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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=97",
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"results": [
{
"id": "mp-1175068",
"created_at": "2022-09-04T14:39:26.044158Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.882644 0.126509 0.165568\n-0.256469 5.085029 -0.755673\n0.469254 -0.373181 14.875251\nLi Mn Co O\n7 2 3 12\ndirect\n0.931036 0.432010 0.146153 Li\n0.247152 0.753547 0.504754 Li\n0.570009 0.076793 0.838775 Li\n0.432771 0.921597 0.158115 Li\n0.747501 0.258224 0.507611 Li\n0.077608 0.566218 0.843531 Li\n0.499467 0.500554 0.998772 Li\n0.998387 0.999448 0.000171 Mn\n0.837015 0.833611 0.332277 Mn\n0.335191 0.334764 0.331948 Co\n0.666432 0.664298 0.668438 Co\n0.164917 0.164762 0.668950 Co\n0.465325 0.190500 0.074993 O\n0.797534 0.558124 0.407433 O\n0.109066 0.857287 0.741944 O\n0.962539 0.735530 0.077315 O\n0.305470 0.018239 0.406975 O\n0.607276 0.360924 0.744156 O\n0.367998 0.650140 0.259111 O\n0.719094 0.971920 0.589804 O\n0.035918 0.261126 0.922821 O\n0.870543 0.110671 0.260877 O\n0.222571 0.467985 0.588449 O\n0.529179 0.811729 0.926627 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.029271760526702,
"density_atomic": 0.11045047963772879,
"volume": 217.2919491044187,
"volume_molar": 5.4523445980065235,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.57704431,
"energy_per_atom": -6.524043512916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -140.08304431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7926471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.978000Z",
"spacegroup": 1
},
{
"id": "mp-1180341",
"created_at": "2022-09-04T14:39:28.312314Z",
"structure_string": "Mg2 Zn2 Cl8 O12\n1.0\n7.356513 -0.843814 1.200994\n-0.086698 6.414961 0.056376\n2.122217 -0.315194 11.537466\nMg Zn Cl O\n2 2 8 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.660177 0.634006 0.543879 Zn\n0.339823 0.365994 0.456121 Zn\n0.892422 0.273986 0.778332 Cl\n0.107578 0.726014 0.221668 Cl\n0.549018 0.070796 0.680583 Cl\n0.450982 0.929204 0.319417 Cl\n0.289991 0.388752 0.927273 Cl\n0.710009 0.611248 0.072727 Cl\n0.335122 0.578517 0.622883 Cl\n0.664878 0.421483 0.377117 Cl\n0.880642 0.228019 0.906605 O\n0.119358 0.771981 0.093395 O\n0.920504 0.782264 0.892146 O\n0.079496 0.217736 0.107854 O\n0.719696 0.865832 0.086288 O\n0.280304 0.134168 0.913712 O\n0.884377 0.718784 0.574988 O\n0.115623 0.281216 0.425012 O\n0.995093 0.868712 0.314846 O\n0.004907 0.131288 0.685154 O\n0.696445 0.980076 0.555506 O\n0.303555 0.019924 0.444494 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-Zn",
"density": 2.062662705631262,
"density_atomic": 0.04551131217164955,
"volume": 527.3414202930929,
"volume_molar": 13.232184423263858,
"formula_full": "Mg2 Zn2 Cl8 O12",
"formula_reduced": "MgZn(Cl2O3)2",
"formula_anonymous": "ABC4D6",
"energy": -94.63385084,
"energy_per_atom": -3.943077118333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.38985084,
"band_gap": 0.3238999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9955043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.676000Z",
"spacegroup": 2
},
{
"id": "mp-1209697",
"created_at": "2022-09-04T14:39:25.131288Z",
