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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=90",
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"results": [
{
"id": "mp-1651930",
"created_at": "2022-09-04T14:40:15.899206Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n3.073941 0.031554 4.986498\n-1.046875 14.428198 0.649183\n-5.890768 -0.260172 0.241291\nLi Mn Co O\n14 8 2 24\ndirect\n0.168195 0.335124 0.327670 Li\n0.169844 0.340880 0.836969 Li\n0.673522 0.827857 0.333587 Li\n0.671311 0.829699 0.836391 Li\n0.165727 0.832546 0.833473 Li\n0.164428 0.832222 0.333182 Li\n0.347926 0.171984 0.182943 Li\n0.344931 0.169369 0.678605 Li\n0.987440 0.496970 0.484038 Li\n0.988057 0.498288 0.982753 Li\n0.841337 0.673577 0.179331 Li\n0.839091 0.672763 0.677642 Li\n0.492905 0.993234 0.992144 Li\n0.486737 0.988612 0.481807 Li\n0.009393 0.993489 0.001192 Mn\n0.006286 0.993779 0.498435 Mn\n0.322184 0.673918 0.171488 Mn\n0.321800 0.674114 0.670184 Mn\n0.835311 0.165965 0.666341 Mn\n0.835669 0.165208 0.165312 Mn\n0.495919 0.499840 0.497759 Mn\n0.495571 0.501328 0.997754 Mn\n0.667606 0.334590 0.329821 Co\n0.674377 0.334773 0.833734 Co\n0.137638 0.076491 0.309435 O\n0.132758 0.075367 0.805483 O\n0.191727 0.593666 0.861946 O\n0.188435 0.594369 0.361327 O\n0.982935 0.236323 0.479553 O\n0.998814 0.245337 0.019076 O\n0.340714 0.421290 0.152248 O\n0.340079 0.417291 0.648549 O\n0.822646 0.414913 0.662088 O\n0.811899 0.415615 0.137559 O\n0.530004 0.247802 0.526163 O\n0.529094 0.244095 0.006666 O\n0.638272 0.582996 0.343126 O\n0.634423 0.583565 0.835973 O\n0.689151 0.082900 0.320143 O\n0.702356 0.089649 0.857457 O\n0.481327 0.741290 0.995004 O\n0.479593 0.741743 0.493464 O\n0.854058 0.926229 0.177709 O\n0.848613 0.928608 0.677899 O\n0.307996 0.924622 0.150623 O\n0.310014 0.926323 0.653543 O\n0.021147 0.744354 0.015639 O\n0.020741 0.745034 0.516773 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9527422807114876,
"density_atomic": 0.11001995076141581,
"volume": 436.2845071989769,
"volume_molar": 5.473680653665567,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -330.8714789,
"energy_per_atom": -6.893155810416666,
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"band_gap": 0.1593,
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"updated_at": "2021-11-28T01:34:55.234000Z",
"spacegroup": 1
},
{
"id": "mp-1200369",
"created_at": "2022-09-04T14:40:15.904789Z",
"structure_string": "Zn4 S4 O40\n1.0\n4.195911 3.188385 -0.505768\n4.195911 -3.188385 -0.505768\n-1.015296 0.000000 -24.205823\nZn S O\n4 4 40\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.075795 0.924205 0.250000 Zn\n0.924205 0.075795 0.750000 Zn\n0.382664 0.324170 0.385617 S\n0.675830 0.617336 0.114383 S\n0.617336 0.675830 0.614383 S\n0.324170 0.382664 0.885617 S\n0.094506 0.374153 0.378269 O\n0.625847 0.905494 0.121731 O\n0.905494 0.625847 0.621731 O\n0.374153 0.094506 0.878269 O\n0.507920 0.431638 0.337733 O\n0.568362 0.492080 0.162267 O\n0.492080 0.568362 0.662267 O\n0.431638 0.507920 0.837733 O\n0.415801 0.449954 0.438920 O\n0.550046 0.584199 0.061080 O\n0.584199 0.550046 0.561080 