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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10200",
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"results": [
{
"id": "mp-1027927",
"created_at": "2022-09-04T14:47:46.727326Z",
"structure_string": "Hf1 Mg14 Zn1\n1.0\n6.400342 0.087361 0.000000\n-3.124515 5.411818 0.000000\n0.000000 0.000000 10.125439\nHf Mg Zn\n1 14 1\ndirect\n0.157033 0.828516 0.125000 Hf\n0.165482 0.332740 0.625000 Mg\n0.167125 0.833562 0.625000 Mg\n0.658079 0.333628 0.125000 Mg\n0.665750 0.330787 0.625000 Mg\n0.658079 0.824450 0.125000 Mg\n0.665750 0.834962 0.625000 Mg\n0.330976 0.164350 0.369690 Mg\n0.330976 0.164350 0.880309 Mg\n0.330976 0.666627 0.369690 Mg\n0.330976 0.666627 0.880309 Mg\n0.840590 0.170295 0.366272 Mg\n0.840590 0.170295 0.883728 Mg\n0.839226 0.669613 0.374766 Mg\n0.839226 0.669613 0.875234 Mg\n0.179167 0.339583 0.125000 Zn\n",
"nsites": 16,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Hf-Mg-Zn",
"density": 2.7442162730097635,
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"volume": 353.48359950243764,
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"formula_full": "Hf1 Mg14 Zn1",
"formula_reduced": "HfMg14Zn",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:38:23.335000Z",
"spacegroup": 38
},
{
"id": "mp-1026532",
"created_at": "2022-09-04T14:41:57.753287Z",
"structure_string": "Ba1 Hf1 Mg14\n1.0\n6.650812 0.000000 -0.000000\n-3.325406 5.759772 0.000000\n0.000000 0.000000 10.363652\nBa Hf Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Ba\n0.166667 0.333333 0.625000 Hf\n0.180953 0.840476 0.125000 Mg\n0.165359 0.832679 0.625000 Mg\n0.659524 0.319047 0.125000 Mg\n0.667321 0.334641 0.625000 Mg\n0.659524 0.840476 0.125000 Mg\n0.667321 0.832679 0.625000 Mg\n0.337313 0.162687 0.391049 Mg\n0.337313 0.162687 0.858951 Mg\n0.337313 0.674627 0.391049 Mg\n0.337313 0.674627 0.858951 Mg\n0.825373 0.162687 0.391049 Mg\n0.825373 0.162687 0.858951 Mg\n0.833333 0.666667 0.371067 Mg\n0.833333 0.666667 0.878933 Mg\n",
"nsites": 16,
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"elements": [
"Ba",
"Hf",
"Mg"
],
"chemical_system": "Ba-Hf-Mg",
"density": 2.7442125402819393,
"density_atomic": 0.040302055547257735,
"volume": 397.00208296419476,
"volume_molar": 14.94251516014737,
"formula_full": "Ba1 Hf1 Mg14",
"formula_reduced": "BaHfMg14",
"formula_anonymous": "ABC14",
"energy": -32.38321742,
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"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.882000Z",
"spacegroup": 187
},
{
"id": "mp-1245232",
"created_at": "2022-09-04T14:39:37.275379Z",
"structure_string": "Mg40 O40\n1.0\n9.330183 0.097586 0.043353\n0.062340 10.544462 -0.667507\n0.056820 -0.669235 9.959193\nMg O\n40 40\ndirect\n0.704092 0.863231 0.876814 Mg\n0.287386 0.547372 0.655937 Mg\n0.879131 0.529228 0.097298 Mg\n0.613693 0.740578 0.594973 Mg\n0.398591 0.721363 0.388598 Mg\n0.245298 0.757102 0.068118 Mg\n0.575150 0.085682 0.858895 Mg\n0.584962 0.515140 0.844999 Mg\n0.019106 0.471444 0.515620 Mg\n0.817039 0.948212 0.601944 Mg\n0.473931 0.282918 0.650957 Mg\n0.061723 0.834490 0.460648 Mg\n0.841551 0.632503 0.743607 Mg\n0.108992 0.004251 0.229193 Mg\n0.095805 0.571753 0.886473 Mg\n0.906299 0.785402 0.087569 Mg\n0.913817 0.321173 0.278548 Mg\n0.779440 0.077320 0.124934 Mg\n0.783618 0.278217 0.909999 Mg\n0.463159 0.960600 0.589498 Mg\n0.949149 0.122587 0.417704 Mg\n0.551621 0.147775 0.385184 Mg\n0.466417 0.916550 0.136921 Mg\n0.355661 0.389443 0.969941 Mg\n0.773460 