"structure_string": "Rb2 Co2 Br6 O12\n1.0\n-3.111205 -5.536067 -0.524965\n-3.111205 5.536067 -0.524965\n-0.931940 0.000000 -14.198072\nRb Co Br O\n2 2 6 12\ndirect\n0.390059 0.609941 0.750000 Rb\n0.609941 0.390059 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.497454 0.069284 0.874157 Br\n0.502546 0.930716 0.125843 Br\n0.930716 0.502546 0.625843 Br\n0.069284 0.497454 0.374157 Br\n0.869641 0.946709 0.896551 O\n0.130359 0.053290 0.103449 O\n0.053290 0.130359 0.603449 O\n0.946709 0.869641 0.396551 O\n0.190419 0.866591 0.948390 O\n0.809581 0.133409 0.051610 O\n0.133409 0.809581 0.551610 O\n0.866591 0.190419 0.448390 O\n0.676790 0.767073 0.566767 O\n0.323210 0.232927 0.433233 O\n0.232927 0.323210 0.933233 O\n0.767073 0.676790 0.066767 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Co",
"Br",
"O"
],
"chemical_system": "Br-Co-O-Rb",
"density": 3.2966040794504843,
"density_atomic": 0.04548520693628969,
"volume": 483.67373662419527,
"volume_molar": 13.239778744845777,
"formula_full": "Rb2 Co2 Br6 O12",
"formula_reduced": "RbCo(BrO2)3",
"formula_anonymous": "ABC3D6",
"energy": -95.02938827999998,
"energy_per_atom": -4.319517649090908,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.50938828,
"band_gap": 0.1938999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.437000Z",
"spacegroup": 15
},
{
"id": "mp-1096250",
"created_at": "2022-09-04T14:39:30.741305Z",
"structure_string": "Ti1 V1 Mo2\n1.0\n-4.440905 5.234248 7.457810\n4.440905 -5.234248 7.457810\n4.440905 5.234248 -7.457810\nTi V Mo\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 V\n0.000000 0.248196 0.248196 Mo\n0.000000 0.751804 0.751804 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Mo"
],
"chemical_system": "Mo-Ti-V",
"density": 0.6961131911739857,
"density_atomic": 0.00576850012792557,
"volume": 693.4211513034072,
"volume_molar": 104.39699447775939,
"formula_full": "Ti1 V1 Mo2",
"formula_reduced": "TiVMo2",
"formula_anonymous": "ABC2",
"energy": -22.05251009,
"energy_per_atom": -5.5131275225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.05251009,
"band_gap": 0.2081999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4291795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.522000Z",
"spacegroup": 71
},
{
"id": "mp-765395",
"created_at": "2022-09-04T14:39:28.049772Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n-9.741335 0.000000 0.000000\n4.864453 8.458225 0.000000\n-0.023501 -0.080555 -14.109069\nLi V P O\n8 6 16 58\ndirect\n0.237160 0.903839 0.057396 Li\n0.671817 0.768300 0.058454 Li\n0.098382 0.334901 0.060131 Li\n0.762377 0.665890 0.440916 Li\n0.233230 0.335035 0.558019 Li\n0.326041 0.091166 0.440700 Li\n0.000819 0.003953 0.996458 Li\n0.956240 0.995272 0.503284 Li\n0.565767 0.567001 0.246006 V\n0.437291 0.434643 0.755268 V\n0.002146 0.566590 0.748733 V\n0.996652 0.433653 0.253385 V\n0.437613 0.998804 0.251859 V\n0.566360 0.000830 0.746749 V\n0.224148 0.913509 0.840158 P\n0.082230 0.775822 0.342846 P\n0.694741 0.916486 0.344094 P\n0.329303 0.664056 0.130077 P\n0.333422 0.663564 0.631077 P\n0.689473 0.779887 0.840652 P\n0.775245 0.686386 0.658665 P\n0.085896 0.312300 0.844680 P\n0.918424 0.692104 0.155936 P\n0.228063 0.316114 0.342366 P\n0.308391 0.221592 0.160316 P\n0.666003 0.337171 0.370026 