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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=49",
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"results": [
{
"id": "mp-1094308",
"created_at": "2022-09-04T14:39:59.062745Z",
"structure_string": "Sr3 Mg3\n1.0\n2.059845 -9.110419 0.000000\n2.059845 9.110419 0.000000\n0.000000 0.000000 5.954924\nSr Mg\n3 3\ndirect\n0.970713 0.029287 0.000000 Sr\n0.657863 0.342137 0.000000 Sr\n0.804170 0.195830 0.500000 Sr\n0.318779 0.681221 0.000000 Mg\n0.108633 0.891367 0.500000 Mg\n0.473176 0.526824 0.500000 Mg\n",
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"elements": [
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"volume": 223.50081526864926,
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"formula_full": "Sr3 Mg3",
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"updated_at": "2021-11-28T01:34:43.956000Z",
"spacegroup": 38
},
{
"id": "mp-28256",
"created_at": "2022-09-04T14:39:59.068680Z",
"structure_string": "V4 Se18\n1.0\n6.688082 5.466583 0.000000\n-6.688082 5.466583 0.000000\n0.000000 1.441072 8.402840\nV Se\n4 18\ndirect\n0.400382 0.863917 0.085174 V\n0.136083 0.599618 0.414826 V\n0.599618 0.136083 0.914826 V\n0.863917 0.400382 0.585174 V\n0.393843 0.698693 0.528460 Se\n0.301307 0.606157 0.971540 Se\n0.704804 0.101547 0.620531 Se\n0.898453 0.295196 0.879469 Se\n0.295196 0.898453 0.379469 Se\n0.101547 0.704804 0.120531 Se\n0.138635 0.327691 0.556864 Se\n0.672309 0.861365 0.943136 Se\n0.861365 0.672309 0.443136 Se\n0.327691 0.138635 0.056864 Se\n0.006276 0.333813 0.334952 Se\n0.666187 0.993724 0.165048 Se\n0.993724 0.666187 0.665048 Se\n0.333813 0.006276 0.834952 Se\n0.698693 0.393843 0.028460 Se\n0.606157 0.301307 0.471540 Se\n0.406059 0.593941 0.250000 Se\n0.593941 0.406059 0.750000 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"V",
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],
"chemical_system": "Se-V",
"density": 4.391785606548755,
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"volume": 614.4317163384071,
"volume_molar": 16.81906492362854,
"formula_full": "V4 Se18",
"formula_reduced": "V2Se9",
"formula_anonymous": "A2B9",
"energy": -116.76624142,
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"updated_at": "2021-11-28T01:34:55.452000Z",
"spacegroup": 15
},
{
"id": "mp-773105",
"created_at": "2022-09-04T14:39:58.852357Z",
"structure_string": "Li2 Zr7 Fe1 P12 O48\n1.0\n8.984931 0.000000 0.000000\n-0.007070 9.075937 0.000000\n-0.003851 -0.025595 12.546390\nLi Zr Fe P O\n2 7 1 12 48\ndirect\n0.784002 0.777068 0.819238 Li\n0.780481 0.720788 0.188055 Li\n0.251665 0.467068 0.620536 Zr\n0.252174 0.037499 0.376824 Zr\n0.251805 0.964598 0.881590 Zr\n0.251257 0.534762 0.120096 Zr\n0.747538 0.453244 0.883162 Zr\n0.747185 0.045814 0.122295 Zr\n0.748278 0.972346 0.612880 Zr\n0.748830 0.535999 0.385811 Fe\n0.032263 0.750629 0.493857 P\n0.103383 0.608951 0.857216 P\n0.103595 0.890516 0.144111 P\n0.403799 0.393288 0.357824 P\n0.387808 0.106080 0.643114 P\n0.458053 0.249569 0.001257 P\n0.542677 0.749397 0.999762 P\n0.605134 0.881741 0.354338 P\n0.616633 0.606598 0.644645 P\n0.887589 0.401153 0.150889 P\n0.892490 0.101285 0.857429 P\n0.963644 0.256940 0.493892 