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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10152",
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"results": [
{
"id": "mp-1234737",
"created_at": "2022-09-04T14:46:57.368908Z",
"structure_string": "Ba2 Mg1 Mo4 P8 O28\n1.0\n7.778332 0.016601 1.401496\n-0.092850 7.830074 1.475113\n0.070444 0.166355 10.393276\nBa Mg Mo P O\n2 1 4 8 28\ndirect\n0.005176 0.508060 0.052283 Ba\n0.488063 0.986461 0.541140 Ba\n0.826609 0.389074 0.755767 Mg\n0.992868 0.991275 0.487667 Mo\n0.023526 0.013029 0.002419 Mo\n0.466102 0.546932 0.248337 Mo\n0.466594 0.451370 0.769218 Mo\n0.819196 0.717621 0.315304 P\n0.272733 0.193814 0.194727 P\n0.164374 0.262083 0.663098 P\n0.775373 0.802290 0.806595 P\n0.725220 0.358004 0.461862 P\n0.638928 0.262625 0.057973 P\n0.246495 0.637165 0.532480 P\n0.387464 0.760990 0.946303 P\n0.959636 0.748600 0.192629 O\n0.212955 0.056442 0.319218 O\n0.017907 0.238611 0.785228 O\n0.803791 0.924308 0.668821 O\n0.634811 0.727081 0.289969 O\n0.270495 0.378209 0.219447 O\n0.344767 0.233461 0.692163 O\n0.817804 0.614079 0.801019 O\n0.832868 0.822593 0.421535 O\n0.175904 0.192296 0.080196 O\n0.141923 0.159478 0.558678 O\n0.857146 0.853291 0.913926 O\n0.851227 0.511271 0.377144 O\n0.476419 0.149293 0.146651 O\n0.415889 0.741950 0.088650 O\n0.277532 0.644966 0.384001 O\n0.621407 0.292820 0.908269 O\n0.703534 0.370442 0.610679 O\n0.333064 0.588165 0.916666 O\n0.408491 0.629656 0.596245 O\n0.643899 0.434129 0.105236 O\n0.129933 0.466820 0.604413 O\n0.258960 0.897508 0.907427 O\n0.145456 0.791571 0.570597 O\n0.802775 0.167421 0.079516 O\n0.812264 0.191048 0.435491 O\n0.564702 0.819994 0.840018 O\n0.552391 0.365374 0.413495 O\n",
"nsites": 43,
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"elements": [
"Ba",
"Mg",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mg-Mo-O-P",
"density": 3.6315762998619374,
"density_atomic": 0.06821976012249485,
"volume": 630.3159073381312,
"volume_molar": 8.827560737807774,
"formula_full": "Ba2 Mg1 Mo4 P8 O28",
"formula_reduced": "Ba2MgMo4(P2O7)4",
"formula_anonymous": "AB2C4D8E28",
"energy": -343.0239552,
"energy_per_atom": -7.97730128372093,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -310.9799552,
"band_gap": 2.1636999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.426000Z",
"spacegroup": 1
},
{
"id": "mp-1215704",
"created_at": "2022-09-04T14:46:59.159987Z",
"structure_string": "Zr3 Mn8 Al1\n1.0\n2.434457 -4.216604 0.000000\n2.434457 4.216604 0.000000\n0.000000 0.000000 8.120783\nZr Mn Al\n3 8 1\ndirect\n0.666667 0.333333 0.441664 Zr\n0.666667 0.333333 0.065310 Zr\n0.000000 0.000000 0.923419 Zr\n0.333333 0.666667 0.502538 Mn\n0.333333 0.666667 0.005050 Mn\n0.504381 0.008762 0.745221 Mn\n0.504381 0.495619 0.745221 Mn\n0.991238 0.495619 0.745221 Mn\n0.159974 0.319947 0.254218 Mn\n0.159974 0.840026 0.254218 Mn\n0.680053 0.840026 0.254218 Mn\n0.000000 0.000000 0.563719 Al\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Zr",
"density": 7.371920615578523,
"density_atomic": 0.07197611815188147,
"volume": 166.72196706521493,
"volume_molar": 8.36685961209007,
"formula_full": "Zr3 Mn8 Al1",
"formula_reduced": "Zr3Mn8Al",
"formula_anonymous": "AB3C8",
"energy": -105.13278463,
