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{
"id": "mp-1177897",
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"structure_string": "Li6 Mn3 Fe3 B6 O18\n1.0\n4.110848 -7.120197 0.000000\n4.110848 7.120197 0.000000\n0.000000 0.000000 6.339369\nLi Mn Fe B O\n6 3 3 6 18\ndirect\n0.282209 0.981813 0.252920 Li\n0.282209 0.981813 0.747080 Li\n0.018187 0.300396 0.252920 Li\n0.018187 0.300396 0.747080 Li\n0.699604 0.717791 0.747080 Li\n0.699604 0.717791 0.252920 Li\n0.370778 0.358115 0.000000 Mn\n0.641885 0.012664 0.000000 Mn\n0.987336 0.629222 0.000000 Mn\n0.371967 0.362123 0.500000 Fe\n0.637877 0.009844 0.500000 Fe\n0.990156 0.628033 0.500000 Fe\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.333333 0.666667 0.255955 B\n0.333333 0.666667 0.744045 B\n0.666667 0.333333 0.253601 B\n0.666667 0.333333 0.746399 B\n0.109222 0.913319 0.500000 O\n0.118498 0.924084 0.000000 O\n0.138641 0.579777 0.254210 O\n0.138641 0.579777 0.745790 O\n0.075916 0.194414 0.000000 O\n0.086681 0.195903 0.500000 O\n0.441137 0.861359 0.254210 O\n0.441137 0.861359 0.745790 O\n0.420223 0.558863 0.254210 O\n0.420223 0.558863 0.745790 O\n0.471856 0.250530 0.252566 O\n0.471856 0.250530 0.747434 O\n0.805586 0.881502 0.000000 O\n0.804097 0.890778 0.500000 O\n0.778674 0.528144 0.252566 O\n0.778674 0.528144 0.747434 O\n0.749470 0.221326 0.747434 O\n0.749470 0.221326 0.252566 O\n",
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{
"id": "mp-1205631",
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"structure_string": "Sr8 Co4 Sb4 O24\n1.0\n7.953126 -0.000484 -0.011277\n3.982707 -8.086253 -3.979528\n0.011302 0.000380 -7.948524\nSr Co Sb O\n8 4 4 24\ndirect\n0.627805 0.249869 0.624772 Sr\n0.375283 0.749870 0.877786 Sr\n0.122292 0.249919 0.125403 Sr\n0.874882 0.749881 0.372276 Sr\n0.374940 0.750111 0.372565 Sr\n0.122579 0.250071 0.624907 Sr\n0.874949 0.750152 0.877236 Sr\n0.627271 0.250140 0.125059 Sr\n0.750687 0.498652 0.750670 Co\n0.500786 0.998450 0.000808 Co\n0.999227 0.001586 0.499182 Co\n0.249303 0.501362 0.249373 Co\n0.749963 0.500057 0.249966 Sb\n0.500010 0.999990 0.500022 Sb\n0.250026 0.499959 0.750042 Sb\n0.999989 0.000032 0.999967 Sb\n0.753245 0.998731 0.499805 O\n0.503162 0.501255 0.749219 O\n0.249060 0.000273 0.000577 O\n0.999911 0.499644 0.249638 O\n0.248060 0.998630 0.501502 O\n0.995554 0.501326 0.749481 O\n0.750663 0.000300 0.999153 O\n0.500352 0.499810 0.250659 O\n0.873930 0.251971 0.374036 O\n0.622242 0.755598 0.622154 O\n0.372079 0.255818 0.872181 O\n0.123948 0.752208 0.123716 O\n0.127946 0.744218 0.627835 O\n0.876073 0.247751 0.876158 O\n0.626036 0.747981 0.125911 O\n0.377715 0.244433 0.377940 O\n0.001079 0.999657 0.749988 O\n0.750075 0.500186 0.000719 O\n0.498594 0.001493 0.245524 O\n0.251176 0.498635 0.497593 O\n0.999312 0.999580 0.250359 O\n0.749743 0.500194 0.499081 O\n0.499993 0.001329 0.753090 O\n0.250060 0.498874 0.003648 O\n",
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"formula_full": "Sr8 Co4 Sb4 O24",
"formula_reduced": "Sr2CoSbO6",
"formula_anonymous": "ABC2D6",
"energy": -271.38532234,
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"spacegroup": 225
},
{
"id": "mp-1105189",