P\n0.670239 0.332636 0.868179 P\n0.311272 0.089208 0.657509 P\n0.915339 0.220959 0.660572 P\n0.778719 0.084224 0.158819 P\n0.228186 0.015085 0.566990 O\n0.254940 0.915553 0.341371 O\n0.008749 0.789086 0.072395 O\n0.085017 0.740940 0.830401 O\n0.382471 0.915825 0.825682 O\n0.323013 0.810741 0.170468 O\n0.537895 0.920102 0.330685 O\n0.794842 0.997696 0.075313 O\n0.655186 0.917497 0.831023 O\n0.185734 0.661869 0.678643 O\n0.082772 0.617362 0.328305 O\n0.478737 0.813810 0.675778 O\n0.319522 0.653156 0.024368 O\n0.327370 0.658265 0.526177 O\n0.487445 0.675851 0.166822 O\n0.084836 0.467867 0.829576 O\n0.185675 0.511959 0.175337 O\n0.656591 0.741160 0.334059 O\n0.797277 0.797331 0.749755 O\n0.783996 0.769540 0.568724 O\n0.772191 0.788176 0.931066 O\n0.531468 0.620758 0.826971 O\n0.333235 0.513911 0.672194 O\n0.746033 0.661049 0.156872 O\n0.381295 0.471891 0.327757 O\n0.083789 0.341978 0.333125 O\n0.000133 0.797170 0.249638 O\n0.991139 0.780707 0.426659 O\n0.005981 0.205615 0.579816 O\n0.914174 0.652436 0.667481 O\n0.617408 0.531372 0.674237 O\n0.259289 0.346021 0.830943 O\n0.673814 0.489062 0.329152 O\n0.465157 0.380884 0.171827 O\n0.207155 0.212027 0.078562 O\n0.222790 0.232421 0.433108 O\n0.209293 0.198128 0.257054 O\n0.343346 0.262330 0.663641 O\n0.816233 0.476419 0.821400 O\n0.919492 0.535301 0.171098 O\n0.521712 0.336698 0.822926 O\n0.665747 0.332775 0.972635 O\n0.675162 0.341214 0.475151 O\n0.512478 0.188865 0.331208 O\n0.921351 0.381381 0.669787 O\n0.811585 0.332766 0.320245 O\n0.343489 0.083047 0.161539 O\n0.203891 0.003451 0.749454 O\n0.212120 0.986596 0.930674 O\n0.467980 0.087465 0.672097 O\n0.663760 0.183528 0.821152 O\n0.620729 0.081691 0.170093 O\n0.918781 0.258499 0.162041 O\n0.019893 0.230448 0.936220 O\n0.989393 0.197207 0.758258 O\n0.740807 0.084758 0.663451 O\n0.787354 0.990540 0.430447 O\n0.801100 0.003744 0.252607 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.54931616657552,
"density_atomic": 0.07569838293319743,
"volume": 1162.5083203911838,
"volume_molar": 7.955441750076009,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -669.9682064900001,
"energy_per_atom": -7.613275073750001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -619.92220649,
"band_gap": 0.8230999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.411000Z",
"spacegroup": 1
},
{
"id": "mp-555844",
"created_at": "2022-09-04T14:39:28.070332Z",
"structure_string": "Mn4 Sb4 S8 Cl4\n1.0\n3.821511 0.000000 0.000000\n0.000000 9.571981 0.000000\n0.000000 0.000000 12.367075\nMn Sb S Cl\n4 4 8 4\ndirect\n0.250000 0.496202 0.763838 Mn\n0.750000 0.503798 0.236162 Mn\n0.250000 0.996202 0.736162 Mn\n0.750000 0.003798 0.263838 Mn\n0.750000 0.811309 0.963367 Sb\n0.750000 0.311309 0.536633 Sb\n0.250000 0.688691 0.463367 Sb\n0.250000 0.188691 0.036633 Sb\n0.250000 0.253779 0.675513 S\n0.750000 0.746221 0.324487 S\n0.750000 0.050511 0.882294 S\n0.750000 0.246221 0.175513 S\n0.250000 0.949489 0.117706 S\n0.250000 0.753779 0.824487 S\n0.750000 0.550511 0.617706 S\n0.250000 0.449489 0.382294 S\n0.750000 0.935836 0.614176 Cl\n0.750000 0.435836 0.885824 Cl\n0.250000 0.064164 0.385824 Cl\n0.250000 0.564164 0.114176 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-Mn-S-Sb",
"density": 4.056544479520479,