P\n0.060745 0.352112 0.568394 O\n0.063893 0.161442 0.422678 O\n0.061530 0.089048 0.848044 O\n0.057670 0.417271 0.159557 O\n0.130397 0.851327 0.425534 O\n0.130840 0.648875 0.561562 O\n0.155181 0.562053 0.968625 O\n0.154978 0.935385 0.032280 O\n0.151443 0.768292 0.833389 O\n0.156179 0.732941 0.169153 O\n0.170784 0.504885 0.772509 O\n0.169153 0.000977 0.225270 O\n0.321034 0.000996 0.726100 O\n0.336466 0.496170 0.273154 O\n0.362401 0.231079 0.335490 O\n0.344744 0.267537 0.666331 O\n0.345103 0.437367 0.468268 O\n0.331434 0.062564 0.531911 O\n0.361120 0.155650 0.927555 O\n0.357450 0.341997 0.073609 O\n0.435347 0.899424 0.347458 O\n0.444970 0.595240 0.648991 O\n0.445854 0.854840 0.933767 O\n0.444751 0.643768 0.064906 O\n0.557030 0.350227 0.931813 O\n0.557888 0.150683 0.071690 O\n0.574988 0.409264 0.353876 O\n0.559267 0.091078 0.648255 O\n0.645858 0.664334 0.920905 O\n0.647557 0.834081 0.077467 O\n0.657410 0.921605 0.468112 O\n0.671810 0.572622 0.532128 O\n0.667637 0.764715 0.678788 O\n0.655614 0.723854 0.324792 O\n0.681044 0.497815 0.727420 O\n0.679331 0.988590 0.274257 O\n0.820660 0.989619 0.777074 O\n0.816021 0.513294 0.229190 O\n0.844400 0.260173 0.831160 O\n0.842555 0.240182 0.175511 O\n0.832983 0.440247 0.037472 O\n0.838443 0.061217 0.970270 O\n0.865407 0.357233 0.424840 O\n0.862428 0.156631 0.562506 O\n0.930746 0.894010 0.152604 O\n0.930399 0.602465 0.849629 O\n0.934565 0.845212 0.567883 O\n0.935042 0.654273 0.419005 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
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"Zr",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-Zr",
"density": 2.9992635355239035,
"density_atomic": 0.06841841954606913,
"volume": 1023.1162962316885,
"volume_molar": 8.80192907108155,
"formula_full": "Li2 Zr7 Fe1 P12 O48",
"formula_reduced": "Li2Zr7Fe(PO4)12",
"formula_anonymous": "AB2C7D12E48",
"energy": -584.8384829299999,
"energy_per_atom": -8.35483547042857,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -549.60648293,
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"updated_at": "2021-11-28T01:34:44.459000Z",
"spacegroup": 1
},
{
"id": "mp-1307235",
"created_at": "2022-09-04T14:39:58.863782Z",
"structure_string": "Ca4 Mn4 Zn4 As8 H12 O40\n1.0\n4.071979 3.219914 -2.042509\n12.082437 -15.969443 1.219916\n0.004379 -0.032974 -7.465579\nCa Mn Zn As H O\n4 4 4 8 12 40\ndirect\n0.250555 0.250260 0.251118 Ca\n0.500636 0.500292 0.501684 Ca\n0.753162 0.749537 0.747030 Ca\n0.002423 0.999577 0.996712 Ca\n0.004556 0.500537 0.002921 Mn\n0.255825 0.749167 0.247978 Mn\n0.755745 0.250402 0.753763 Mn\n0.506815 0.999082 0.498441 Mn\n0.128056 0.127643 0.630894 Zn\n0.376474 0.378562 0.887773 Zn\n0.628957 0.627677 0.131891 Zn\n0.880455 0.876847 0.374899 Zn\n0.734553 0.147283 0.347784 As\n0.978376 0.399654 0.607457 As\n0.228764 0.648933 0.854529 As\n0.484537 0.896567 0.095168 As\n0.519729 0.102847 0.902628 As\n0.769908 0.353759 0.154876 As\n0.026683 0.601462 0.395383 As\n0.277480 0.850447 0.642409 As\n0.261351 0.049594 0.302307 H\n0.511658 0.300311 0.553765 H\n0.757832 0.549072 0.804730 H\n0.008091 0.798209 0.052739 H\n0.994170 0.203189 0.938450 H\n0.246227 0.455327 0.189629 H\n0.496947 0.704445 0.437025 H\n0.744561 0.952468 0.686052 H\n0.038271 