0.241987 0.607068 Mg\n0.550884 0.285209 0.130920 Mg\n0.131151 0.571213 0.237684 Mg\n0.417163 0.793346 0.799435 Mg\n0.230971 0.231485 0.128382 Mg\n0.240255 0.223415 0.420142 Mg\n0.590544 0.479873 0.517773 Mg\n0.358412 0.428730 0.327899 Mg\n0.067042 0.306511 0.847406 Mg\n0.802095 0.639509 0.369759 Mg\n0.182968 0.046382 0.628312 Mg\n0.091448 0.788221 0.766508 Mg\n0.561083 0.605706 0.161474 Mg\n0.724826 0.910878 0.338754 Mg\n0.301494 0.035672 0.935524 Mg\n0.967317 0.055963 0.848843 Mg\n0.775247 0.053789 0.929695 O\n0.401815 0.242228 0.278610 O\n0.899865 0.448252 0.909293 O\n0.612766 0.026371 0.226623 O\n0.403266 0.706768 0.604063 O\n0.522570 0.545123 0.344099 O\n0.549995 0.849724 0.434560 O\n0.856990 0.810235 0.448382 O\n0.189005 0.706718 0.371712 O\n0.908456 0.785850 0.885658 O\n0.254093 0.949765 0.100190 O\n0.061536 0.652021 0.082232 O\n0.120397 0.014576 0.435478 O\n0.252260 0.425373 0.151874 O\n0.082929 0.193504 0.265370 O\n0.943994 0.503344 0.290298 O\n0.314551 0.960905 0.741168 O\n0.629013 0.243351 0.775084 O\n0.473754 0.467308 0.688371 O\n0.417744 0.200582 0.988132 O\n0.122381 0.157014 0.950001 O\n0.504809 0.926132 0.943730 O\n0.418794 0.739458 0.170710 O\n0.908321 0.953123 0.202476 O\n0.639791 0.685002 0.811385 O\n0.609280 0.298555 0.497438 O\n0.018292 0.931915 0.676371 O\n0.763504 0.071040 0.480302 O\n0.551882 0.453744 0.021030 O\n0.049444 0.601104 0.683643 O\n0.757910 0.678200 0.173231 O\n0.220860 0.422248 0.831690 O\n0.768544 0.271677 0.131712 O\n0.638230 0.921644 0.699538 O\n0.757507 0.590833 0.554945 O\n0.227441 0.417893 0.483577 O\n0.245531 0.713117 0.869955 O\n0.368458 0.133827 0.550880 O\n0.928653 0.200554 0.743443 O\n0.921832 0.306449 0.478848 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.7441963282704194,
"density_atomic": 0.0820056200694249,
"volume": 975.5428948927284,
"volume_molar": 7.34357078807737,
"formula_full": "Mg40 O40",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy": -480.47408819,
"energy_per_atom": -6.005926102375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -452.99408819,
"band_gap": 1.8877,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.840000Z",
"spacegroup": 1
},
{
"id": "mp-1214335",
"created_at": "2022-09-04T14:40:09.247382Z",
"structure_string": "Ca4 V8 O8\n1.0\n-4.296002 4.296002 -5.703706\n4.296002 -4.296002 -5.703706\n-4.296002 -4.296002 5.703706\nCa V O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Ca\n0.875000 0.625000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.875000 0.125000 0.750000 Ca\n0.556451 0.369575 0.813125 V\n0.556451 0.743326 0.186875 V\n0.493326 0.806451 0.686875 V\n0.193549 0.506674 0.313125 V\n0.193549 0.880425 0.686875 V\n0.119575 0.806451 0.313125 V\n0.256674 0.443549 0.813125 V\n0.630425 0.443549 0.186875 V\n0.669894 0.343047 0.673154 O\n0.669894 0.996740 0.326846 O\n0.746740 0.919894 0.826846 O\n0.080106 0.253260 0.173154 O\n0.080106 0.906953 0.826846 O\n0.093047 0.919894 0.173154 O\n0.003260 0.330106 0.673154 O\n0.656953 0.330106 0.326846 O\n",
"nsites": 20,
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"elements": [
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"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 2.7441757100513615,
"density_atomic": 0.04749894056504208,
"volume": 421.0620229016108,
"volume_molar": 12.678473853019218,
"formula_full": "Ca4 V8 O8",
"formula_reduced": "CaV2O2",
"formula_anonymous": "AB2C2",
"energy": -141.01377664,
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"updated_at": "2021-11-28T01:34:55.360000Z",
