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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=10200",
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"results": [
{
"id": "mp-765360",
"created_at": "2022-09-04T14:40:54.481467Z",
"structure_string": "Ni1 Pt12 O16\n1.0\n0.000000 5.675392 5.675392\n5.675392 0.000000 5.675392\n5.675392 5.675392 0.000000\nNi Pt O\n1 12 16\ndirect\n0.000000 0.000000 0.000000 Ni\n0.375760 0.872952 0.127048 Pt\n0.624240 0.127048 0.872952 Pt\n0.624240 0.872952 0.375760 Pt\n0.127048 0.872952 0.624240 Pt\n0.624240 0.375760 0.127048 Pt\n0.375760 0.127048 0.624240 Pt\n0.872952 0.375760 0.624240 Pt\n0.127048 0.624240 0.375760 Pt\n0.127048 0.375760 0.872952 Pt\n0.375760 0.624240 0.872952 Pt\n0.872952 0.127048 0.375760 Pt\n0.872952 0.624240 0.127048 Pt\n0.659025 0.113658 0.113658 O\n0.371981 0.884058 0.371981 O\n0.113658 0.113658 0.659025 O\n0.886342 0.886342 0.886342 O\n0.628019 0.628019 0.115942 O\n0.371981 0.371981 0.371981 O\n0.628019 0.115942 0.628019 O\n0.340975 0.886342 0.886342 O\n0.371981 0.371981 0.884058 O\n0.115942 0.628019 0.628019 O\n0.628019 0.628019 0.628019 O\n0.886342 0.340975 0.886342 O\n0.113658 0.113658 0.113658 O\n0.886342 0.886342 0.340975 O\n0.884058 0.371981 0.371981 O\n0.113658 0.659025 0.113658 O\n",
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"Pt",
"O"
],
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"volume": 365.60959661237973,
"volume_molar": 7.592249841401965,
"formula_full": "Ni1 Pt12 O16",
"formula_reduced": "Ni(Pt3O4)4",
"formula_anonymous": "AB12C16",
"energy": -178.47660825000003,
"energy_per_atom": -6.154365801724139,
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"updated_at": "2021-11-28T01:34:57.221000Z",
"spacegroup": 202
},
{
"id": "mp-573710",
"created_at": "2022-09-04T14:40:16.723863Z",
"structure_string": "Cs2 Tb2 Zn2 Se6\n1.0\n2.095492 -8.097386 0.000000\n2.095492 8.097386 0.000000\n0.000000 0.000000 11.045306\nCs Tb Zn Se\n2 2 2 6\ndirect\n0.742216 0.257784 0.250000 Cs\n0.257784 0.742216 0.750000 Cs\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.460997 0.539003 0.250000 Zn\n0.539003 0.460997 0.750000 Zn\n0.616914 0.383086 0.940562 Se\n0.054711 0.945289 0.250000 Se\n0.383086 0.616914 0.059438 Se\n0.945289 0.054711 0.750000 Se\n0.616914 0.383086 0.559438 Se\n0.383086 0.616914 0.440562 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cs",
"Tb",
"Zn",
"Se"
],
"chemical_system": "Cs-Se-Tb-Zn",
"density": 5.2639835485706135,
"density_atomic": 0.032014199625119276,
"volume": 374.83367194925745,
"volume_molar": 18.810842783884098,
"formula_full": "Cs2 Tb2 Zn2 Se6",
"formula_reduced": "CsTbZnSe3",
"formula_anonymous": "ABCD3",
"energy": -54.35580709,
"energy_per_atom": -4.5296505908333335,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -51.52380708999999,
"band_gap": 2.1028,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002703,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.220000Z",
"spacegroup": 63