"created_at": "2022-09-04T14:40:18.449636Z",
"structure_string": "Cu4 Ag2 P2 S8\n1.0\n6.205047 0.000000 0.000000\n0.000000 6.321748 0.000000\n0.000000 0.000000 7.661543\nCu Ag P S\n4 2 2 8\ndirect\n0.009741 0.185237 0.752575 Cu\n0.009741 0.185237 0.247425 Cu\n0.509741 0.814763 0.747425 Cu\n0.509741 0.814763 0.252575 Cu\n0.004619 0.647203 0.500000 Ag\n0.504619 0.352797 0.000000 Ag\n0.500597 0.312544 0.500000 P\n0.000597 0.687456 0.000000 P\n0.378082 0.160040 0.721261 S\n0.378082 0.160040 0.278739 S\n0.878082 0.839960 0.778739 S\n0.878082 0.839960 0.221261 S\n0.836542 0.280289 0.500000 S\n0.336542 0.719711 0.000000 S\n0.411166 0.631834 0.500000 S\n0.911166 0.368166 0.000000 S\n",
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"formula_full": "Cu4 Ag2 P2 S8",
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"spacegroup": 31
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{
"id": "mp-676378",
"created_at": "2022-09-04T14:40:18.449254Z",
"structure_string": "Sr12 Ta4 O22\n1.0\n8.567321 0.000000 0.000000\n0.000000 8.567321 0.000000\n0.000000 0.000000 8.546433\nSr Ta O\n12 4 22\ndirect\n0.750633 0.250633 0.722700 Sr\n0.500000 0.000000 0.529791 Sr\n0.500000 0.500000 0.000000 Sr\n0.749367 0.750633 0.277300 Sr\n0.000000 0.500000 0.470209 Sr\n0.249367 0.749367 0.722700 Sr\n0.250633 0.750633 0.277300 Sr\n0.000000 0.000000 0.000000 Sr\n0.249367 0.250633 0.722700 Sr\n0.250633 0.249367 0.277300 Sr\n0.749367 0.249367 0.277300 Sr\n0.750633 0.749367 0.722700 Sr\n0.000000 0.500000 0.027385 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.972615 Ta\n0.500000 0.500000 0.500000 Ta\n0.765355 0.000000 0.492227 O\n0.500000 0.265355 0.492227 O\n0.500000 0.500000 0.728236 O\n0.265355 0.500000 0.507773 O\n0.500000 0.782302 0.899167 O\n0.000000 0.500000 0.803587 O\n0.500000 0.000000 0.196413 O\n0.000000 0.717698 0.100833 O\n0.282302 0.000000 0.899167 O\n0.000000 0.765355 0.507773 O\n0.234645 0.000000 0.492227 O\n0.000000 0.000000 0.271764 O\n0.000000 0.000000 0.728236 O\n0.000000 0.234645 0.507773 O\n0.000000 0.282302 0.100833 O\n0.717698 0.000000 0.899167 O\n0.500000 0.217698 0.899167 O\n0.782302 0.500000 0.100833 O\n0.734645 0.500000 0.507773 O\n0.500000 0.500000 0.271764 O\n0.500000 0.734645 0.492227 O\n0.217698 0.500000 0.100833 O\n",
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"density": 5.631008605594118,
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"volume": 627.29954275652,
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"formula_full": "Sr12 Ta4 O22",
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{
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"created_at": "2022-09-04T14:40:18.442836Z",
"structure_string": "Na16 Al16 As24\n1.0\n6.779762 0.000000 0.000000\n0.000000 13.222165 0.000000\n0.000000 0.084213 14.593330\nNa Al As\n16 16 24\ndirect\n0.054500 0.861516 0.009160 Na\n0.554500 0.138484 0.490840 Na\n0.945500 0.138484 0.990840 Na\n0.445500 0.861516 0.509160 Na\n0.410851 0.350457 0.981130 Na\n0.910851 0.649543 0.518870 Na\n0.589149 0.649543 0.018870 Na\n0.089149 0.350457 0.481130 Na\n0.452292 0.086049 0.892787 Na\n0.952292 0.913951 0.607213 Na\n0.547708 