"energy_per_atom": -8.761065385833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.13278463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7064233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.240000Z",
"spacegroup": 156
},
{
"id": "mp-1225480",
"created_at": "2022-09-04T14:46:53.806504Z",
"structure_string": "K8 Ti4 C16 O45\n1.0\n-9.932963 0.000000 0.000000\n2.224169 11.061906 0.000000\n-0.657854 -4.389024 -10.811336\nK Ti C O\n8 4 16 45\ndirect\n0.732111 0.464276 0.225491 K\n0.269925 0.552975 0.782110 K\n0.001199 0.005989 0.008234 K\n0.084167 0.374963 0.055336 K\n0.920284 0.632796 0.951458 K\n0.323017 0.206932 0.247042 K\n0.687981 0.792036 0.747439 K\n0.976055 0.096749 0.615516 K\n0.335824 0.808107 0.535949 Ti\n0.665186 0.191365 0.463934 Ti\n0.456629 0.896983 0.279852 Ti\n0.544116 0.101527 0.720431 Ti\n0.251135 0.708720 0.101560 C\n0.750382 0.291946 0.899558 C\n0.140984 0.766159 0.720850 C\n0.853986 0.236521 0.277716 C\n0.674318 0.833550 0.088005 C\n0.327511 0.166801 0.912614 C\n0.214059 0.844964 0.132683 C\n0.788379 0.155820 0.868322 C\n0.266375 0.536082 0.351305 C\n0.734910 0.462898 0.652582 C\n0.419305 0.562500 0.396592 C\n0.580905 0.435957 0.606327 C\n0.084604 0.856156 0.669555 C\n0.916367 0.149915 0.329210 C\n0.692356 0.773621 0.187346 C\n0.305034 0.220286 0.809876 C\n0.110153 0.857564 0.089599 O\n0.896060 0.144458 0.906902 O\n0.614882 0.810994 0.282351 O\n0.388919 0.190635 0.718939 O\n0.087703 0.743387 0.810534 O\n0.905673 0.261317 0.188397 O\n0.356413 0.712949 0.162708 O\n0.644457 0.286866 0.838981 O\n0.770946 0.696415 0.169013 O\n0.214669 0.285191 0.820417 O\n0.209715 0.636127 0.403427 O\n0.792346 0.363741 0.598300 O\n0.491907 0.480018 0.347795 O\n0.508720 0.518748 0.655093 O\n0.225231 0.182993 0.500774 O\n0.759446 0.889923 0.521455 O\n0.566575 0.884685 0.106857 O\n0.435744 0.116329 0.894069 O\n0.976780 0.896816 0.708470 O\n0.024208 0.111862 0.289755 O\n0.758247 0.825721 0.003411 O\n0.245475 0.177456 0.998898 O\n0.456797 0.675284 0.484824 O\n0.542674 0.323115 0.518790 O\n0.454706 0.930114 0.655195 O\n0.544410 0.070622 0.347789 O\n0.304165 0.940134 0.207301 O\n0.699625 0.059749 0.793227 O\n0.010704 0.582070 0.288920 O\n0.016238 0.367748 0.680325 O\n0.374142 0.873471 0.413006 O\n0.632135 0.124508 0.588415 O\n0.182199 0.609299 0.022688 O\n0.822481 0.391641 0.975042 O\n0.544326 0.170189 0.082067 O\n0.463056 0.827852 0.915640 O\n0.162151 0.884317 0.586635 O\n0.842678 0.125181 0.416789 O\n0.215244 0.428215 0.273384 O\n0.783178 0.569759 0.732988 O\n0.246036 0.723062 0.661131 O\n0.748008 0.276950 0.337895 O\n0.215274 0.298764 0.537938 O\n0.487569 0.473794 0.037642 O\n0.509533 0.524572 0.960232 O\n",
"nsites": 73,
"nelements": 4,
"elements": [
"K",
"Ti",
"C",
"O"
],
"chemical_system": "C-K-O-Ti",
"density": 1.9799145176169408,
"density_atomic": 0.06145181492726221,
"volume": 1187.9226038548554,
"volume_molar": 9.799776893698162,
"formula_full": "K8 Ti4 C16 O45",
"formula_reduced": "K8Ti4C16O45",
"formula_anonymous": "A4B8C16D45",
"energy": -514.13715341,
"energy_per_atom": -7.042974704246575,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -506.89215341,
"band_gap": 0.3584,
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"is_magnetic": true,
