0\n5.540734 0.000000 0.000000\n-0.025283 5.782934 0.000000\n0.000008 -0.012769 16.181521\nZr N O\n16 16 8\ndirect\n0.996390 0.795891 0.924426 Zr\n0.987254 0.251448 0.812326 Zr\n0.990699 0.704698 0.428173 Zr\n0.994370 0.250348 0.314781 Zr\n0.507847 0.748866 0.813732 Zr\n0.504976 0.749670 0.314209 Zr\n0.503141 0.205760 0.421587 Zr\n0.504900 0.293712 0.925537 Zr\n0.509343 0.794060 0.571718 Zr\n0.525263 0.703935 0.069591 Zr\n0.481762 0.234337 0.690360 Zr\n0.499054 0.263093 0.186352 Zr\n0.986909 0.292452 0.573853 Zr\n0.002189 0.751912 0.683686 Zr\n0.004746 0.759020 0.186178 Zr\n0.975216 0.201981 0.069720 Zr\n0.158034 0.893118 0.798602 N\n0.153408 0.609169 0.297607 N\n0.206201 0.025383 0.620828 N\n0.344216 0.391047 0.798734 N\n0.349393 0.110476 0.299436 N\n0.650730 0.881545 0.700126 N\n0.645928 0.625202 0.199667 N\n0.632815 0.336403 0.052316 N\n0.704348 0.022855 0.878767 N\n0.704251 0.477210 0.377974 N\n0.795848 0.521814 0.879291 N\n0.796337 0.979758 0.380514 N\n0.858411 0.662756 0.551360 N\n0.867953 0.836819 0.051602 N\n0.854204 0.124538 0.200626 N\n0.847171 0.378020 0.699143 N\n0.150643 0.168040 0.953259 O\n0.152520 0.334433 0.453144 O\n0.196308 0.474472 0.123372 O\n0.307044 0.516382 0.620845 O\n0.304724 0.973969 0.124734 O\n0.351428 0.829171 0.451650 O\n0.350479 0.668054 0.952197 O\n0.643543 0.158182 0.547976 O\n",
"nsites": 40,
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"elements": [
"Zr",
"N",
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],
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"volume": 518.4834257871661,
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"formula_full": "Zr16 N16 O8",
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"energy": -399.42321889,
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{
"id": "mp-1173811",
"created_at": "2022-09-04T14:39:39.036573Z",
"structure_string": "Na8 Al6 Si6 N2 O30\n1.0\n9.151609 0.000000 0.000000\n0.260430 9.242945 0.000000\n0.115913 0.113354 9.277710\nNa Al Si N O\n8 6 6 2 30\ndirect\n0.788981 0.201490 0.812281 Na\n0.209960 0.806300 0.789502 Na\n0.716103 0.734314 0.728927 Na\n0.265184 0.260709 0.734766 Na\n0.776731 0.238656 0.216117 Na\n0.273802 0.743691 0.263780 Na\n0.775957 0.776429 0.232817 Na\n0.194482 0.206819 0.198916 Na\n0.743944 0.500272 0.991998 Al\n0.496621 0.002614 0.752885 Al\n0.001875 0.260555 0.501852 Al\n0.995501 0.764717 0.493462 Al\n0.518877 0.030428 0.251827 Al\n0.234388 0.506942 0.992093 Al\n0.489444 0.258423 0.999434 Si\n0.992231 0.510905 0.740080 Si\n0.256352 0.003950 0.492761 Si\n0.750518 0.024549 0.517301 Si\n0.992021 0.506124 0.246965 Si\n0.483843 0.743686 0.991428 Si\n0.029222 0.110234 0.917982 N\n0.491938 0.495733 0.500085 N\n0.633715 0.652541 0.950635 O\n0.350537 0.360974 0.946258 O\n0.846306 0.465472 0.832484 O\n0.126735 0.552909 0.843040 O\n0.524873 0.150605 0.863713 O\n0.458743 0.839904 0.841443 O\n0.666621 0.972302 0.665815 O\n0.348009 0.039480 0.638415 O\n0.948954 0.657196 0.644874 O\n0.050639 0.374023 0.642845 O\n0.854869 0.157585 0.561292 O\n0.158169 0.858059 0.525683 O\n0.844430 0.882067 0.458620 O\n0.152818 0.147627 0.456277 O\n0.957243 0.362727 0.346152 O\n0.018600 0.655112 0.338431 O\n0.631303 0.088384 0.401172 O\n0.359593 0.970337 0.352783 O\n0.442464 0.179064 0.150322 O\n0.524978 0.737653 0.205016 O\n0.848936 0.536033 0.144799 O\n0.140919 0.469154 0.153964 O\n0.479862 0.874179 0.118990 O\n0.703695 0.008684 0.176225 O\n0.640508 0.346460 0.025370 O\n0.329337 0.664353 0.016136 O\n0.157639 0.055450 0.914330 O\n0.892661 0.845666 0.968897 O\n0.014752 0.806284 0.015370 O\n0.995314 0.183376 0.029595 O\n",
"nsites": 52,
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],
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"volume": 784.7812509534215,
"volume_molar": 9.088582998173825,
"formula_full": "Na8 Al6 Si6 N2 O30",
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"energy": -348.90588841,
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{
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{
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"structure_string": "Sr9 Zn3 Cu2 O14\n1.0\n3.667293 0.000000 0.000000\n-0.000218 11.424831 0.000000\n-1.822705 -1.665177 11.185306\nSr Zn Cu O\n9 3 2 14\ndirect\n0.301738 0.426422 0.611224 Sr\n0.328457 0.084429 0.648477 Sr\n0.313650 0.789822 0.632491 Sr\n0.691586 0.219642 0.379167 Sr\n0.484263 0.175759 0.970393 Sr\n0.494296 0.498015 0.001919 Sr\n0.697156 0.575864 0.392575 Sr\n0.512271 0.811042 0.021537 Sr\n0.689164 0.900674 0.374297 Sr\n0.111701 0.703577 0.223264 Zn\n0.104820 0.039637 0.205278 Zn\n0.886289 0.298587 0.776882 Zn\n0.887246 0.623741 0.788282 Cu\n0.105033 0.376563 0.213568 Cu\n0.793459 0.275515 0.594895 O\n0.196831 0.070315 0.390053 O\n0.021085 0.353614 0.054344 O\n0.909510 0.141250 0.822081 O\n0.188132 0.401355 0.378640 O\n0.403806 0.365051 0.812925 O\n0.793144 0.927581 0.588436 O\n0.202916 0.728565 0.405929 O\n0.582303 0.093051 0.160567 O\n0.804683 0.599206 0.623164 O\n0.968947 0.647699 0.947933 O\n0.428982 0.909384 0.840411 O\n0.085556 0.863285 0.171801 O\n0.594019 0.639782 0.188016 O\n",
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{
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{
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],
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]
}