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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12158",
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"results": [
{
"id": "mp-1041120",
"created_at": "2022-09-04T14:40:17.088924Z",
"structure_string": "Ho2 Zn2 Cr4 O12\n1.0\n5.200117 0.000000 0.000000\n0.000000 5.391066 0.000000\n0.000000 0.000000 7.616145\nHo Zn Cr O\n2 2 4 12\ndirect\n0.013376 0.680870 0.000000 Ho\n0.513376 0.319130 0.500000 Ho\n0.495950 0.219992 0.000000 Zn\n0.995950 0.780008 0.500000 Zn\n0.998074 0.239486 0.748786 Cr\n0.998074 0.239486 0.251214 Cr\n0.498074 0.760514 0.248786 Cr\n0.498074 0.760514 0.751214 Cr\n0.107342 0.186511 0.500000 O\n0.197522 0.941730 0.811182 O\n0.197522 0.941730 0.188818 O\n0.319295 0.443888 0.808728 O\n0.319295 0.443888 0.191272 O\n0.377048 0.715847 0.500000 O\n0.607342 0.813489 0.000000 O\n0.697522 0.058270 0.311182 O\n0.697522 0.058270 0.688818 O\n0.819295 0.556112 0.691272 O\n0.819295 0.556112 0.308728 O\n0.877048 0.284153 0.000000 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cr-Ho-O-Zn",
"density": 6.693536714341393,
"density_atomic": 0.09367140363544588,
"volume": 213.5123337943862,
"volume_molar": 6.429006640529493,
"formula_full": "Ho2 Zn2 Cr4 O12",
"formula_reduced": "HoZnCr2O6",
"formula_anonymous": "ABC2D6",
"energy": -159.69847388000002,
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"energy_uncorrected": -143.45847388,
"band_gap": 0.1129000000000002,
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"updated_at": "2021-11-28T01:34:59.662000Z",
"spacegroup": 31
},
{
"id": "mp-757101",
"created_at": "2022-09-04T14:40:15.456569Z",
"structure_string": "Li4 Cu2 Si8 O20\n1.0\n6.887470 0.000000 0.000000\n-3.330181 6.580730 0.000000\n-2.166907 -3.074063 8.858395\nLi Cu Si O\n4 2 8 20\ndirect\n0.369052 0.258739 0.024376 Li\n0.218407 0.701297 0.565664 Li\n0.781593 0.298703 0.434336 Li\n0.630948 0.741261 0.975624 Li\n0.239761 0.295448 0.430081 Cu\n0.760239 0.704552 0.569919 Cu\n0.239223 0.964233 0.184751 Si\n0.403816 0.666929 0.264167 Si\n0.801651 0.612647 0.238942 Si\n0.902050 0.278074 0.148291 Si\n0.097950 0.721926 0.851709 Si\n0.198349 0.387353 0.761058 Si\n0.596184 0.333071 0.735833 Si\n0.760777 0.035767 0.815249 Si\n0.210789 0.934092 0.003139 O\n0.143197 0.474557 0.148273 O\n0.427212 0.898162 0.258523 O\n0.569354 0.629988 0.173738 O\n0.984571 0.797161 0.187255 O\n0.719237 0.370327 0.126475 O\n0.467787 0.667347 0.435847 O\n0.327881 0.212689 0.258084 O\n0.069705 0.780955 0.699282 O\n0.115853 0.372825 0.587299 O\n0.884147 0.627175 0.412701 O\n0.930295 0.219045 0.300718 O\n0.672119 0.787311 0.741916 O\n0.532213 0.332653 0.564153 O\n0.280763 0.629673 0.873525 O\n0.015429 0.202839 0.812745 O\n0.430646 0.370012 0.826262 O\n0.572788 0.101838 0.741477 O\n0.856803 0.525443 0.851727 O\n0.789211 0.065908 0.996861 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Li-O-Si",
"density": 2.893112792512669,
"density_atomic": 0.08468180033122652,
"volume": 401.5030368628388,
"volume_molar": 7.1114935398690715,
"formula_full": "Li4 Cu2 Si8 O20",
"formula_reduced": "Li2Cu(Si2O5)2",
"formula_anonymous": "AB2C4D10",
"energy": -253.43611172,
"energy_per_atom": -7.4540032858823535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.69611172,
"band_gap": 0.7930999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9778589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.813000Z",
"spacegroup": 2
},
{
"id": "mp-1105173",
"created_at": "2022-09-04T14:40:15.457776Z",
