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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10184",
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"results": [
{
"id": "mp-1181907",
"created_at": "2022-09-04T14:47:22.625155Z",
"structure_string": "Co2 Br4 O12\n1.0\n5.452123 0.000000 0.000000\n0.000000 8.329938 0.000000\n0.000000 2.985649 10.863326\nCo Br O\n2 4 12\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.750000 0.734248 0.895208 Br\n0.250000 0.265752 0.104792 Br\n0.750000 0.624212 0.445771 Br\n0.250000 0.375788 0.554229 Br\n0.750000 0.330606 0.847125 O\n0.250000 0.669394 0.152875 O\n0.750000 0.442753 0.101413 O\n0.250000 0.557247 0.898587 O\n0.750000 0.176567 0.876488 O\n0.250000 0.823433 0.123512 O\n0.750000 0.232505 0.364778 O\n0.250000 0.767495 0.635222 O\n0.750000 0.457810 0.575869 O\n0.250000 0.542190 0.424131 O\n0.750000 0.103056 0.449115 O\n0.250000 0.896944 0.550885 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Br",
"O"
],
"chemical_system": "Br-Co-O",
"density": 2.118641566183062,
"density_atomic": 0.03648398584972148,
"volume": 493.3671467295949,
"volume_molar": 16.506257799806633,
"formula_full": "Co2 Br4 O12",
"formula_reduced": "Co(BrO3)2",
"formula_anonymous": "AB2C6",
"energy": -82.22133456,
"energy_per_atom": -4.56785192,
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"energy_uncorrected": -77.01333456,
"band_gap": 0.3973000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.520000Z",
"spacegroup": 11
},
{
"id": "mp-23047",
"created_at": "2022-09-04T14:47:22.632535Z",
"structure_string": "Ho6 Mn1 Bi2\n1.0\n4.144897 -7.179172 0.000000\n4.144897 7.179172 0.000000\n0.000000 0.000000 4.268183\nHo Mn Bi\n6 1 2\ndirect\n0.232668 0.000000 0.000000 Ho\n0.000000 0.607457 0.500000 Ho\n0.392543 0.392543 0.500000 Ho\n0.767332 0.767332 0.000000 Ho\n0.000000 0.232668 0.000000 Ho\n0.607457 0.000000 0.500000 Ho\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"Bi"
],
"chemical_system": "Bi-Ho-Mn",
"density": 9.56044553451306,
"density_atomic": 0.035430834457055436,
"volume": 254.01603258620983,
"volume_molar": 16.996892261454473,
"formula_full": "Ho6 Mn1 Bi2",
"formula_reduced": "Ho6MnBi2",
"formula_anonymous": "AB2C6",
"energy": -48.07697295,
"energy_per_atom": -5.341885883333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -48.07697295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1227263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.931000Z",
"spacegroup": 189
},
{
"id": "mp-1028405",
"created_at": "2022-09-04T14:47:22.641508Z",
"structure_string": "Mg14 Co1 C1\n1.0\n3.835143 -4.952745 0.000000\n3.835143 4.952745 0.000000\n0.000000 0.000000 8.729846\nMg Co C\n14 1 1\ndirect\n0.863490 0.136510 0.000000 Mg\n0.321876 0.678124 0.000000 Mg\n0.343963 0.053001 0.500000 Mg\n0.391024 0.202616 0.000000 Mg\n0.946999 0.656037 0.500000 Mg\n0.797384 0.608976 0.000000 Mg\n0.200789 0.413849 0.325489 Mg\n0.200789 0.413849 0.674511 Mg\n0.586151 0.799211 0.325489 Mg\n0.586151 0.799211 0.674511 Mg\n0.696090 0.303910 0.289914 Mg\n0.696090 0.303910 0.710086 Mg\n0.078698 0.921302 0.235889 Mg\n0.078698 0.921302 0.764111 Mg\n0.901188 0.098812 0.500000 Co\n0.310628 0.689372 0.500000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"C"
],
"chemical_system": "C-Co-Mg",
"density": 2.0589830440159096,
"density_atomic": 0.04824539586261629,
"volume": 331.6378633426833,
"volume_molar": 12.482311839970519,
"formula_full": "Mg14 Co1 C1",
"formula_reduced": "Mg14CoC",
"formula_anonymous": "ABC14",
"energy": -35.62129922,
"energy_per_atom": -2.22633120125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.62129922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6186305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.510000Z",
"spacegroup": 38
},
{
"id": "mp-1192008",
"created_at": "2022-09-04T14:47:22.662415Z",
