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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=114",
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"results": [
{
"id": "mp-1373625",
"created_at": "2022-09-04T14:39:33.161994Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n5.150628 0.000000 0.000000\n0.000000 6.026773 0.000000\n0.000000 5.717709 10.286650\nMg Mn O\n4 8 16\ndirect\n0.148683 0.000000 0.250000 Mg\n0.851317 0.000000 0.750000 Mg\n0.511308 0.500000 0.750000 Mg\n0.488692 0.500000 0.250000 Mg\n0.488393 0.765334 0.984443 Mn\n0.488393 0.234666 0.515557 Mn\n0.511607 0.234666 0.015557 Mn\n0.511607 0.765334 0.484443 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.141912 0.843053 0.898417 O\n0.141912 0.156947 0.601583 O\n0.858088 0.156947 0.101583 O\n0.858088 0.843053 0.398417 O\n0.765530 0.649467 0.103282 O\n0.765530 0.350533 0.396718 O\n0.234470 0.350533 0.896718 O\n0.234470 0.649467 0.603282 O\n0.318117 0.365345 0.118669 O\n0.318117 0.634655 0.381331 O\n0.690820 0.127668 0.887827 O\n0.690820 0.872332 0.612173 O\n0.681883 0.634655 0.881331 O\n0.681883 0.365345 0.618669 O\n0.309180 0.872332 0.112173 O\n0.309180 0.127668 0.387827 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.122370867648883,
"density_atomic": 0.08768777484066949,
"volume": 319.31475112553125,
"volume_molar": 6.867708492936848,
"formula_full": "Mg4 Mn8 O16",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -220.60865707,
"energy_per_atom": -7.878880609642857,
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"updated_at": "2021-11-28T01:34:27.293000Z",
"spacegroup": 13
},
{
"id": "mp-680143",
"created_at": "2022-09-04T14:39:33.182020Z",
"structure_string": "Ge18 Pb66 O102\n1.0\n7.457529 0.009228 -0.671732\n-2.736536 20.060858 -0.836253\n-0.000921 -0.007659 22.618643\nGe Pb O\n18 66 102\ndirect\n0.112658 0.222169 0.576698 Ge\n0.114716 0.028709 0.854468 Ge\n0.165259 0.445648 0.423595 Ge\n0.885284 0.971291 0.145532 Ge\n0.517902 0.110182 0.417205 Ge\n0.080035 0.506540 0.845343 Ge\n0.782212 0.359907 0.850403 Ge\n0.834741 0.554352 0.576405 Ge\n0.408212 0.175772 0.853692 Ge\n0.919965 0.493460 0.154657 Ge\n0.217788 0.640093 0.149597 Ge\n0.761378 0.840874 0.855415 Ge\n0.549440 0.305020 0.149937 Ge\n0.591788 0.824228 0.146308 Ge\n0.482098 0.889818 0.582795 Ge\n0.450560 0.694980 0.850063 Ge\n0.887342 0.777831 0.423302 Ge\n0.238622 0.159126 0.144585 Ge\n0.088535 0.416235 0.995097 Pb\n0.307458 0.460555 0.722032 Pb\n0.918953 0.884608 0.294297 Pb\n0.111771 0.710189 0.298741 Pb\n0.252221 0.749073 0.008049 Pb\n0.660014 0.622248 0.720133 Pb\n0.947562 0.611250 0.420752 Pb\n0.319767 0.274407 0.413437 Pb\n0.680233 0.725593 0.586563 Pb\n0.408317 0.883175 0.281159 Pb\n0.588480 0.519287 0.862940 Pb\n0.293781 0.953659 0.726848 Pb\n0.287622 0.351566 0.863859 Pb\n0.629891 0.015425 0.863416 Pb\n0.712378 0.648434 0.136141 Pb\n0.986561 0.787798 0.721539 Pb\n0.013439 0.212202 0.278461 Pb\n0.832435 0.370620 0.301247 Pb\n0.920942 0.196384 0.862060 Pb\n0.512652 0.377685 0.572100 Pb\n0.434987 0.286158 0.718124 Pb\n0.692542 0.539445 0.277968 Pb\n0.339986 0.377752 0.279867 Pb\n0.585364 0.417846 0.007637 Pb\n0.706219 0.046341 0.273152 Pb\n0.370109 0.984575 0.136584 Pb\n0.411520 0.480713 0.137060 Pb\n0.913650 0.086902 0.006635 Pb\n0.565013 0.713842 0.281876 Pb\n0.166339 0.725478 0.557667 Pb\n0.081047 0.115392 0.705703 Pb\n0.221585 0.954814 0.441805 Pb\n0.643537 0.456173 0.424530 Pb\n0.167565 0.629380 0.698753 Pb\n0.789143 0.454694 