},
{
"id": "mp-1099286",
"created_at": "2022-09-04T14:40:55.466099Z",
"structure_string": "La1 Mg6 Co1\n1.0\n3.231402 -5.759879 0.000000\n3.231402 5.759879 0.000000\n0.000000 0.000000 4.891455\nLa Mg Co\n1 6 1\ndirect\n0.309160 0.690840 0.500000 La\n0.168284 0.300630 0.000000 Mg\n0.699370 0.831716 0.000000 Mg\n0.670856 0.329144 0.000000 Mg\n0.313559 0.164143 0.500000 Mg\n0.835857 0.686441 0.500000 Mg\n0.839309 0.160691 0.500000 Mg\n0.163607 0.836393 0.000000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Co"
],
"chemical_system": "Co-La-Mg",
"density": 3.1341272510630445,
"density_atomic": 0.04393570294731647,
"volume": 182.08426093905547,
"volume_molar": 13.706713119444524,
"formula_full": "La1 Mg6 Co1",
"formula_reduced": "LaMg6Co",
"formula_anonymous": "ABC6",
"energy": -20.41136479,
"energy_per_atom": -2.55142059875,
"energy_above_hull": null,
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"energy_uncorrected": -20.41136479,
"band_gap": 0.0,
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"total_magnetization": 0.0025275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.219000Z",
"spacegroup": 38
},
{
"id": "mp-690435",
"created_at": "2022-09-04T14:40:38.726109Z",
"structure_string": "Li7 Mn11 O24\n1.0\n2.895514 9.615441 0.000000\n-2.895514 9.615441 0.000000\n0.000000 3.574845 7.781629\nLi Mn O\n7 11 24\ndirect\n0.770208 0.431892 0.764289 Li\n0.419645 0.085773 0.116691 Li\n0.087605 0.754388 0.456884 Li\n0.245612 0.912395 0.543116 Li\n0.914227 0.580355 0.883309 Li\n0.568108 0.229792 0.235711 Li\n0.657932 0.342068 0.000000 Li\n0.330596 0.996130 0.841321 Mn\n0.002665 0.160424 0.158571 Mn\n0.166787 0.332790 0.499760 Mn\n0.836061 0.501629 0.317231 Mn\n0.003870 0.669404 0.158679 Mn\n0.494692 0.668757 0.158802 Mn\n0.667210 0.833213 0.500240 Mn\n0.839576 0.997335 0.841429 Mn\n0.498371 0.163939 0.682769 Mn\n0.666646 0.333354 0.500000 Mn\n0.331243 0.505308 0.841198 Mn\n0.506091 0.677514 0.930155 O\n0.324721 0.990693 0.076645 O\n0.012492 0.170890 0.930128 O\n0.137647 0.362851 0.244701 O\n0.824886 0.490222 0.106411 O\n0.843920 0.509082 0.540083 O\n0.993744 0.662662 0.395969 O\n0.697012 0.803196 0.244193 O\n0.637149 0.862353 0.755299 O\n0.805833 0.024586 0.608049 O\n0.490918 0.156080 0.459917 O\n0.337338 0.006256 0.604031 O\n0.509778 0.175114 0.893589 O\n0.657633 0.324680 0.773790 O\n0.196804 0.302988 0.755807 O\n0.357638 0.472651 0.607956 O\n0.322486 0.493909 0.069845 O\n0.152917 0.819633 0.760807 O\n0.180367 0.847083 0.239193 O\n0.009307 0.675279 0.923355 O\n0.829110 0.987508 0.069872 O\n0.975414 0.194167 0.391951 O\n0.675320 0.342367 0.226210 O\n0.527349 0.642362 0.392044 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.973624718787242,
"density_atomic": 0.09692903674453059,
"volume": 433.3066892091026,
"volume_molar": 6.212937796825688,
"formula_full": "Li7 Mn11 O24",
"formula_reduced": "Li7Mn11O24",
"formula_anonymous": "A7B11C24",
"energy": -318.01199515,
"energy_per_atom": -7.571714170238096,