0.006133 0.484606 H\n0.288947 0.257221 0.736463 H\n0.535159 0.507179 0.987583 H\n0.785162 0.756030 0.235166 H\n0.421549 0.171358 0.407418 O\n0.665594 0.422312 0.661732 O\n0.916669 0.672606 0.910159 O\n0.172202 0.921614 0.155872 O\n0.740365 0.059909 0.309708 O\n0.991890 0.312452 0.570111 O\n0.241096 0.562019 0.817191 O\n0.489473 0.809518 0.057371 O\n0.831855 0.078504 0.842067 O\n0.081193 0.328340 0.093402 O\n0.337786 0.577364 0.339738 O\n0.589474 0.827511 0.587950 O\n0.512612 0.190233 0.938810 O\n0.762329 0.440815 0.190462 O\n0.011400 0.688377 0.430856 O\n0.262310 0.937702 0.678520 O\n0.857050 0.171238 0.525955 O\n0.098185 0.425760 0.788901 O\n0.348203 0.674080 0.036880 O\n0.606569 0.919707 0.274195 O\n0.391171 0.078209 0.727690 O\n0.642000 0.329622 0.979170 O\n0.903916 0.575524 0.214938 O\n0.153732 0.823885 0.463001 O\n0.943598 0.185025 0.153220 O\n0.191357 0.435640 0.412167 O\n0.440040 0.686138 0.660715 O\n0.692014 0.935433 0.902083 O\n0.310153 0.065258 0.098428 O\n0.561925 0.315017 0.349221 O\n0.814342 0.564387 0.590097 O\n0.063536 0.814595 0.838619 O\n0.208262 0.036083 0.444681 O\n0.458457 0.287071 0.696502 O\n0.706678 0.536991 0.945686 O\n0.957056 0.785865 0.193325 O\n0.048211 0.216289 0.799394 O\n0.296972 0.466861 0.051081 O\n0.547858 0.715685 0.298142 O\n0.798852 0.965304 0.546691 O\n",
"nsites": 72,
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"elements": [
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"Mn",
"Zn",
"As",
"H",
"O"
],
"chemical_system": "As-Ca-H-Mn-O-Zn",
"density": 4.047109337882214,
"density_atomic": 0.09269250680783793,
"volume": 776.7618168884369,
"volume_molar": 6.496901386521545,
"formula_full": "Ca4 Mn4 Zn4 As8 H12 O40",
"formula_reduced": "CaMnZnAs2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy": -463.13172843,
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"updated_at": "2021-11-28T01:35:05.729000Z",
"spacegroup": 1
},
{
"id": "mp-1046375",
"created_at": "2022-09-04T14:39:58.870976Z",
"structure_string": "Sr4 Mg4 Co4 P8 O32\n1.0\n-3.936296 -6.283314 3.511005\n6.916033 -6.354606 1.364746\n-1.491319 6.277449 6.936290\nSr Mg Co P O\n4 4 4 8 32\ndirect\n0.997892 0.251317 0.052110 Sr\n0.498096 0.752772 0.053443 Sr\n0.501846 0.248891 0.947820 Sr\n0.001865 0.747650 0.946939 Sr\n0.138095 0.127067 0.655065 Mg\n0.637253 0.625929 0.655407 Mg\n0.362068 0.372712 0.344725 Mg\n0.862777 0.874042 0.344365 Mg\n0.037139 0.674704 0.563472 Co\n0.462100 0.825222 0.436304 Co\n0.536921 0.173169 0.562882 Co\n0.963763 0.326971 0.437722 Co\n0.209266 0.601869 0.238019 P\n0.708687 0.102469 0.237372 P\n0.290927 0.897967 0.762069 P\n0.791333 0.397556 0.762530 P\n0.216147 0.059039 0.304056 P\n0.717822 0.560011 0.303674 P\n0.283610 0.441088 0.696034 P\n0.782231 0.940043 0.696314 P\n0.251745 0.081131 0.878560 O\n0.751487 0.580762 0.878551 O\n0.248278 0.418781 0.121493 O\n0.748755 0.919108 0.121567 O\n0.038315 0.691403 0.203918 O\n0.536894 0.190525 0.202543 O\n0.462120 0.808556 0.796132 O\n0.962945 0.309008 0.796999 O\n0.151334 0.814349 0.765907 O\n0.652018 0.313403 0.765514 O\n0.348936 0.685204 0.233788 O\n0.847957 0.186547 0.234388 O\n0.310069 0.267109 0.688772 O\n0.809739 0.766867 0.690991 O\n0.189808 0.233168 0.311643 O\n0.690309 