0.703859 Pb\n0.747843 0.149822 0.134652 Pb\n0.052438 0.388750 0.579248 Pb\n0.987007 0.877344 0.578503 Pb\n0.717033 0.953353 0.414685 Pb\n0.414636 0.582154 0.992363 Pb\n0.210857 0.545306 0.296141 Pb\n0.356463 0.543827 0.575470 Pb\n0.252157 0.850178 0.865348 Pb\n0.754887 0.748495 0.997484 Pb\n0.051050 0.323546 0.136935 Pb\n0.591683 0.116825 0.718841 Pb\n0.487348 0.622315 0.427900 Pb\n0.086350 0.913098 0.993365 Pb\n0.888229 0.289811 0.701259 Pb\n0.410730 0.081477 0.997755 Pb\n0.522625 0.213399 0.288328 Pb\n0.199145 0.048085 0.286017 Pb\n0.477375 0.786601 0.711672 Pb\n0.833661 0.274522 0.442333 Pb\n0.948950 0.676454 0.863065 Pb\n0.800855 0.951915 0.713983 Pb\n0.282967 0.046647 0.585315 Pb\n0.589270 0.918523 0.002245 Pb\n0.079058 0.803616 0.137940 Pb\n0.012993 0.122656 0.421497 Pb\n0.584566 0.202631 0.574725 Pb\n0.245113 0.251505 0.002516 Pb\n0.778415 0.045186 0.558195 Pb\n0.747779 0.250927 0.991951 Pb\n0.911465 0.583765 0.004903 Pb\n0.415434 0.797369 0.425275 Pb\n0.299163 0.688152 0.216015 O\n0.239042 0.302249 0.601012 O\n0.362355 0.477242 0.038786 O\n0.968689 0.591312 0.315706 O\n0.920299 0.431105 0.823931 O\n0.392081 0.783659 0.321190 O\n0.623947 0.179360 0.893236 O\n0.277666 0.234057 0.883469 O\n0.313398 0.058379 0.689767 O\n0.590780 0.773418 0.869179 O\n0.976907 0.105230 0.310659 O\n0.267569 0.483845 0.890215 O\n0.879925 0.791826 0.499756 O\n0.315409 0.854512 0.963144 O\n0.423626 0.903403 0.395606 O\n0.641830 0.060340 0.372950 O\n0.926910 0.433323 0.402129 O\n0.385751 0.565638 0.682105 O\n0.197951 0.962740 0.891641 O\n0.969118 0.193333 0.960976 O\n0.552394 0.633748 0.888647 O\n0.031311 0.408688 0.684294 O\n0.637645 0.522758 0.961214 O\n0.358170 0.939660 0.627050 O\n0.706224 0.730767 0.691394 O\n0.030882 0.806667 0.039024 O\n0.604741 0.390310 0.885889 O\n0.043889 0.437428 0.117649 O\n0.397389 0.056270 0.464205 O\n0.308074 0.357991 0.962110 O\n0.802049 0.037260 0.108359 O\n0.040021 0.178368 0.103468 O\n0.981235 0.773484 0.616415 O\n0.576374 0.096597 0.604394 O\n0.741167 0.475507 0.601149 O\n0.108360 0.769466 0.400289 O\n0.018765 0.226516 0.383585 O\n0.376053 0.820640 0.106764 O\n0.594801 0.821984 0.224728 O\n0.930349 0.061805 0.883482 O\n0.073090 0.566677 0.597871 O\n0.433546 0.683129 0.771032 O\n0.334548 0.707129 0.641563 O\n0.639558 0.849139 0.627769 O\n0.956111 0.562572 0.882351 O\n0.690135 0.907798 0.130795 O\n0.139176 0.532628 0.775143 O\n0.654469 0.351757 0.663274 O\n0.602611 0.943730 0.535795 O\n0.409220 0.226582 0.130821 O\n0.667214 0.908794 0.886652 O\n0.345531 0.648243 0.336726 O\n0.614249 0.434362 0.317895 O\n0.079701 0.568895 0.176069 O\n0.747373 0.617758 0.619129 O\n0.924153 0.315032 0.895789 O\n0.023093 0.894770 0.689341 O\n0.917794 0.026735 0.646511 O\n0.405199 0.178016 0.775272 O\n0.311782 0.831545 0.540847 O\n0.228121 0.442020 0.500169 O\n0.360442 0.150861 0.372231 O\n0.309865 0.092202 0.869205 O\n0.891640 0.230534 0.599711 O\n0.063165 0.011857 0.776126 O\n0.750572 0.285116 0.121785 O\n0.252627 0.382242 0.380871 O\n0.700837 0.311848 0.783985 O\n0.120075 0.208174 0.500244 O\n0.370626 0.974871 0.038909 O\n0.760958 0.697751 0.398988 O\n0.038517 0.314235 0.039006 O\n0.771879 0.557980 0.499831 O\n0.332851 0.442373 0.617353 O\n0.395259 0.609690 0.114111 O\n0.959979 0.821632 0.896532 O\n0.684591 0.145488 0.036856 O\n0.075847 0.684968 0.104211 O\n0.332786 0.091206 0.113348 O\n0.722334 0.765943 0.116531 O\n0.211528 0.153643 0.220937 O\n0.686602 0.941621 0.310233 O\n0.936835 0.988143 0.223874 O\n0.961483 