"structure_string": "Li4 Fe2 Sn2 S8\n1.0\n6.851226 0.000000 0.000000\n0.000000 6.458008 0.000000\n0.000000 6.430084 7.971428\nLi Fe Sn S\n4 2 2 8\ndirect\n0.335359 0.303621 0.568394 Li\n0.664641 0.303621 0.068394 Li\n0.160461 0.047211 0.325810 Li\n0.839539 0.047211 0.825810 Li\n0.172705 0.552324 0.819208 Fe\n0.827295 0.552324 0.319208 Fe\n0.326562 0.803414 0.071639 Sn\n0.673438 0.803414 0.571639 Sn\n0.317593 0.197308 0.060724 S\n0.682407 0.197308 0.560724 S\n0.853349 0.435342 0.821546 S\n0.146651 0.435342 0.321546 S\n0.331436 0.671538 0.583485 S\n0.668564 0.671538 0.083485 S\n0.172505 0.909542 0.819394 S\n0.827495 0.909542 0.319394 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sn",
"S"
],
"chemical_system": "Fe-Li-S-Sn",
"density": 2.9820851655853184,
"density_atomic": 0.04536458919830319,
"volume": 352.6980026217996,
"volume_molar": 13.274981359745789,
"formula_full": "Li4 Fe2 Sn2 S8",
"formula_reduced": "Li2FeSnS4",
"formula_anonymous": "ABC2D4",
"energy": -81.6869479,
"energy_per_atom": -5.10543424375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.6629479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0032419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.427000Z",
"spacegroup": 7
},
{
"id": "mp-1096262",
"created_at": "2022-09-04T14:40:15.463965Z",
"structure_string": "Mg1 Zr2 Tc1\n1.0\n-5.443746 7.377072 10.374499\n5.443746 -7.377072 10.374499\n5.443746 7.377072 -10.374499\nMg Zr Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.293899 0.293898 Zr\n0.000000 0.706102 0.706102 Zr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Tc"
],
"chemical_system": "Mg-Tc-Zr",
"density": 0.30366034917243634,
"density_atomic": 0.0024002196750537194,
"volume": 1666.51412850804,
"volume_molar": 250.89956651010365,
"formula_full": "Mg1 Zr2 Tc1",
"formula_reduced": "MgZr2Tc",
"formula_anonymous": "ABC2",
"energy": -16.7792213,
"energy_per_atom": -4.194805325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.7792213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2868335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.263000Z",
"spacegroup": 71
},
{
"id": "mp-556604",
"created_at": "2022-09-04T14:40:15.466621Z",
"structure_string": "Ba4 Cu4 P4 Cl4 O16\n1.0\n7.384587 0.000000 0.000000\n0.000000 7.995103 0.000000\n0.000000 0.000000 8.810260\nBa Cu P Cl O\n4 4 4 4 16\ndirect\n0.373737 0.017603 0.297570 Ba\n0.126263 0.982397 0.797570 Ba\n0.873737 0.482397 0.702430 Ba\n0.626263 0.517603 0.202430 Ba\n0.864799 0.015438 0.182471 Cu\n0.364799 0.484562 0.817529 Cu\n0.135201 0.515438 0.317529 Cu\n0.635201 0.984562 0.682471 Cu\n0.373228 0.683759 0.581244 P\n0.873228 0.816241 0.418756 P\n0.126772 0.316241 0.081244 P\n0.626772 0.183759 0.918756 P\n0.330274 0.738241 0.041506 Cl\n0.169726 0.261759 0.541506 Cl\n0.669726 0.238241 0.458494 Cl\n0.830274 0.761759 0.958494 Cl\n0.162983 0.360301 0.912586 O\n0.975308 0.422958 0.155388 O\n0.706788 0.850269 0.312989 O\n0.921759 0.626012 0.414702 O\n0.293212 0.350269 0.187011 O\n0.578241 0.373988 0.914702 O\n0.337017 0.639699 0.412586 O\n0.524692 0.577042 0.655388 O\n0.793212 0.149731 0.812989 O\n0.024692 0.922958 0.344612 O\n0.421759 0.873988 0.585298 O\n0.837017 0.860301 0.587414 O\n0.475308 0.077042 0.844612 O\n0.662983 0.139699 0.087414 O\n0.078241 0.126012 0.085298 O\n0.206788 0.649731 0.687011 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ba",
"Cu",
"P",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Cu-O-P",
"density": 4.230464616555359,
"density_atomic": 0.061519242425842,
"volume": 520.1624522371875,
"volume_molar": 9.78903595449725,
"formula_full": "Ba4 Cu4 P4 Cl4 O16",
"formula_reduced": "BaCuPClO4",
"formula_anonymous": "ABCDE4",
"energy": -212.36813405,
"energy_per_atom": -6.6365041890625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -198.92013405,
"band_gap": 0.4649999999999998,
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"is_magnetic": true,
"total_magnetization": 4.0009893,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.075000Z",
"spacegroup": 19
},
{
"id": "mp-1233681",