0.913951 0.107213 Na\n0.047708 0.086049 0.392787 Na\n0.099150 0.566244 0.085247 Na\n0.599150 0.433756 0.414753 Na\n0.900850 0.433756 0.914753 Na\n0.400850 0.566244 0.585247 Na\n0.712008 0.315646 0.165594 Al\n0.212008 0.684354 0.334406 Al\n0.287992 0.684354 0.834406 Al\n0.787992 0.315646 0.665594 Al\n0.203300 0.906136 0.269985 Al\n0.703300 0.093864 0.230015 Al\n0.796700 0.093864 0.730015 Al\n0.296700 0.906136 0.769985 Al\n0.236913 0.189131 0.172668 Al\n0.736913 0.810869 0.327332 Al\n0.763087 0.810869 0.827332 Al\n0.263087 0.189131 0.672668 Al\n0.236307 0.410838 0.240522 Al\n0.736307 0.589162 0.259478 Al\n0.763693 0.589162 0.759478 Al\n0.263693 0.410838 0.740522 Al\n0.029539 0.033673 0.173322 As\n0.529539 0.966327 0.326678 As\n0.970461 0.966327 0.826678 As\n0.470461 0.033673 0.673322 As\n0.546123 0.161837 0.086418 As\n0.046123 0.838163 0.413582 As\n0.453877 0.838163 0.913582 As\n0.953877 0.161837 0.586418 As\n0.049284 0.339455 0.104862 As\n0.549284 0.660545 0.395138 As\n0.950716 0.660545 0.895138 As\n0.450716 0.339455 0.604862 As\n0.163141 0.252974 0.829689 As\n0.663141 0.747026 0.670311 As\n0.836859 0.747026 0.170311 As\n0.336859 0.252974 0.329689 As\n0.530416 0.479623 0.157382 As\n0.030416 0.520377 0.342618 As\n0.469584 0.520377 0.842618 As\n0.969584 0.479623 0.657382 As\n0.789213 0.249931 0.825768 As\n0.289213 0.750069 0.674232 As\n0.210787 0.750069 0.174232 As\n0.710787 0.249931 0.325768 As\n",
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{
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"structure_string": "Ce8 Zn8 Rh8\n1.0\n3.935135 0.000000 0.000000\n0.000000 7.374815 0.000000\n0.000000 0.000000 16.232074\nCe Zn Rh\n8 8 8\ndirect\n0.250000 0.672843 0.559075 Ce\n0.750000 0.827157 0.059075 Ce\n0.250000 0.052992 0.716352 Ce\n0.250000 0.172843 0.940925 Ce\n0.750000 0.947008 0.283648 Ce\n0.250000 0.552992 0.783648 Ce\n0.750000 0.447008 0.216352 Ce\n0.750000 0.327157 0.440925 Ce\n0.250000 0.118390 0.151931 Zn\n0.750000 0.502386 0.939762 Zn\n0.750000 0.002386 0.560238 Zn\n0.750000 0.381610 0.651931 Zn\n0.750000 0.881610 0.848069 Zn\n0.250000 0.497614 0.060238 Zn\n0.250000 0.618390 0.348069 Zn\n0.250000 0.997614 0.439762 Zn\n0.750000 0.749500 0.437534 Rh\n0.750000 0.254798 0.815019 Rh\n0.750000 0.754798 0.684981 Rh\n0.250000 0.745202 0.184981 Rh\n0.250000 0.750500 0.937534 Rh\n0.250000 0.250500 0.562466 Rh\n0.750000 0.249500 0.062466 Rh\n0.250000 0.245202 0.315019 Rh\n",
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{
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"structure_string": "Ca10 Sn6 H2\n1.0\n-4.095231 4.095231 7.473988\n4.095231 -4.095231 7.473988\n4.095231 4.095231 -7.473988\nCa Sn H\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.510142 0.010142 0.824464 Ca\n0.185678 0.685678 0.175536 Ca\n0.010142 0.185678 0.500000 Ca\n0.685678 0.510142 0.500000 Ca\n0.489858 0.989858 0.175536 Ca\n0.814322 0.314322 0.824464 Ca\n0.989858 0.814322 0.500000 Ca\n0.314322 0.489858 0.500000 Ca\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n0.872729 0.372729 0.245459 Sn\n0.127271 0.627271 0.754541 Sn\n0.372729 0.127271 0.500000 Sn\n0.627271 0.872729 0.500000 Sn\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