"energy_above_hull": null,
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"energy_uncorrected": -283.17599515,
"band_gap": 0.8300000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.218000Z",
"spacegroup": 5
},
{
"id": "mp-705911",
"created_at": "2022-09-04T14:40:32.956200Z",
"structure_string": "Mo4 H68 C20 N16 O16\n1.0\n10.994583 0.000000 0.000000\n-0.002125 11.022568 0.000000\n-0.000678 -0.005393 11.029437\nMo H C N O\n4 68 20 16 16\ndirect\n0.501591 0.498110 0.998316 Mo\n0.001634 0.001812 0.001468 Mo\n0.998324 0.502080 0.498335 Mo\n0.497601 0.998567 0.501710 Mo\n0.948228 0.455158 0.894065 H\n0.900961 0.303594 0.929054 H\n0.792914 0.429428 0.937026 H\n0.854813 0.367810 0.253917 H\n0.551725 0.544859 0.393953 H\n0.598907 0.696338 0.429082 H\n0.706997 0.570572 0.436982 H\n0.544725 0.393813 0.551901 H\n0.696578 0.428923 0.599106 H\n0.632256 0.754078 0.645290 H\n0.997314 0.270217 0.644856 H\n0.570413 0.436941 0.706768 H\n0.144759 0.502896 0.730371 H\n0.645142 0.632310 0.754084 H\n0.998668 0.163662 0.764093 H\n0.571037 0.099482 0.803331 H\n0.264121 0.500589 0.836713 H\n0.244541 0.158183 0.873706 H\n0.562354 0.207856 0.928834 H\n0.605647 0.052830 0.954787 H\n0.269988 0.644330 0.997770 H\n0.163148 0.763227 0.999743 H\n0.663395 0.735810 0.001354 H\n0.769839 0.855328 0.002856 H\n0.106459 0.448157 0.044907 H\n0.955305 0.606225 0.052013 H\n0.063185 0.293163 0.070646 H\n0.803334 0.571130 0.099011 H\n0.745517 0.354830 0.132332 H\n0.867668 0.245926 0.145086 H\n0.502184 0.729886 0.144507 H\n0.763843 0.999026 0.163142 H\n0.071202 0.401116 0.196286 H\n0.929525 0.563190 0.206720 H\n0.355490 0.497628 0.230163 H\n0.500141 0.836669 0.263174 H\n0.498869 0.336600 0.235903 H\n0.644387 0.997363 0.269707 H\n0.071104 0.062363 0.291719 H\n0.930058 0.899854 0.301147 H\n0.236574 0.500138 0.336838 H\n0.497228 0.230366 0.355251 H\n0.198078 0.072889 0.399842 H\n0.937521 0.790017 0.428254 H\n0.045723 0.105813 0.447771 H\n0.897686 0.946417 0.453958 H\n0.230101 0.355851 0.497482 H\n0.336997 0.236842 0.498850 H\n0.836502 0.264095 0.501567 H\n0.729817 0.144783 0.502964 H\n0.393545 0.551937 0.544800 H\n0.436602 0.706821 0.570595 H\n0.754365 0.645132 0.632433 H\n0.735847 0.001351 0.663509 H\n0.428794 0.599012 0.696358 H\n0.001100 0.663278 0.736521 H\n0.361755 0.143559 0.743620 H\n0.855304 0.002871 0.769962 H\n0.429873 0.936053 0.793664 H\n0.002567 0.769904 0.855587 H\n0.303977 0.927631 0.901571 H\n0.456569 0.891931 0.949103 H\n0.292660 0.070574 0.063564 H\n0.400799 0.196845 0.070628 H\n0.448013 0.045181 0.105897 H\n0.208431 0.928739 0.565266 H\n0.099569 0.803024 0.572102 H\n0.052391 0.955743 0.608047 H\n0.887230 0.399871 0.949799 C\n0.612673 0.600098 0.449836 C\n0.600088 0.449686 0.612732 C\n0.862054 0.138191 0.638074 C\n0.659199 0.659140 0.659216 C\n0.138694 0.638503 0.861942 C\n0.549819 0.113676 0.899300 C\n0.050500 0.387340 0.100099 C\n0.899822 0.550387 0.112695 C\n0.638086 0.861415 0.138466 C\n0.840719 0.340882 0.159070 C\n0.150001 0.841308 