"density_atomic": 0.044210564397053426,
"volume": 452.3805627175611,
"volume_molar": 13.621497128865805,
"formula_full": "Mn4 Sb4 S8 Cl4",
"formula_reduced": "MnSbS2Cl",
"formula_anonymous": "ABCD2",
"energy": -111.49924522,
"energy_per_atom": -5.5749622610000005,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -105.01924522,
"band_gap": 0.0,
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"total_magnetization": 20.0000001,
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"updated_at": "2021-11-28T01:34:32.399000Z",
"spacegroup": 62
},
{
"id": "mp-772994",
"created_at": "2022-09-04T14:39:28.202065Z",
"structure_string": "Li6 Ti15 Co3 O32\n1.0\n5.995603 -5.982382 0.000000\n5.995603 5.982382 0.000000\n0.026414 0.000000 8.469679\nLi Ti Co O\n6 15 3 32\ndirect\n0.251190 0.251190 0.251190 Li\n0.248263 0.748985 0.748985 Li\n0.998795 0.998795 0.998795 Li\n0.748985 0.748985 0.248263 Li\n0.748985 0.248263 0.748985 Li\n0.624611 0.624611 0.624611 Li\n0.382418 0.625648 0.382418 Ti\n0.382418 0.382418 0.625648 Ti\n0.374082 0.877166 0.122331 Ti\n0.374082 0.122331 0.877166 Ti\n0.122040 0.626298 0.122040 Ti\n0.122331 0.374082 0.877166 Ti\n0.122331 0.877166 0.374082 Ti\n0.122040 0.122040 0.626298 Ti\n0.877166 0.374082 0.122331 Ti\n0.871904 0.625039 0.871904 Ti\n0.877166 0.122331 0.374082 Ti\n0.871904 0.871904 0.625039 Ti\n0.625648 0.382418 0.382418 Ti\n0.626298 0.122040 0.122040 Ti\n0.625039 0.871904 0.871904 Ti\n0.501109 0.000313 0.501109 Co\n0.000313 0.501109 0.501109 Co\n0.501109 0.501109 0.000313 Co\n0.386274 0.886415 0.886415 O\n0.387491 0.387491 0.387491 O\n0.386414 0.113408 0.113408 O\n0.366041 0.366041 0.865065 O\n0.373717 0.609124 0.609124 O\n0.366041 0.865065 0.366041 O\n0.361735 0.137403 0.635714 O\n0.361735 0.635714 0.137403 O\n0.137851 0.137851 0.862643 O\n0.137403 0.635714 0.361735 O\n0.137403 0.361735 0.635714 O\n0.113408 0.113408 0.386414 O\n0.137851 0.862643 0.137851 O\n0.112017 0.613056 0.888625 O\n0.112017 0.888625 0.613056 O\n0.113408 0.386414 0.113408 O\n0.888625 0.112017 0.613056 O\n0.888625 0.613056 0.112017 O\n0.886415 0.886415 0.386274 O\n0.875713 0.639210 0.639210 O\n0.886415 0.386274 0.886415 O\n0.862643 0.137851 0.137851 O\n0.862261 0.862261 0.862261 O\n0.865065 0.366041 0.366041 O\n0.639210 0.875713 0.639210 O\n0.635714 0.361735 0.137403 O\n0.639210 0.639210 0.875713 O\n0.613056 0.888625 0.112017 O\n0.635714 0.137403 0.361735 O\n0.609124 0.373717 0.609124 O\n0.613056 0.112017 0.888625 O\n0.609124 0.609124 0.373717 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 3.958613197463966,
"density_atomic": 0.09216882926591391,
"volume": 607.5806804319478,
"volume_molar": 6.53381496538887,
"formula_full": "Li6 Ti15 Co3 O32",
"formula_reduced": "Li6Ti15Co3O32",
"formula_anonymous": "A3B6C15D32",
"energy": -480.50196982,
"energy_per_atom": -8.580392318214285,
"energy_above_hull": null,
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"energy_uncorrected": -453.6039698199999,
"band_gap": 0.0,
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"total_magnetization": 12.6898736,
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"updated_at": "2021-11-28T01:34:30.218000Z",
"spacegroup": 160
},
{
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