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{
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{
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"structure_string": "Er2 Zn1 Te2 S2 O14\n1.0\n5.050865 0.012259 1.522032\n-0.388342 7.100495 3.424939\n-0.023940 0.019404 8.170371\nEr Zn Te S O\n2 1 2 2 14\ndirect\n0.915744 0.746238 0.984121 Er\n0.084256 0.253762 0.015879 Er\n0.000000 0.000000 0.500000 Zn\n0.481529 0.725653 0.664914 Te\n0.518471 0.274347 0.335086 Te\n0.237451 0.755147 0.247204 S\n0.762549 0.244853 0.752796 S\n0.102467 0.595016 0.249877 O\n0.897533 0.404984 0.750123 O\n0.134034 0.770575 0.428436 O\n0.865966 0.229425 0.571564 O\n0.527516 0.730451 0.212153 O\n0.472484 0.269549 0.787847 O\n0.176490 0.926663 0.086761 O\n0.823510 0.073337 0.913239 O\n0.242955 0.560636 0.897522 O\n0.757045 0.439364 0.102478 O\n0.723450 0.804476 0.754703 O\n0.276550 0.195524 0.245297 O\n0.245045 0.922310 0.669942 O\n0.754955 0.077690 0.330058 O\n",
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"elements": [
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"S",
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],
"chemical_system": "Er-O-S-Te-Zn",
"density": 5.346308176779189,
"density_atomic": 0.07168000337966268,
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"volume_molar": 8.40142365521794,
"formula_full": "Er2 Zn1 Te2 S2 O14",
"formula_reduced": "Er2ZnTe2(SO7)2",
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"spacegroup": 2
},
{
"id": "mp-1047025",
"created_at": "2022-09-04T14:40:18.421014Z",
"structure_string": "Zn6 Bi12 O24\n1.0\n6.765089 0.000000 0.000000\n3.110283 6.033588 0.000000\n0.682462 0.449492 16.512893\nZn Bi O\n6 12 24\ndirect\n0.847993 0.347355 0.041449 Zn\n0.143865 0.650569 0.338733 Zn\n0.321164 0.821856 0.196828 Zn\n0.837648 0.340399 0.663610 Zn\n0.999170 0.503419 0.503575 Zn\n0.649365 0.152259 0.809542 Zn\n0.842766 0.833905 0.165329 Bi\n0.517922 0.022005 0.373039 Bi\n0.508099 0.006598 0.998558 Bi\n0.334988 0.344066 0.164798 Bi\n0.499783 0.505987 0.499702 Bi\n0.168997 0.671689 0.717192 Bi\n0.000964 0.003543 0.500152 Bi\n0.143748 0.159149 0.833871 Bi\n0.826466 0.326715 0.286106 Bi\n0.657390 0.645127 0.834250 Bi\n0.487136 0.987260 0.616622 Bi\n0.137756 0.634905 0.963721 Bi\n0.719123 0.666230 0.077586 O\n0.480734 0.976971 0.239918 O\n0.167796 0.217709 0.077319 O\n0.671108 0.172811 0.073319 O\n0.278389 0.389992 0.425141 O\n0.016449 0.518160 0.252015 O\n0.169402 0.668509 0.585969 O\n0.451267 0.527137 0.262295 O\n0.868394 0.789885 0.422669 O\n0.198932 0.697382 0.104835 O\n0.345116 0.848705 0.423142 O\n0.027373 0.949928 0.262919 O\n0.950055 0.056965 0.745877 O\n0.669849 0.174076 0.580134 O\n0.110435 0.210207 0.579143 O\n0.548527 0.456813 0.745775 O\n0.857139 0.359621 0.918454 O\n0.827220 0.326213 0.418249 O\n0.982891 0.479518 0.748961 O\n0.715188 0.611847 0.580309 O\n0.314019 0.809847 0.914561 O\n0.806236 0.872006 0.899711 O\n0.497896 0.002202 0.747216 O\n0.374442 0.303588 0.898926 O\n",
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"elements": [
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],