0.733300 0.309102 O\n0.414142 0.422845 0.577208 O\n0.911979 0.920765 0.576212 O\n0.085395 0.077301 0.422695 O\n0.588287 0.578928 0.423786 O\n0.307803 0.562614 0.867171 O\n0.807301 0.062599 0.866793 O\n0.191928 0.937578 0.132891 O\n0.692702 0.437548 0.133076 O\n0.214814 0.596640 0.401733 O\n0.712445 0.097372 0.401027 O\n0.285445 0.903586 0.598409 O\n0.787377 0.402627 0.598904 O\n0.899296 0.515869 0.364497 O\n0.397257 0.014809 0.365051 O\n0.600853 0.983932 0.635428 O\n0.102430 0.485276 0.634929 O\n",
"nsites": 52,
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"elements": [
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"volume": 640.5908708553127,
"volume_molar": 7.41870844973399,
"formula_full": "Sr4 Mg4 Co4 P8 O32",
"formula_reduced": "SrMgCo(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -391.01495656,
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"updated_at": "2021-11-28T01:34:42.349000Z",
"spacegroup": 2
},
{
"id": "mp-757738",
"created_at": "2022-09-04T14:39:58.874878Z",
"structure_string": "Fe19 Co5 O32\n1.0\n6.021227 6.029979 0.000000\n-6.021227 6.029979 0.000000\n0.000000 5.933836 8.530145\nFe Co O\n19 5 32\ndirect\n0.316136 0.814963 0.620957 Fe\n0.814963 0.316136 0.620957 Fe\n0.000000 0.000000 0.500000 Fe\n0.683864 0.185037 0.379043 Fe\n0.185037 0.683864 0.379043 Fe\n0.870744 0.625290 0.250111 Fe\n0.126798 0.374139 0.248292 Fe\n0.374139 0.126798 0.248292 Fe\n0.625290 0.870744 0.250111 Fe\n0.555189 0.555189 0.134069 Fe\n0.059326 0.059326 0.126262 Fe\n0.250313 0.749687 0.000000 Fe\n0.749687 0.250313 0.000000 Fe\n0.444811 0.444811 0.865931 Fe\n0.940674 0.940674 0.873738 Fe\n0.873202 0.625861 0.751708 Fe\n0.374710 0.129256 0.749889 Fe\n0.625861 0.873202 0.751708 Fe\n0.129256 0.374710 0.749889 Fe\n0.750170 0.750170 0.499074 Co\n0.500000 0.500000 0.500000 Co\n0.249830 0.249830 0.500926 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.756863 0.987257 0.502511 O\n0.987257 0.756863 0.502511 O\n0.484995 0.249371 0.504777 O\n0.249371 0.484995 0.504777 O\n0.243137 0.012743 0.497489 O\n0.012743 0.243137 0.497489 O\n0.515005 0.750629 0.495223 O\n0.750629 0.515005 0.495223 O\n0.128021 0.128021 0.266272 O\n0.853243 0.853243 0.271536 O\n0.634916 0.634916 0.256844 O\n0.350947 0.350947 0.271950 O\n0.881458 0.379704 0.256772 O\n0.379704 0.881458 0.256772 O\n0.123557 0.621817 0.243570 O\n0.621817 0.123557 0.243570 O\n0.503340 0.236441 0.016849 O\n0.004452 0.736104 0.017744 O\n0.236441 0.503340 0.016849 O\n0.736104 0.004452 0.017744 O\n0.263896 0.995548 0.982256 O\n0.763559 0.496660 0.983151 O\n0.496660 0.763559 0.983151 O\n0.995548 0.263896 0.982256 O\n0.378183 0.876443 0.756430 O\n0.876443 0.378183 0.756430 O\n0.620296 0.118542 0.743228 O\n0.118542 0.620296 0.743228 O\n0.649053 0.649053 0.728050 O\n0.871979 0.871979 0.733728 O\n0.365084 0.365084 0.743156 O\n0.146757 0.146757 0.728464 O\n",
"nsites": 56,
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"elements": [
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"density": 5.0069057884888,
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"formula_full": "Fe19 Co5 O32",
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},
{
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