O\n0.449954 0.415801 0.938920 O\n0.510816 0.035911 0.394030 O\n0.964089 0.489184 0.105970 O\n0.489184 0.964089 0.605970 O\n0.035911 0.510816 0.894030 O\n0.870328 0.399417 0.462292 O\n0.600583 0.129672 0.037708 O\n0.129672 0.600583 0.537708 O\n0.399417 0.870328 0.962292 O\n0.152614 0.873103 0.427316 O\n0.126897 0.847386 0.072684 O\n0.847386 0.126897 0.572684 O\n0.873103 0.152614 0.927316 O\n0.739332 0.799084 0.483464 O\n0.200916 0.260668 0.016536 O\n0.260668 0.200916 0.516536 O\n0.799084 0.739332 0.983464 O\n0.676719 0.028457 0.225867 O\n0.971543 0.323281 0.274133 O\n0.323281 0.971543 0.774133 O\n0.028457 0.676719 0.725867 O\n0.085547 0.575167 0.216832 O\n0.424833 0.914453 0.283168 O\n0.914453 0.424833 0.783168 O\n0.575167 0.085547 0.716832 O\n0.869438 0.745837 0.301306 O\n0.254163 0.130562 0.198694 O\n0.130562 0.254163 0.698694 O\n0.745837 0.869438 0.801306 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Zn",
"S",
"O"
],
"chemical_system": "O-S-Zn",
"density": 2.6272128509351806,
"density_atomic": 0.0737401724499205,
"volume": 650.9341978091855,
"volume_molar": 8.166702843134582,
"formula_full": "Zn4 S4 O40",
"formula_reduced": "ZnSO10",
"formula_anonymous": "ABC10",
"energy": -221.9834313,
"energy_per_atom": -4.62465481875,
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"updated_at": "2021-11-28T01:34:55.719000Z",
"spacegroup": 15
},
{
"id": "mp-1203019",
"created_at": "2022-09-04T14:40:15.914471Z",
"structure_string": "Ca6 Mn1 Si6 Pb2 S2 O32\n1.0\n6.405176 4.099848 -1.750244\n6.405176 -4.099848 -1.750244\n-0.271473 0.000000 -13.004132\nCa Mn Si Pb S O\n6 1 6 2 2 32\ndirect\n0.445390 0.445390 0.231747 Ca\n0.554610 0.554610 0.768253 Ca\n0.931246 0.466123 0.323818 Ca\n0.466123 0.931246 0.323818 Ca\n0.068754 0.533877 0.676182 Ca\n0.533877 0.068754 0.676182 Ca\n0.500000 0.500000 0.500000 Mn\n0.238673 0.238673 0.485006 Si\n0.761327 0.761327 0.514994 Si\n0.114631 0.761939 0.372230 Si\n0.761939 0.114631 0.372230 Si\n0.885369 0.238061 0.627770 Si\n0.238061 0.885369 0.627770 Si\n0.892552 0.892552 0.130429 Pb\n0.107448 0.107448 0.869571 Pb\n0.232761 0.232761 0.108458 S\n0.767239 0.767239 0.891542 S\n0.275071 0.275071 0.358126 O\n0.724929 0.724929 0.641874 O\n0.674355 0.674355 0.447291 O\n0.325645 0.325645 0.552709 O\n0.001188 0.682153 0.480130 O\n0.682153 0.001188 0.480130 O\n0.998812 0.317847 0.519870 O\n0.317847 0.998812 0.519870 O\n0.097714 0.684160 0.269952 O\n0.684160 0.097714 0.269952 O\n0.902286 0.315840 0.730048 O\n0.315840 0.902286 0.730048 O\n0.679867 0.342887 0.385816 O\n0.342887 0.679867 0.385816 O\n0.320133 0.657113 0.614184 O\n0.657113 0.320133 0.614184 O\n0.002398 0.002398 0.362683 O\n0.997602 0.997602 0.637317 O\n0.219560 0.219560 0.000320 O\n0.780440 0.780440 0.999680 O\n0.345248 0.345248 0.108368 O\n0.654752 0.654752 0.891632 O\n0.034732 0.331869 0.167461 O\n0.331869 0.034732 0.167461 O\n0.965268 0.668131 0.832539 O\n0.668131 0.965268 0.832539 O\n0.729669 0.729669 0.224809 O\n0.270331 0.270331 0.775191 O\n0.736970 0.360893 0.098997 O\n0.360893 0.736970 0.098997 O\n0.263030 0.639107 0.901003 O\n0.639107 0.263030 0.901003 O\n",
"nsites": 49,