"chemical_system": "Bi-O-Zn",
"density": 8.091088351667313,
"density_atomic": 0.062312755711287963,
"volume": 674.0193002311996,
"volume_molar": 9.664378811783296,
"formula_full": "Zn6 Bi12 O24",
"formula_reduced": "Zn(BiO2)2",
"formula_anonymous": "AB2C4",
"energy": -237.8030362,
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"updated_at": "2021-11-28T01:35:03.980000Z",
"spacegroup": 1
},
{
"id": "mp-1096942",
"created_at": "2022-09-04T14:40:18.420589Z",
"structure_string": "Cs1 Bi1 Se2\n1.0\n2.201070 -3.812366 0.000000\n2.201070 3.812366 0.000000\n0.000000 0.000000 9.080969\nCs Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.422557 Cs\n0.333333 0.666667 0.975730 Bi\n0.666667 0.333333 0.161593 Se\n0.000000 0.000000 0.806121 Se\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.445776370331282,
"density_atomic": 0.02624637685715756,
"volume": 152.40198758744768,
"volume_molar": 22.94465553388457,
"formula_full": "Cs1 Bi1 Se2",
"formula_reduced": "CsBiSe2",
"formula_anonymous": "ABC2",
"energy": -15.42999521,
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"updated_at": "2021-11-28T01:35:04.830000Z",
"spacegroup": 156
},
{
"id": "mp-1076862",
"created_at": "2022-09-04T14:40:18.420037Z",
"structure_string": "Sr8 Ca24 Mn20 Fe12 O80\n1.0\n0.000726 0.007292 10.957552\n11.143331 0.003800 0.000732\n-5.567095 15.555059 -5.469092\nSr Ca Mn Fe O\n8 24 20 12 80\ndirect\n0.309271 0.560468 0.610258 Sr\n0.808274 0.058836 0.610719 Sr\n0.199742 0.441576 0.892577 Sr\n0.059232 0.298901 0.609357 Sr\n0.058290 0.801681 0.610532 Sr\n0.559364 0.300931 0.610712 Sr\n0.448884 0.199572 0.890447 Sr\n0.946422 0.198281 0.385313 Sr\n0.304694 0.064529 0.108121 Ca\n0.306043 0.059479 0.604091 Ca\n0.306856 0.565961 0.109516 Ca\n0.805267 0.062039 0.105465 Ca\n0.806571 0.563044 0.107659 Ca\n0.807172 0.561356 0.606186 Ca\n0.199132 0.436546 0.390584 Ca\n0.198500 0.935029 0.390912 Ca\n0.200264 0.937877 0.896393 Ca\n0.695099 0.436335 0.391238 Ca\n0.701034 0.438041 0.895615 Ca\n0.698095 0.935260 0.391067 Ca\n0.700665 0.938248 0.893538 Ca\n0.057839 0.295376 0.109299 Ca\n0.056323 0.793337 0.107271 Ca\n0.555874 0.293856 0.108564 Ca\n0.556523 0.794451 0.108436 Ca\n0.558029 0.794610 0.606024 Ca\n0.449818 0.206234 0.390620 Ca\n0.448635 0.705897 0.391927 Ca\n0.451578 0.707874 0.895958 Ca\n0.951448 0.205226 0.895063 Ca\n0.947254 0.704715 0.390009 Ca\n0.948867 0.707555 0.894452 Ca\n0.004951 0.999341 0.498351 Mn\n0.002256 0.499508 0.496252 Mn\n0.256502 0.250933 0.002888 Mn\n0.253380 0.247924 0.495612 Mn\n0.112443 0.093317 0.246953 Mn\n0.113612 0.095080 0.755458 Mn\n0.109693 0.598404 0.249418 Mn\n0.109258 0.602357 0.751399 Mn\n0.606563 0.096277 0.249402 Mn\n0.609915 0.094403 0.749262 Mn\n0.607486 0.597574 0.249288 Mn\n0.616127 0.605414 0.753517 Mn\n0.359214 0.403499 0.248306 Mn\n0.366972 0.404905 0.751858 Mn\n0.358168 0.901008 0.249630 Mn\n0.363566 0.901020 0.750954 Mn\n0.857581 0.406687 0.248139 Mn\n0.860092 0.406443 0.752881 Mn\n0.858663 0.898470 0.246954 Mn\n0.859121 0.898316 0.752439 Mn\n0.007193 0.002564 0.002288 Fe\n0.005957 0.500377 0.001990 Fe\n0.506385 0.000821 0.002548 Fe\n0.502482 0.998399 0.496779 Fe\n0.506932 0.500975 0.002696 