"spacegroup": 141
},
{
"id": "mp-706657",
"created_at": "2022-09-04T14:41:15.296588Z",
"structure_string": "Al13 Si5 H18 Cl1 O38\n1.0\n0.000000 7.039081 7.039081\n7.039081 0.000000 7.039081\n7.039081 7.039081 0.000000\nAl Si H Cl O\n13 5 18 1 38\ndirect\n0.765700 0.406418 0.062182 Al\n0.406418 0.765700 0.062182 Al\n0.765700 0.765700 0.062182 Al\n0.765700 0.765700 0.406418 Al\n0.765700 0.406418 0.765700 Al\n0.765700 0.062182 0.406418 Al\n0.750000 0.750000 0.750000 Al\n0.406418 0.765700 0.765700 Al\n0.406418 0.062182 0.765700 Al\n0.765700 0.062182 0.765700 Al\n0.062182 0.765700 0.406418 Al\n0.062182 0.406418 0.765700 Al\n0.062182 0.765700 0.765700 Al\n0.113295 0.113295 0.113295 Si\n0.660116 0.113295 0.113295 Si\n0.250000 0.250000 0.250000 Si\n0.113295 0.113295 0.660116 Si\n0.113295 0.660116 0.113295 Si\n0.480184 0.480184 0.130246 H\n0.909386 0.480184 0.130246 H\n0.651869 0.348131 0.348131 H\n0.480184 0.909386 0.130246 H\n0.651869 0.348131 0.651869 H\n0.348131 0.651869 0.348131 H\n0.651869 0.651869 0.348131 H\n0.909386 0.480184 0.480184 H\n0.348131 0.651869 0.651869 H\n0.480184 0.480184 0.909386 H\n0.480184 0.909386 0.480184 H\n0.480184 0.130246 0.480184 H\n0.909386 0.130246 0.480184 H\n0.480184 0.130246 0.909386 H\n0.348131 0.348131 0.651869 H\n0.130246 0.480184 0.480184 H\n0.130246 0.909386 0.480184 H\n0.130246 0.480184 0.909386 H\n0.500000 0.500000 0.500000 Cl\n0.722221 0.277779 0.277779 O\n0.544773 0.544773 0.099538 O\n0.810915 0.544773 0.099538 O\n0.544773 0.810915 0.099538 O\n0.277779 0.722221 0.277779 O\n0.722221 0.722221 0.277779 O\n0.722221 0.277779 0.722221 O\n0.275296 0.001993 0.001993 O\n0.720718 0.001993 0.001993 O\n0.810915 0.544773 0.544773 O\n0.001993 0.001993 0.275296 O\n0.001993 0.275296 0.001993 O\n0.720718 0.001993 0.275296 O\n0.720718 0.275296 0.001993 O\n0.824732 0.824732 0.525805 O\n0.824732 0.525805 0.824732 O\n0.544773 0.544773 0.810915 O\n0.544773 0.810915 0.544773 O\n0.182681 0.182681 0.182681 O\n0.451958 0.182681 0.182681 O\n0.277779 0.722221 0.722221 O\n0.182681 0.451958 0.182681 O\n0.182681 0.182681 0.451958 O\n0.544773 0.099538 0.544773 O\n0.810915 0.099538 0.544773 O\n0.525805 0.824732 0.824732 O\n0.824732 0.824732 0.824732 O\n0.275296 0.720718 0.001993 O\n0.001993 0.001993 0.720718 O\n0.275296 0.001993 0.720718 O\n0.001993 0.720718 0.001993 O\n0.544773 0.099538 0.810915 O\n0.001993 0.275296 0.720718 O\n0.001993 0.720718 0.275296 O\n0.277779 0.277779 0.722221 O\n0.099538 0.544773 0.544773 O\n0.099538 0.810915 0.544773 O\n0.099538 0.544773 0.810915 O\n",
"nsites": 75,
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"elements": [
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"H",
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],
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"density": 2.744165791653838,
"density_atomic": 0.10751854521641323,
"volume": 697.5540810103045,
"volume_molar": 5.6010251514086615,
"formula_full": "Al13 Si5 H18 Cl1 O38",
"formula_reduced": "Al13Si5H18ClO38",
"formula_anonymous": "AB5C13D18E38",
"energy": -521.6425870099999,
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"updated_at": "2021-11-28T01:35:26.053000Z",
"spacegroup": 216
},
{
"id": "mp-570142",
"created_at": "2022-09-04T14:46:00.404723Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n11.792341 -2.142374 0.000000\n11.792341 2.142374 0.000000\n11.403125 0.000000 3.690232\nCa Si Br\n3 1 2\ndirect\n0.119454 0.119454 0.119454 Ca\n0.996184 0.996184 0.996184 Ca\n0.904533 0.904533 0.904533 Ca\n0.283880 0.283880 0.283880 Si\n0.500280 0.500280 0.500280 Br\n0.738670 0.738670 0.738670 Br\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.7441040404461003,