0.341689 C\n0.361386 0.362001 0.361319 C\n0.101675 0.051843 0.385830 C\n0.950717 0.883641 0.397119 C\n0.449422 0.612731 0.600148 C\n0.337090 0.146543 0.839525 C\n0.400714 0.947186 0.888061 C\n0.386774 0.100449 0.050405 C\n0.113922 0.899525 0.553340 C\n0.580306 0.580325 0.580357 N\n0.962643 0.191386 0.681776 N\n0.182181 0.537697 0.808273 N\n0.192144 0.682268 0.961867 N\n0.691614 0.818053 0.037667 N\n0.919622 0.419712 0.080316 N\n0.537896 0.807918 0.182259 N\n0.682331 0.961791 0.192001 N\n0.317700 0.462009 0.307922 N\n0.462266 0.308288 0.317767 N\n0.082853 0.920749 0.421467 N\n0.307797 0.317826 0.461567 N\n0.808754 0.181494 0.537362 N\n0.818292 0.037394 0.691337 N\n0.038121 0.691991 0.817755 N\n0.418882 0.079241 0.919646 N\n0.417856 0.456312 0.865383 O\n0.906220 0.906872 0.906453 O\n0.044969 0.134671 0.917231 O\n0.634709 0.582631 0.955483 O\n0.134810 0.918570 0.042350 O\n0.544747 0.365150 0.082559 O\n0.406663 0.593173 0.093194 O\n0.918217 0.044118 0.135567 O\n0.081223 0.544605 0.365439 O\n0.593312 0.093036 0.406935 O\n0.453983 0.866097 0.417849 O\n0.865447 0.417164 0.455816 O\n0.364602 0.082856 0.545468 O\n0.955032 0.635754 0.581779 O\n0.093317 0.406585 0.593050 O\n0.582426 0.955526 0.634100 O\n",
"nsites": 124,
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"elements": [
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"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mo-N-O",
"density": 1.4567611829174427,
"density_atomic": 0.09276983664912453,
"volume": 1336.6413532557426,
"volume_molar": 6.491485786244327,
"formula_full": "Mo4 H68 C20 N16 O16",
"formula_reduced": "MoH17C5(NO)4",
"formula_anonymous": "AB4C4D5E17",
"energy": -734.36512149,
"energy_per_atom": -5.922299366854839,
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"updated_at": "2021-11-28T01:34:57.216000Z",
"spacegroup": 1
},
{
"id": "mp-1404456",
"created_at": "2022-09-04T14:41:00.554841Z",
"structure_string": "Mg1 Co4 O8\n1.0\n2.793228 -0.000218 0.573096\n1.312815 6.628741 0.692298\n0.024249 0.341854 6.972856\nMg Co O\n1 4 8\ndirect\n0.352226 0.122331 0.184906 Mg\n0.639062 0.169438 0.564272 Co\n0.152820 0.506394 0.200259 Co\n0.844101 0.488925 0.834981 Co\n0.358800 0.801598 0.492669 Co\n0.868634 0.660795 0.613810 O\n0.460918 0.324642 0.765434 O\n0.539722 0.664679 0.268249 O\n0.143319 0.303718 0.421695 O\n0.167095 0.007948 0.669563 O\n0.793259 0.333890 0.091497 O\n0.837084 0.976359 0.361249 O\n0.221124 0.629920 0.940207 O\n",
"nsites": 13,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 5.009962598293799,
"density_atomic": 0.10107880514072032,
"volume": 128.61252150637915,
"volume_molar": 5.957866984691865,
"formula_full": "Mg1 Co4 O8",
"formula_reduced": "Mg(CoO2)4",
"formula_anonymous": "AB4C8",
"energy": -87.57820884,
"energy_per_atom": -6.736785295384616,
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"updated_at": "2021-11-28T01:34:57.216000Z",
"spacegroup": 8
},
{
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