"total_magnetization": 14.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.839000Z",
"spacegroup": 1
},
{
"id": "mp-10860",
"created_at": "2022-09-04T14:46:53.823579Z",
"structure_string": "Ce1 Ni2 B2 C1\n1.0\n-1.815308 1.815308 5.093027\n1.815308 -1.815308 5.093027\n1.815308 1.815308 -5.093027\nCe Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.353031 0.353031 0.000000 B\n0.646969 0.646969 0.000000 B\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Ce-Ni",
"density": 7.2012460397272235,
"density_atomic": 0.08937470829964035,
"volume": 67.13308624050798,
"volume_molar": 6.738081583225971,
"formula_full": "Ce1 Ni2 B2 C1",
"formula_reduced": "CeNi2B2C",
"formula_anonymous": "ABC2D2",
"energy": -42.97030742,
"energy_per_atom": -7.161717903333333,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -42.97030742,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.1608578,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.367000Z",
"spacegroup": 139
},
{
"id": "mp-26684",
"created_at": "2022-09-04T14:46:53.803120Z",
"structure_string": "Li6 Cr4 P10 O36\n1.0\n6.467339 0.000000 0.000000\n-0.245237 9.443105 0.000000\n-0.484926 -1.107346 10.443772\nLi Cr P O\n6 4 10 36\ndirect\n0.005940 0.058425 0.868394 Li\n0.994060 0.941575 0.131606 Li\n0.867857 0.780537 0.335855 Li\n0.454270 0.725730 0.399051 Li\n0.545730 0.274270 0.600949 Li\n0.132143 0.219463 0.664145 Li\n0.324256 0.777119 0.950746 Cr\n0.767553 0.640481 0.593638 Cr\n0.232447 0.359519 0.406362 Cr\n0.675744 0.222881 0.049254 Cr\n0.272624 0.591414 0.645306 P\n0.181695 0.580175 0.173888 P\n0.830026 0.727650 0.897305 P\n0.766327 0.975728 0.600707 P\n0.478642 0.045178 0.799462 P\n0.233673 0.024272 0.399293 P\n0.169974 0.272350 0.102695 P\n0.818305 0.419825 0.826112 P\n0.727376 0.408586 0.354694 P\n0.521358 0.954822 0.200538 P\n0.368684 0.237838 0.037773 O\n0.575482 0.943413 0.687070 O\n0.336037 0.921506 0.102244 O\n0.037784 0.978000 0.317004 O\n0.962216 0.022000 0.682996 O\n0.663963 0.078494 0.897756 O\n0.424518 0.056587 0.312930 O\n0.689662 0.049934 0.150077 O\n0.712808 0.102399 0.528358 O\n0.396333 0.173065 0.741617 O\n0.218857 0.168668 0.482012 O\n0.986623 0.180351 0.037619 O\n0.189198 0.251378 0.244811 O\n0.996029 0.321769 0.803175 O\n0.900998 0.568781 0.905617 O\n0.667297 0.364632 0.919306 O\n0.930669 0.360058 0.419286 O\n0.538543 0.345228 0.420476 O\n0.271885 0.427363 0.601084 O\n0.287192 0.897601 0.471642 O\n0.719937 0.459994 0.696737 O\n0.099002 0.431219 0.094383 O\n0.310338 0.950066 0.849923 O\n0.280063 0.540006 0.303263 O\n0.289787 0.632824 0.789906 O\n0.728115 0.572637 0.398916 O\n0.461457 0.654772 0.579524 O\n0.069331 0.639942 0.580714 O\n0.332703 0.635368 0.080694 O\n0.631316 0.762162 0.962227 O\n0.003971 0.678231 0.196825 O\n0.810802 0.748622 0.755189 O\n0.013377 0.819649 0.962381 O\n0.781143 0.831332 0.517988 O\n0.603667 0.826935 0.258383 O\n0.710213 0.367176 0.210094 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.955831448274489,
"density_atomic": 0.0877991274969383,
"volume": 637.8195501083176,
"volume_molar": 6.8589984111288596,
"formula_full": "Li6 Cr4 P10 O36",
"formula_reduced": "Li3Cr2P5O18",
"formula_anonymous": "A2B3C5D18",
"energy": -421.92070283,
"energy_per_atom": -7.5342982648214285,