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"volume": 186.4571254232084,
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"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy": -21.58704505,
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"updated_at": "2021-11-28T01:37:20.051000Z",
"spacegroup": 160
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{
"id": "mp-21511",
"created_at": "2022-09-04T14:46:15.678657Z",
"structure_string": "K4 Na2 In2 P4\n1.0\n-3.341134 3.346465 7.521672\n3.341134 -3.346465 7.521672\n3.341134 3.346465 -7.521672\nK Na In P\n4 2 2 4\ndirect\n0.177309 0.939067 0.761758 K\n0.822691 0.060933 0.238242 K\n0.322691 0.584449 0.261758 K\n0.677309 0.415551 0.738242 K\n0.750000 0.000000 0.750000 Na\n0.250000 0.000000 0.250000 Na\n0.250000 0.500000 0.750000 In\n0.750000 0.500000 0.250000 In\n0.400775 0.185573 0.784798 P\n0.599225 0.814427 0.215202 P\n0.099225 0.384022 0.284798 P\n0.900775 0.615978 0.715202 P\n",
"nsites": 12,
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"elements": [
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"Na",
"In",
"P"
],
"chemical_system": "In-K-Na-P",
"density": 2.744063558070442,
"density_atomic": 0.03567193620116946,
"volume": 336.3988972262906,
"volume_molar": 16.882012588379133,
"formula_full": "K4 Na2 In2 P4",
"formula_reduced": "K2NaInP2",
"formula_anonymous": "ABC2D2",
"energy": -39.23741714,
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"updated_at": "2021-11-28T01:37:27.632000Z",
"spacegroup": 72
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{
"id": "mp-23656",
"created_at": "2022-09-04T14:45:28.517766Z",
"structure_string": "Na8 Ga6 Si6 Cl2 O24\n1.0\n9.052005 0.000000 0.000000\n0.000000 9.052005 0.000000\n0.000000 0.000000 9.052005\nNa Ga Si Cl O\n8 6 6 2 24\ndirect\n0.673261 0.326739 0.326739 Na\n0.326739 0.326739 0.673261 Na\n0.326739 0.673261 0.326739 Na\n0.173261 0.173261 0.173261 Na\n0.673261 0.673261 0.673261 Na\n0.826739 0.173261 0.826739 Na\n0.826739 0.826739 0.173261 Na\n0.173261 0.826739 0.826739 Na\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.750000 0.000000 0.500000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.500000 0.750000 Ga\n0.250000 0.000000 0.500000 Ga\n0.250000 0.500000 0.000000 Si\n0.500000 0.000000 0.750000 Si\n0.500000 0.000000 0.250000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.848509 0.427392 0.865657 O\n0.634343 0.927392 0.651491 O\n0.634343 0.072608 0.348509 O\n0.927392 0.651491 0.634343 O\n0.072608 0.651491 0.365657 O\n0.651491 0.634343 0.927392 O\n0.348509 0.365657 0.927392 O\n0.865657 0.848509 0.427392 O\n0.865657 0.151491 0.572608 O\n0.134343 0.848509 0.572608 O\n0.151491 0.572608 0.865657 O\n0.572608 0.134343 0.848509 O\n0.134343 0.151491 0.427392 O\n0.365657 0.927392 0.348509 O\n0.365657 0.072608 0.651491 O\n0.072608 0.348509 0.634343 O\n0.927392 0.348509 0.365657 O\n0.651491 0.365657 0.072608 O\n0.348509 0.634343 0.072608 O\n0.572608 0.865657 0.151491 O\n0.151491 0.427392 0.134343 O\n0.848509 0.572608 0.134343 O\n0.427392 0.865657 0.848509 O\n0.427392 0.134343 0.151491 O\n",
"nsites": 46,
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"elements": [
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"density": 2.7440057818183474,
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