"structure_string": "Lu2 Fe12 P7\n1.0\n0.000000 0.000000 -3.619433\n-4.468601 -7.730807 0.000000\n-4.469924 7.731570 0.000000\nLu Fe P\n2 12 7\ndirect\n0.000000 0.666374 0.333113 Lu\n0.500000 0.333569 0.666870 Lu\n0.000000 0.371699 0.943875 Fe\n0.000000 0.056171 0.428040 Fe\n0.000000 0.572263 0.628450 Fe\n0.000000 0.880731 0.723670 Fe\n0.000000 0.275955 0.156738 Fe\n0.000000 0.843339 0.119324 Fe\n0.500000 0.951460 0.566913 Fe\n0.500000 0.433131 0.384469 Fe\n0.500000 0.615272 0.048524 Fe\n0.500000 0.120135 0.904541 Fe\n0.500000 0.095619 0.215665 Fe\n0.500000 0.784359 0.879845 Fe\n0.000000 0.116511 0.704114 P\n0.000000 0.296601 0.412556 P\n0.000000 0.587667 0.884078 P\n0.500000 0.710507 0.596552 P\n0.500000 0.403156 0.114137 P\n0.500000 0.885437 0.288734 P\n0.000000 0.000045 0.999793 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"P"
],
"chemical_system": "Fe-Lu-P",
"density": 8.211597108426224,
"density_atomic": 0.08395887965903223,
"volume": 250.1224419058912,
"volume_molar": 7.1727264399628545,
"formula_full": "Lu2 Fe12 P7",
"formula_reduced": "Lu2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy": -163.65726356,
"energy_per_atom": -7.793203026666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.65726356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1012735,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.879000Z",
"spacegroup": 174
},
{
"id": "mp-1234362",
"created_at": "2022-09-04T14:47:22.686651Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n7.132699 -0.086343 -2.571947\n-0.754543 7.622217 -1.532391\n0.109850 0.007324 10.885962\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.750148 0.104442 0.779513 K\n0.223751 0.968052 0.185806 K\n0.410290 0.515503 0.283088 Mg\n0.710621 0.296639 0.338747 Fe\n0.336320 0.683782 0.677472 Fe\n0.498899 0.499384 0.992282 Fe\n0.011965 0.994766 0.508982 Fe\n0.650653 0.727913 0.517758 P\n0.321805 0.288996 0.482863 P\n0.307059 0.086640 0.818120 P\n0.700377 0.888500 0.203818 P\n0.061605 0.595624 0.843452 P\n0.940860 0.410616 0.148166 P\n0.675476 0.555370 0.434195 O\n0.260581 0.449335 0.553850 O\n0.797460 0.880495 0.554052 O\n0.202455 0.115248 0.454037 O\n0.602624 0.051081 0.233248 O\n0.410197 0.927844 0.788543 O\n0.443920 0.250612 0.876411 O\n0.559856 0.724229 0.146890 O\n0.880593 0.873014 0.315742 O\n0.126699 0.099603 0.705575 O\n0.919709 0.366561 0.269005 O\n0.106955 0.650736 0.732444 O\n0.800544 0.475428 0.042284 O\n0.204947 0.543066 0.956870 O\n0.360367 0.312408 0.356917 O\n0.570981 0.718676 0.625995 O\n0.863990 0.195444 0.495156 F\n0.167410 0.793503 0.532892 F\n0.505516 0.380553 0.162609 F\n0.490888 0.597699 0.826064 F\n0.777083 0.915566 0.087007 F\n0.229993 0.053380 0.933971 F\n0.890096 0.449246 0.779532 F\n0.131070 0.551684 0.202765 F\n0.522166 0.259955 0.582504 F\n0.459612 0.772073 0.394787 F\n0.028753 0.253833 0.079778 F\n0.960707 0.747503 0.903066 F\n",
"nsites": 41,
"nelements": 6,
"elements": [
"K",
"Mg",
"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-K-Mg-O-P",
"density": 2.7863483785405423,
"density_atomic": 0.0690945304028363,
"volume": 593.3899508537216,
"volume_molar": 8.715799535635595,
"formula_full": "K2 Mg1 Fe4 P6 O16 F12",
"formula_reduced": "K2MgFe4P6(O4F3)4",
"formula_anonymous": "AB2C4D6E12F16",
"energy": -282.16816377,
"energy_per_atom": -6.882150335853658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.60816377,
"band_gap": 1.5774000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.514000Z",
"spacegroup": 1
},
{
"id": "mp-1213311",
"created_at": "2022-09-04T14:47:22.690956Z",
"structure_string": "Li12 Nb2 O12\n1.0\n-3.013785 -5.220028 -0.213637\n-2.602583 4.982621 0.106818\n0.292604 0.506805 -9.009260\nLi Nb O\n12 2 12\ndirect\n0.857082 0.834522 0.684620 Li\n0.142918 0.165478 0.315380 Li\n0.545766 0.708767 0.129985 Li\n0.477440 0.834522 0.815380 Li\n0.454234 0.291233 0.870015 Li\n0.522560 0.165478 0.184620 Li\n0.877495 0.391857 0.870772 Li\n0.663001 0.708767 0.370015 Li\n0.122505 0.608143 0.129228 Li\n0.336999 0.291233 0.629985 Li\n0.014363 0.391857 0.629228 Li\n0.985637 0.608143 0.370772 Li\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.724908 0.667568 0.888073 O\n0.275092 0.332432 0.111927 O\n0.747327 0.129779 0.041264 O\n0.442660 0.667568 0.611927 O\n0.252673 0.870221 0.958736 O\n0.557340 0.332432 0.388073 O\n0.097884 0.220912 0.805761 O\n0.882452 0.129779 0.458736 O\n0.902116 0.779088 0.194239 O\n0.117548 0.870221 0.541264 O\n0.623027 0.220912 0.694239 O\n0.376973 0.779088 0.305761 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 2.9645317028867013,