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"updated_at": "2021-11-28T01:37:41.248000Z",
"spacegroup": 2
},
{
"id": "mp-849461",
"created_at": "2022-09-04T14:46:57.375347Z",
"structure_string": "Na12 Mn4 O12\n1.0\n6.000462 -0.000035 0.059019\n-0.000073 12.476963 -0.000037\n-2.593239 0.000000 5.310079\nNa Mn O\n12 4 12\ndirect\n0.139197 0.221364 0.700782 Na\n0.245985 0.483652 0.779458 Na\n0.254016 0.983650 0.720540 Na\n0.360808 0.721365 0.799222 Na\n0.289328 0.599468 0.351349 Na\n0.210672 0.099464 0.148656 Na\n0.789331 0.900539 0.851346 Na\n0.710669 0.400537 0.648650 Na\n0.639195 0.278644 0.200780 Na\n0.745984 0.016356 0.279459 Na\n0.754020 0.516355 0.220541 Na\n0.860808 0.778644 0.299218 Na\n0.172022 0.340703 0.262599 Mn\n0.327973 0.840713 0.237398 Mn\n0.672017 0.159261 0.762604 Mn\n0.827976 0.659268 0.737401 Mn\n0.994815 0.369420 0.452092 O\n0.114170 0.934090 0.306404 O\n0.068745 0.731550 0.024096 O\n0.494803 0.130586 0.952108 O\n0.431261 0.231546 0.475908 O\n0.614152 0.565910 0.806408 O\n0.385827 0.434087 0.193599 O\n0.568748 0.768458 0.524099 O\n0.505188 0.869422 0.047903 O\n0.931247 0.268452 0.975890 O\n0.885845 0.065912 0.693593 O\n0.005197 0.630585 0.547898 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.8584022110825926,
"density_atomic": 0.07009424727578978,
"volume": 399.46216826942185,
"volume_molar": 8.591490734333085,
"formula_full": "Na12 Mn4 O12",
"formula_reduced": "Na3MnO3",
"formula_anonymous": "AB3C3",
"energy": -160.49668107,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:49.614000Z",
"spacegroup": 14
},
{
"id": "mp-1228034",
"created_at": "2022-09-04T14:46:59.164349Z",
"structure_string": "Ce2 Fe2 Ni16 Ge8\n1.0\n-8.042159 0.025751 0.000000\n-0.025751 8.042159 0.000000\n-4.033955 4.033955 -5.952825\nCe Fe Ni Ge\n2 2 16 8\ndirect\n0.251902 0.251902 0.496196 Ce\n0.751902 0.751902 0.496196 Ce\n0.700184 0.441702 0.358114 Fe\n0.941702 0.200184 0.358114 Fe\n0.432891 0.703424 0.999692 Ni\n0.567417 0.296884 0.999692 Ni\n0.065262 0.203392 0.001834 Ni\n0.932903 0.794773 0.001834 Ni\n0.294773 0.432903 0.001834 Ni\n0.703392 0.565262 0.001834 Ni\n0.796884 0.067417 0.999692 Ni\n0.203424 0.932891 0.999692 Ni\n0.000591 0.500591 0.998819 Ni\n0.499712 0.999712 0.000576 Ni\n0.440847 0.940847 0.363638 Ni\n0.195515 0.695515 0.363638 Ni\n0.305592 0.556714 0.637695 Ni\n0.056714 0.805592 0.637695 Ni\n0.557739 0.057739 0.639387 Ni\n0.802874 0.302874 0.639387 Ni\n0.552392 0.703629 0.243978 Ge\n0.203629 0.052392 0.243978 Ge\n0.699468 0.199468 0.246717 Ge\n0.053816 0.553816 0.246717 Ge\n0.446139 0.296351 0.757510 Ge\n0.796351 0.946139 0.757510 Ge\n0.298173 0.798173 0.754014 Ge\n0.947813 0.447813 0.754014 Ge\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ce",
"Fe",
"Ni",
"Ge"
],
"chemical_system": "Ce-Fe-Ge-Ni",
"density": 8.247151892991697,
"density_atomic": 0.07272672955779065,
"volume": 385.00287542492106,
"volume_molar": 8.28050538862007,
"formula_full": "Ce2 Fe2 Ni16 Ge8",
"formula_reduced": "CeFe(Ni2Ge)4",
"formula_anonymous": "ABC4D8",
"energy": -168.37013567,
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"energy_uncorrected": -168.37013567,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:50.075000Z",
"spacegroup": 42
},
{
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