"nelements": 6,
"elements": [
"Ca",
"Mn",
"Si",
"Pb",
"S",
"O"
],
"chemical_system": "Ca-Mn-O-Pb-S-Si",
"density": 3.516100829476895,
"density_atomic": 0.07133711233148017,
"volume": 686.8794993034351,
"volume_molar": 8.4418061835992,
"formula_full": "Ca6 Mn1 Si6 Pb2 S2 O32",
"formula_reduced": "Ca6MnSi6Pb2(SO16)2",
"formula_anonymous": "AB2C2D6E6F32",
"energy": -348.7293483,
"energy_per_atom": -7.116925475510205,
"energy_above_hull": null,
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"energy_uncorrected": -325.0773483,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.277000Z",
"spacegroup": 12
},
{
"id": "mp-772543",
"created_at": "2022-09-04T14:40:15.923762Z",
"structure_string": "Li4 Ti3 Mn2 V3 O16\n1.0\n2.928094 5.100690 0.000000\n-2.928094 5.100690 0.000000\n0.000000 0.055596 9.776821\nLi Ti Mn V O\n4 3 2 3 16\ndirect\n0.328664 0.328664 0.894554 Li\n0.003420 0.003420 0.995473 Li\n0.001213 0.001213 0.498470 Li\n0.665810 0.665810 0.393299 Li\n0.661671 0.165139 0.218393 Ti\n0.165139 0.661671 0.218393 Ti\n0.831391 0.831391 0.720511 Ti\n0.329212 0.329212 0.495492 Mn\n0.667061 0.667061 0.992085 Mn\n0.169058 0.169058 0.207966 V\n0.345630 0.813587 0.711748 V\n0.813587 0.345630 0.711748 V\n0.676840 0.162607 0.604239 O\n0.482729 0.482729 0.330553 O\n0.337252 0.337252 0.103986 O\n0.000541 0.000541 0.314487 O\n0.999671 0.999671 0.811325 O\n0.162607 0.676840 0.604239 O\n0.481050 0.035425 0.330457 O\n0.035425 0.481050 0.330457 O\n0.843183 0.843183 0.104130 O\n0.155788 0.155788 0.609766 O\n0.958166 0.513302 0.831489 O\n0.513302 0.958166 0.831489 O\n0.667616 0.667616 0.601733 O\n0.847131 0.322320 0.104783 O\n0.512405 0.512405 0.830625 O\n0.322320 0.847131 0.104783 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-Ti-V",
"density": 3.9236641252522193,
"density_atomic": 0.09587743954387085,
"volume": 292.0395051558295,
"volume_molar": 6.281082169746968,
"formula_full": "Li4 Ti3 Mn2 V3 O16",
"formula_reduced": "Li4Ti3Mn2V3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -231.76878151,
"energy_per_atom": -8.2774564825,
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"updated_at": "2021-11-28T01:34:54.792000Z",
"spacegroup": 8
},
{
"id": "mp-1101237",
"created_at": "2022-09-04T14:40:15.929721Z",
"structure_string": "V6 O7 F5\n1.0\n3.211686 4.625232 0.000000\n-3.211686 4.625232 0.000000\n0.000000 3.200800 6.916445\nV O F\n6 7 5\ndirect\n0.665876 0.665876 0.829827 V\n0.333817 0.333817 0.661539 V\n0.660262 0.660262 0.327376 V\n0.346049 0.346049 0.192447 V\n0.998639 0.998639 0.500322 V\n0.999480 0.999480 0.002498 V\n0.633142 0.032461 0.666007 O\n0.975928 0.367314 0.329479 O\n0.434240 0.434240 0.365738 O\n0.693057 0.299741 0.001703 O\n0.032461 0.633142 0.666007 O\n0.367314 0.975928 0.329479 O\n0.299741 0.693057 0.001703 O\n0.230591 0.230591 0.964952 F\n0.566382 0.566382 0.626165 F\n0.895981 0.895981 0.296977 F\n0.098580 0.098580 0.705503 F\n0.768460 0.768460 0.032276 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 4.14266071991012,
"density_atomic": 0.08759775609389223,
"volume": 205.48471562110086,
"volume_molar": 6.8747660083268896,