"density_atomic": 0.10066709253879591,
"volume": 258.2770530496836,
"volume_molar": 5.982233725166085,
"formula_full": "Li12 Nb2 O12",
"formula_reduced": "Li6NbO6",
"formula_anonymous": "AB6C6",
"energy": -161.3601904,
"energy_per_atom": -6.206161169230769,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -153.1161904,
"band_gap": 0.0615,
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"is_magnetic": true,
"total_magnetization": 2.0006293,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.757000Z",
"spacegroup": 15
},
{
"id": "mp-694890",
"created_at": "2022-09-04T14:47:22.695711Z",
"structure_string": "Na1 Ca1 Fe2 Si4 O12\n1.0\n5.200451 0.172451 1.272259\n1.092412 6.571471 0.596311\n-0.180603 0.034368 6.684493\nNa Ca Fe Si O\n1 1 2 4 12\ndirect\n0.250004 0.699717 0.300280 Na\n0.749925 0.300311 0.699708 Ca\n0.750047 0.897809 0.102154 Fe\n0.249989 0.092912 0.907038 Fe\n0.269398 0.197942 0.377593 Si\n0.230612 0.622396 0.802073 Si\n0.762106 0.380956 0.197469 Si\n0.737896 0.802509 0.619059 Si\n0.002938 0.631391 0.661588 O\n0.497069 0.338397 0.368614 O\n0.179837 0.116276 0.609273 O\n0.320211 0.390779 0.883736 O\n0.370707 0.029653 0.200532 O\n0.129247 0.799418 0.970391 O\n0.504613 0.666966 0.641110 O\n0.995375 0.358869 0.333067 O\n0.689492 0.613982 0.108432 O\n0.810497 0.891589 0.386015 O\n0.840715 0.200898 0.032761 O\n0.659322 0.967231 0.799105 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Na-O-Si",
"density": 3.4799029262781627,
"density_atomic": 0.08748399204737967,
"volume": 228.6132529156692,
"volume_molar": 6.883705943298201,
"formula_full": "Na1 Ca1 Fe2 Si4 O12",
"formula_reduced": "NaCaFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy": -158.7312169,
"energy_per_atom": -7.936560845,
"energy_above_hull": null,
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"energy_uncorrected": -145.9752169,
"band_gap": 1.072,
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"is_magnetic": true,
"total_magnetization": 0.997392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.543000Z",
"spacegroup": 5
},
{
"id": "mp-1233420",
"created_at": "2022-09-04T14:47:22.701820Z",
"structure_string": "Ca1 Mn6 O4 F8\n1.0\n-5.393708 -0.426355 -0.165891\n0.235142 4.373279 -6.252990\n-0.569108 -5.126837 -3.690004\nCa Mn O F\n1 6 4 8\ndirect\n0.746660 0.552847 0.302487 Ca\n0.559629 0.996853 0.537777 Mn\n0.393668 0.730157 0.027139 Mn\n0.478166 0.324245 0.815401 Mn\n0.955733 0.690096 0.715448 Mn\n0.252244 0.265334 0.295441 Mn\n0.884801 0.006441 0.040302 Mn\n0.774079 0.749804 0.022432 O\n0.715933 0.785673 0.533641 O\n0.548539 0.379985 0.087555 O\n0.408229 0.225092 0.552971 O\n0.797573 0.441842 0.642674 F\n0.889737 0.123286 0.344685 F\n0.679453 0.086660 0.809818 F\n0.267280 0.552932 0.803755 F\n0.403213 0.957371 0.264444 F\n0.171278 0.577066 0.295810 F\n0.144398 0.219298 0.983565 F\n0.234939 0.893348 0.799655 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"O",
"F"
],
"chemical_system": "Ca-F-Mn-O",
"density": 3.771783628477997,
"density_atomic": 0.07368560492100885,
"volume": 257.8522632794838,
"volume_molar": 8.172750656598057,
"formula_full": "Ca1 Mn6 O4 F8",
"formula_reduced": "CaMn6(OF2)4",
"formula_anonymous": "AB4C6D8",
"energy": -141.70033194,
"energy_per_atom": -7.457912207368421,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -125.24833194,
"band_gap": 0.6161000000000001,
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"updated_at": "2021-11-28T01:38:08.956000Z",
"spacegroup": 1
},
{
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