0.685765 0.960994 O\n0.788472 0.846357 0.779063 O\n0.205787 0.159376 0.618419 O\n0.607919 0.216341 0.678810 O\n0.732431 0.516155 0.109785 O\n0.688218 0.168455 0.459153 O\n0.069651 0.938195 0.116518 O\n0.082206 0.973265 0.353489 O\n0.293776 0.269233 0.308606 O\n0.665452 0.292871 0.358437 O\n0.794213 0.840624 0.381581 O\n0.667149 0.557627 0.382647 O\n0.566454 0.316871 0.228968 O\n0.629374 0.025129 0.961091 O\n0.860824 0.467372 0.224857 O\n0.447606 0.366252 0.111353 O\n0.258833 0.524493 0.398851 O\n0.249428 0.714884 0.878215 O\n0.691926 0.642009 0.037890 O\n",
"nsites": 186,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 8.152029640875607,
"density_atomic": 0.05495891747645135,
"volume": 3384.3461359968887,
"volume_molar": 10.957531619105037,
"formula_full": "Ge18 Pb66 O102",
"formula_reduced": "Ge3Pb11O17",
"formula_anonymous": "A3B11C17",
"energy": -1146.38460823,
"energy_per_atom": -6.163358108763441,
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"updated_at": "2021-11-28T01:34:30.455000Z",
"spacegroup": 2
},
{
"id": "mp-18258",
"created_at": "2022-09-04T14:39:06.364374Z",
"structure_string": "Ba4 Tb8 O16\n1.0\n3.503560 0.000000 0.000000\n0.000000 10.543177 0.000000\n0.000000 0.000000 12.267241\nBa Tb O\n4 8 16\ndirect\n0.750000 0.746863 0.851354 Ba\n0.250000 0.253137 0.148646 Ba\n0.750000 0.246863 0.648646 Ba\n0.250000 0.753137 0.351354 Ba\n0.250000 0.425837 0.388934 Tb\n0.750000 0.574163 0.611066 Tb\n0.250000 0.925837 0.111066 Tb\n0.750000 0.074163 0.888934 Tb\n0.750000 0.077566 0.390464 Tb\n0.250000 0.922434 0.609536 Tb\n0.750000 0.577566 0.109536 Tb\n0.250000 0.422434 0.890464 Tb\n0.250000 0.429497 0.574267 O\n0.750000 0.570503 0.425733 O\n0.250000 0.929497 0.925733 O\n0.750000 0.070503 0.074267 O\n0.250000 0.518803 0.217231 O\n0.750000 0.481197 0.782769 O\n0.250000 0.018803 0.282769 O\n0.750000 0.981197 0.717231 O\n0.250000 0.115865 0.518481 O\n0.750000 0.884135 0.481519 O\n0.250000 0.615865 0.981519 O\n0.750000 0.384135 0.018481 O\n0.750000 0.290508 0.339860 O\n0.250000 0.709492 0.660140 O\n0.750000 0.790508 0.160140 O\n0.250000 0.209492 0.839860 O\n",
"nsites": 28,
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"density": 7.6101839934745135,
"density_atomic": 0.0617916905211556,
"volume": 453.1353611439656,
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"formula_full": "Ba4 Tb8 O16",
"formula_reduced": "BaTb2O4",
"formula_anonymous": "AB2C4",
"energy": -226.50883607000003,
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"updated_at": "2021-11-28T01:34:43.566000Z",
"spacegroup": 62
},
{
"id": "mp-1522159",
"created_at": "2022-09-04T14:39:33.367157Z",
"structure_string": "Ba1 Sr1 Fe1 Bi1 O6\n1.0\n0.000000 -4.155163 -4.155163\n4.155163 -0.000000 -4.155163\n4.155163 -4.155163 0.000000\nBa Sr Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Bi\n0.743951 0.256049 0.256049 O\n0.256049 0.743951 0.743951 O\n0.743951 0.256049 0.743951 O\n0.256049 0.743951 0.256049 O\n0.743951 0.743951 0.256049 O\n0.256049 0.256049 0.743951 O\n",
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],
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"density": 6.779242081675727,
"density_atomic": 0.06969567186930248,
"volume": 143.4809326288238,
"volume_molar": 8.64062372666854,
"formula_full": "Ba1 Sr1 Fe1 Bi1 O6",
"formula_reduced": "BaSrFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.75054337,
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"total_magnetization": 5.0,