Fe\n0.503045 0.497192 0.494901 Fe\n0.256100 0.752465 0.002150 Fe\n0.252988 0.748857 0.497213 Fe\n0.756695 0.250423 0.001637 Fe\n0.753068 0.249511 0.497577 Fe\n0.756122 0.750330 0.000825 Fe\n0.752624 0.747372 0.496390 Fe\n0.127847 0.117767 0.489364 O\n0.125440 0.122637 0.987630 O\n0.119773 0.619091 0.486622 O\n0.123006 0.625383 0.992835 O\n0.621447 0.119221 0.485716 O\n0.628413 0.119783 0.993534 O\n0.623460 0.619852 0.487809 O\n0.624958 0.620392 0.989001 O\n0.137764 0.378680 0.015178 O\n0.132818 0.376981 0.504179 O\n0.136400 0.881588 0.012250 O\n0.131716 0.880344 0.504654 O\n0.637106 0.381218 0.014477 O\n0.637152 0.381896 0.509599 O\n0.634865 0.878454 0.012664 O\n0.629873 0.874026 0.506095 O\n0.370341 0.118325 0.486980 O\n0.372560 0.119138 0.992591 O\n0.373038 0.618218 0.487312 O\n0.378876 0.623628 0.994008 O\n0.874134 0.115912 0.489667 O\n0.874097 0.117796 0.987230 O\n0.871913 0.617242 0.487687 O\n0.873645 0.617610 0.988428 O\n0.385855 0.382812 0.016603 O\n0.380252 0.375254 0.503729 O\n0.385931 0.883204 0.012274 O\n0.382158 0.881603 0.509324 O\n0.885704 0.382019 0.012028 O\n0.880721 0.383429 0.505088 O\n0.887064 0.882935 0.014003 O\n0.881283 0.877238 0.501950 O\n0.085845 0.099404 0.131909 O\n0.077332 0.079514 0.634105 O\n0.079909 0.593452 0.135131 O\n0.069722 0.584231 0.633248 O\n0.579793 0.094087 0.136334 O\n0.577115 0.084942 0.633877 O\n0.579673 0.594781 0.135652 O\n0.576339 0.589022 0.635096 O\n0.448711 0.402002 0.365711 O\n0.446081 0.410808 0.867900 O\n0.441496 0.906059 0.364381 O\n0.450288 0.910900 0.866275 O\n0.942258 0.414072 0.361809 O\n0.944622 0.405215 0.866018 O\n0.944021 0.909998 0.362608 O\n0.944916 0.904055 0.866549 O\n0.326380 0.285150 0.129290 O\n0.325490 0.295316 0.632726 O\n0.329896 0.792637 0.135923 O\n0.322752 0.797652 0.633593 O\n0.832021 0.290909 0.136209 O\n0.824715 0.301016 0.635602 O\n0.828463 0.786258 0.134278 O\n0.823655 0.796010 0.634098 O\n0.192011 0.207795 0.366258 O\n0.196822 0.210147 0.874260 O\n0.192516 0.707372 0.364551 O\n0.196791 0.709953 0.867325 O\n0.689750 0.207012 0.363943 O\n0.690494 0.206577 0.864134 O\n0.693647 0.706426 0.363342 O\n0.699675 0.714694 0.867159 O\n0.427298 0.071666 0.249299 O\n0.429342 0.066287 0.742888 O\n0.429655 0.578478 0.249833 O\n0.442157 0.576967 0.758332 O\n0.925025 0.056452 0.239678 O\n0.931135 0.065897 0.758030 O\n0.923180 0.575952 0.248509 O\n0.927399 0.575673 0.751808 O\n0.172282 0.432920 0.249804 O\n0.189270 0.442079 0.751147 O\n0.180234 0.920339 0.248957 O\n0.191440 0.928763 0.759566 O\n0.677458 0.426625 0.248942 O\n0.685546 0.436788 0.758983 O\n0.676194 0.927503 0.250033 O\n0.675369 0.923185 0.750507 O\n",
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"elements": [
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],
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"density": 4.1178499941549465,
"density_atomic": 0.07578926195762342,
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"volume_molar": 7.945902367234031,
"formula_full": "Sr8 Ca24 Mn20 Fe12 O80",
"formula_reduced": "Sr2Ca6Mn5Fe3O20",
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"updated_at": "2021-11-28T01:34:50.665000Z",
"spacegroup": 1
}
]
}