"created_at": "2022-09-04T14:40:15.467525Z",
"structure_string": "Rb2 Ca1 Nd2 W4 O16\n1.0\n7.203479 0.079752 3.652862\n-1.748168 6.988590 3.652862\n0.152870 0.198071 7.660811\nRb Ca Nd W O\n2 1 2 4 16\ndirect\n0.926627 0.073373 0.750000 Rb\n0.198355 0.801644 0.250000 Rb\n0.668753 0.331247 0.750000 Ca\n0.219984 0.780016 0.750000 Nd\n0.765798 0.234202 0.250000 Nd\n0.677440 0.710542 0.805436 W\n0.676520 0.706389 0.301922 W\n0.293611 0.323480 0.198078 W\n0.289458 0.322560 0.694564 W\n0.605120 0.403129 0.462246 O\n0.277872 0.067315 0.762054 O\n0.028283 0.327819 0.876371 O\n0.283820 0.068045 0.390540 O\n0.731275 0.651062 0.552132 O\n0.348938 0.268725 0.947868 O\n0.672181 0.971717 0.623629 O\n0.383919 0.621783 0.547424 O\n0.037073 0.308459 0.273563 O\n0.691541 0.962927 0.226437 O\n0.378217 0.616081 0.952576 O\n0.931955 0.716180 0.109460 O\n0.256055 0.389019 0.420922 O\n0.610981 0.743945 0.079078 O\n0.932685 0.722128 0.737946 O\n0.596871 0.394880 0.037754 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Rb",
"Ca",
"Nd",
"W",
"O"
],
"chemical_system": "Ca-Nd-O-Rb-W",
"density": 6.5771611498550975,
"density_atomic": 0.06641956500481394,
"volume": 376.39511788714753,
"volume_molar": 9.066817525172786,
"formula_full": "Rb2 Ca1 Nd2 W4 O16",
"formula_reduced": "Rb2CaNd2(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -209.36542824000003,
"energy_per_atom": -8.3746171296,
"energy_above_hull": null,
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"energy_uncorrected": -180.62142824,
"band_gap": 1.9984,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.837000Z",
"spacegroup": 5
},
{
"id": "mp-31729",
"created_at": "2022-09-04T14:40:17.874692Z",
"structure_string": "Li6 Cr4 P6 O24\n1.0\n4.341884 7.454723 0.000000\n-4.341884 7.454723 0.000000\n0.000000 4.768034 7.123517\nLi Cr P O\n6 4 6 24\ndirect\n0.682870 0.942156 0.809075 Li\n0.308938 0.059908 0.211454 Li\n0.059908 0.308938 0.711454 Li\n0.635260 0.375288 0.749805 Li\n0.375288 0.635260 0.249805 Li\n0.942156 0.682870 0.309074 Li\n0.641445 0.146031 0.143997 Cr\n0.146031 0.641445 0.643997 Cr\n0.852389 0.356085 0.368854 Cr\n0.356085 0.852389 0.868854 Cr\n0.043561 0.954261 0.256535 P\n0.524162 0.752228 0.464027 P\n0.474212 0.245531 0.549451 P\n0.954261 0.043561 0.756535 P\n0.752228 0.524162 0.964027 P\n0.245531 0.474212 0.049451 P\n0.706951 0.377075 0.951542 O\n0.058307 0.467305 0.210462 O\n0.014665 0.111380 0.315904 O\n0.111380 0.014665 0.815904 O\n0.886935 0.983526 0.196572 O\n0.983526 0.886935 0.696572 O\n0.939022 0.531343 0.803061 O\n0.597661 0.722772 0.932013 O\n0.526325 0.241523 0.354389 O\n0.241568 0.935158 0.100028 O\n0.755229 0.472110 0.159585 O\n0.291038 0.621533 0.061243 O\n0.722772 0.597661 0.432013 O\n0.377075 0.706951 0.451542 O\n0.398529 0.275145 0.084153 O\n0.935158 0.241568 0.600028 O\n0.062708 0.756843 0.413399 O\n0.472110 0.755229 0.659585 O\n0.621533 0.291038 0.561243 O\n0.275145 0.398529 0.584153 O\n0.467305 0.058307 0.710462 O\n0.241523 0.526325 0.854389 O\n0.756843 0.062708 0.913399 O\n0.531343 0.939022 0.303061 O\n",
"nsites": 40,
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"elements": [
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"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9508145221463526,
"density_atomic": 0.08674127538522342,
"volume": 461.1414787522723,
"volume_molar": 6.9426472383018325,
"formula_full": "Li6 Cr4 P6 O24",
"formula_reduced": "Li3Cr2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -307.44516303999995,
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"energy_uncorrected": -282.96116304,
"band_gap": 3.008900000000001,
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"updated_at": "2021-11-28T01:34:55.542000Z",
"spacegroup": 9
},
{
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