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"updated_at": "2021-11-28T01:34:25.751000Z",
"spacegroup": 216
},
{
"id": "mp-1039365",
"created_at": "2022-09-04T14:39:33.329631Z",
"structure_string": "Ce4 Mg4\n1.0\n7.311832 0.000000 -0.000000\n0.000000 7.311832 0.000000\n-0.000000 -0.000000 7.311832\nCe Mg\n4 4\ndirect\n0.000000 -0.000000 -0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.250000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 8,
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"elements": [
"Ce",
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],
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"density": 2.793751419574261,
"density_atomic": 0.020464982335516947,
"volume": 390.91164941374086,
"volume_molar": 29.426562218666486,
"formula_full": "Ce4 Mg4",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -19.20142026,
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"updated_at": "2021-11-28T01:34:33.307000Z",
"spacegroup": 216
},
{
"id": "mp-1019581",
"created_at": "2022-09-04T14:39:33.344186Z",
"structure_string": "Ca4 S12 O40\n1.0\n9.209994 0.000000 0.000000\n0.000000 8.617530 0.000000\n0.000000 8.352521 10.253194\nCa S O\n4 12 40\ndirect\n0.225518 0.225913 0.476552 Ca\n0.274482 0.225913 0.976552 Ca\n0.774482 0.774087 0.523448 Ca\n0.725518 0.774087 0.023448 Ca\n0.833260 0.350768 0.499157 S\n0.666740 0.350768 0.999157 S\n0.166740 0.649232 0.500843 S\n0.333260 0.649232 0.000843 S\n0.923375 0.944202 0.712456 S\n0.576625 0.944202 0.212456 S\n0.076625 0.055798 0.287544 S\n0.423375 0.055798 0.787544 S\n0.613647 0.295004 0.361159 S\n0.886353 0.295004 0.861159 S\n0.386353 0.704996 0.638841 S\n0.113647 0.704996 0.138841 S\n0.073902 0.997551 0.672322 O\n0.426098 0.997551 0.172322 O\n0.926098 0.002449 0.327678 O\n0.573902 0.002449 0.827678 O\n0.934615 0.320479 0.430411 O\n0.565385 0.320479 0.930411 O\n0.065385 0.679521 0.569589 O\n0.434615 0.679521 0.069589 O\n0.838475 0.530345 0.484565 O\n0.661525 0.530345 0.984565 O\n0.161525 0.469655 0.515435 O\n0.338475 0.469655 0.015435 O\n0.894212 0.839437 0.848531 O\n0.605788 0.839437 0.348531 O\n0.105788 0.160563 0.151469 O\n0.394212 0.160563 0.651469 O\n0.671531 0.332297 0.469909 O\n0.828469 0.332297 0.969909 O\n0.328469 0.667703 0.530091 O\n0.171531 0.667703 0.030091 O\n0.844384 0.173333 0.650667 O\n0.655616 0.173333 0.150667 O\n0.155616 0.826667 0.349333 O\n0.344384 0.826667 0.849333 O\n0.843680 0.876680 0.652111 O\n0.656320 0.876680 0.152111 O\n0.156320 0.123320 0.347889 O\n0.343680 0.123320 0.847889 O\n0.460316 0.323853 0.367250 O\n0.039684 0.323853 0.867250 O\n0.539684 0.676147 0.632750 O\n0.960316 0.676147 0.132750 O\n0.685796 0.450863 0.240474 O\n0.814204 0.450863 0.740474 O\n0.314204 0.549137 0.759526 O\n0.185796 0.549137 0.259526 O\n0.658696 0.093359 0.421534 O\n0.841304 0.093359 0.921534 O\n0.341304 0.906641 0.578466 O\n0.158696 0.906641 0.078466 O\n",
"nsites": 56,
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"elements": [
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"S",
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],
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"density": 2.418193462179112,
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"volume": 813.769345321211,
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"formula_full": "Ca4 S12 O40",
"formula_reduced": "CaS3O10",
"formula_anonymous": "AB3C10",
"energy": -372.45963343,
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