"formula_full": "V6 O7 F5",
"formula_reduced": "V6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -148.12543309999998,
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"spacegroup": 8
},
{
"id": "mp-754288",
"created_at": "2022-09-04T14:40:15.939847Z",
"structure_string": "Mg1 Fe11 O18\n1.0\n5.496977 0.000000 0.000000\n-0.698101 7.501601 0.000000\n-2.380916 -3.743204 7.700750\nMg Fe O\n1 11 18\ndirect\n0.714444 0.143106 0.000314 Mg\n0.705201 0.647715 0.001562 Fe\n0.294863 0.855638 0.999744 Fe\n0.626644 0.185545 0.668609 Fe\n0.037345 0.480370 0.667385 Fe\n0.300520 0.348977 0.001062 Fe\n0.958128 0.020011 0.331038 Fe\n0.038491 0.978190 0.667154 Fe\n0.377558 0.315080 0.332753 Fe\n0.625667 0.690359 0.667382 Fe\n0.372731 0.813285 0.333071 Fe\n0.961993 0.516936 0.331116 Fe\n0.395350 0.651375 0.797335 O\n0.594581 0.353773 0.897370 O\n0.933854 0.686485 0.869316 O\n0.065417 0.316158 0.434115 O\n0.729682 0.979389 0.760387 O\n0.034689 0.286819 0.769520 O\n0.631575 0.381368 0.567201 O\n0.291467 0.047332 0.898432 O\n0.266918 0.019108 0.534650 O\n0.731240 0.983525 0.462957 O\n0.698948 0.945817 0.103466 O\n0.369238 0.621730 0.436890 O\n0.965597 0.714073 0.233371 O\n0.933761 0.681800 0.563519 O\n0.265994 0.017667 0.231554 O\n0.394752 0.644852 0.099971 O\n0.078892 0.321245 0.134634 O\n0.604460 0.352273 0.204120 O\n",
"nsites": 30,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.845353042399986,
"density_atomic": 0.09447357490237554,
"volume": 317.54911392948304,
"volume_molar": 6.374418207655413,
"formula_full": "Mg1 Fe11 O18",
"formula_reduced": "MgFe11O18",
"formula_anonymous": "AB11C18",
"energy": -234.46801708,
"energy_per_atom": -7.815600569333333,
"energy_above_hull": null,
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"energy_uncorrected": -197.28601708,
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"updated_at": "2021-11-28T01:34:54.923000Z",
"spacegroup": 1
},
{
"id": "mp-24099",
"created_at": "2022-09-04T14:40:15.947963Z",
"structure_string": "K1 Cr1 H18 N6 Cl4 O8\n1.0\n9.463568 -3.568354 0.000000\n9.463568 3.568354 0.000000\n8.118076 0.000000 6.032338\nK Cr H N Cl O\n1 1 18 6 4 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.972850 0.202262 0.632917 H\n0.027150 0.367083 0.797738 H\n0.797738 0.027150 0.367083 H\n0.367083 0.797738 0.027150 H\n0.027150 0.797738 0.367083 H\n0.367083 0.027150 0.797738 H\n0.797738 0.367083 0.027150 H\n0.972850 0.632917 0.202262 H\n0.202262 0.972850 0.632917 H\n0.632917 0.202262 0.972850 H\n0.810350 0.810350 0.435946 H\n0.435946 0.810350 0.810350 H\n0.810350 0.435946 0.810350 H\n0.189650 0.564054 0.189650 H\n0.189650 0.189650 0.564054 H\n0.564054 0.189650 0.189650 H\n0.632917 0.972850 0.202262 H\n0.202262 0.632917 0.972850 H\n0.899168 0.327584 0.899168 N\n0.672416 0.100832 0.100832 N\n0.327584 0.899168 0.899168 N\n0.899168 0.899168 0.327584 N\n0.100832 0.672416 0.100832 N\n0.100832 0.100832 0.672416 N\n0.814860 0.814860 0.814860 Cl\n0.185140 0.185140 0.185140 Cl\n0.378148 0.378148 0.378148 Cl\n0.621852 0.621852 0.621852 Cl\n0.867352 0.867352 0.867352 O\n0.980114 0.314778 0.314778 O\n0.132648 0.132648 0.132648 O\n0.314778 0.314778 0.980114 O\n0.314778 0.980114 0.314778 O\n0.685222 0.019886 0.685222 O\n0.019886 0.685222 0.685222 O\n0.685222 0.685222 0.019886 O\n",
"nsites": 38,
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"elements": [
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"Cr",
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-H-K-N-O",
"density": 1.887430835983549,
"density_atomic": 0.09327066947349169,
"volume": 407.4163958992481,
"volume_molar": 6.456628642203049,
"formula_full": "K1 Cr1 H18 N6 Cl4 O8",
"formula_reduced": "KCrH18N6(ClO2)4",
"formula_anonymous": "ABC4D6E8F18",
"energy": -198.06580884,
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"updated_at": "2021-11-28T01:34:54.418000Z",
"spacegroup": 166
},
{
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{
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"formula_full": "Ba2 Tl2 Zn3 Cr4 O12",
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{
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"created_at": "2022-09-04T14:40:17.180099Z",
"structure_string": "Cs2 Ce10 Os2 I17\n1.0\n9.910282 -0.008707 -0.619108\n-0.945670 11.065431 -3.522775\n-0.007456 0.005648 11.651090\nCs Ce Os I\n2 10 2 17\ndirect\n0.000000 0.825734 0.174266 Cs\n0.000000 0.174266 0.825734 Cs\n0.556962 0.830870 0.830870 Ce\n0.819748 0.292979 0.292979 Ce\n0.427742 0.790683 0.493715 Ce\n0.572258 0.506285 0.209317 Ce\n0.180252 0.707021 0.707021 Ce\n0.679659 0.563160 0.563160 Ce\n0.320341 0.436839 0.436839 Ce\n0.427742 0.493715 0.790683 Ce\n0.572258 0.209317 0.506285 Ce\n0.443038 0.169130 0.169130 Ce\n0.570534 0.358877 0.358877 Os\n0.429466 0.641123 0.641123 Os\n0.420104 0.970480 0.309924 I\n0.862075 0.114129 0.450627 I\n0.420104 0.309924 0.970480 I\n0.725812 0.747332 0.400382 I\n0.130600 0.211063 0.211063 I\n0.579896 0.690076 0.029520 I\n0.274188 0.599618 0.252668 I\n0.862075 0.450627 0.114129 I\n0.274188 0.252668 0.599618 I\n0.579896 0.029520 0.690076 I\n0.725812 0.400382 0.747332 I\n0.718774 0.062088 0.062088 I\n0.137925 0.549373 0.885871 I\n0.000000 0.500000 0.500000 I\n0.869400 0.788937 0.788937 I\n0.137925 0.885871 0.549373 I\n0.281226 0.937912 0.937912 I\n",
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"formula_full": "Cs2 Ce10 Os2 I17",
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{
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"formula_full": "Sr1 Tb1 Eu1 Fe1 O6",
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{
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"structure_string": "Mn4 Hg10\n1.0\n10.005140 0.000000 0.000000\n0.000000 10.005140 0.000000\n0.000000 0.000000 3.016986\nMn Hg\n4 10\ndirect\n0.319422 0.819422 0.500000 Mn\n0.819422 0.680578 0.500000 Mn\n0.180578 0.319422 0.500000 Mn\n0.680578 0.180578 0.500000 Mn\n0.935778 0.203327 0.000000 Hg\n0.796673 0.935778 0.000000 Hg\n0.296673 0.564222 0.000000 Hg\n0.703327 0.435778 0.000000 Hg\n0.564222 0.703327 0.000000 Hg\n0.435778 0.296673 0.000000 Hg\n0.064222 0.796673 0.000000 Hg\n0.203327 0.064222 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n",
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}