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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=52",
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"results": [
{
"id": "mp-1175243",
"created_at": "2022-09-04T14:42:01.680699Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.968660 0.000000 0.000000\n0.121008 5.084836 0.000000\n0.852794 0.509448 14.434635\nLi Mn Co O\n7 4 1 12\ndirect\n0.001287 0.338665 0.167461 Li\n0.500911 0.167726 0.333646 Li\n0.998264 0.995170 0.499672 Li\n0.502638 0.839145 0.671809 Li\n0.000050 0.666023 0.832951 Li\n0.496738 0.494287 0.994668 Li\n0.500552 0.167271 0.832450 Li\n0.995744 0.009671 0.993219 Mn\n0.003898 0.325861 0.671247 Mn\n0.491811 0.830132 0.165202 Mn\n0.000901 0.664927 0.335939 Mn\n0.512129 0.501745 0.502673 Co\n0.475939 0.138680 0.075974 O\n0.029946 0.982180 0.251468 O\n0.531766 0.815536 0.420098 O\n0.038431 0.640982 0.581010 O\n0.482394 0.479411 0.738587 O\n0.007244 0.314236 0.923581 O\n0.464509 0.511604 0.249612 O\n0.971258 0.351597 0.419392 O\n0.523580 0.200228 0.589159 O\n0.992514 0.019628 0.740592 O\n0.517575 0.855844 0.926400 O\n0.959918 0.689451 0.083192 O\n",
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"O"
],
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"volume": 217.8929695464631,
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"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.38801452,
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},
{
"id": "mp-753343",
"created_at": "2022-09-04T14:42:01.682526Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000437 4.855271 0.000193\n2.428079 2.428009 3.861672\n14.565027 0.000994 -7.721811\nLi V Si O\n4 4 4 16\ndirect\n0.874986 0.249995 0.624957 Li\n0.625023 0.749973 0.874996 Li\n0.375090 0.249944 0.125096 Li\n0.125069 0.749978 0.375002 Li\n0.250022 0.500061 0.750010 V\n0.000117 0.999909 0.999966 V\n0.749992 0.499999 0.249941 V\n0.499957 0.999985 0.500067 V\n0.562437 0.874994 0.687481 Si\n0.312465 0.375043 0.937491 Si\n0.062474 0.875052 0.187626 Si\n0.812575 0.374931 0.437391 Si\n0.651388 0.282172 0.514118 O\n0.401517 0.782103 0.764249 O\n0.151472 0.282238 0.014257 O\n0.901245 0.782418 0.264359 O\n0.338019 0.955940 0.604852 O\n0.088064 0.456095 0.854845 O\n0.838328 0.956323 0.104926 O\n0.588167 0.455954 0.354775 O\n0.908249 0.598523 0.672218 O\n0.658198 0.098299 0.922328 O\n0.408093 0.598176 0.172454 O\n0.158456 0.098359 0.422301 O\n0.601898 0.163524 0.708513 O\n0.352101 0.663479 0.958522 O\n0.102515 0.163127 0.208816 O\n0.852082 0.663406 0.458440 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.7357450631491687,
"density_atomic": 0.07690116467787922,
"volume": 364.10371828938315,
"volume_molar": 7.831013724207329,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy": -221.99015892,
"energy_per_atom": -7.928219961428572,
"energy_above_hull": null,
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"energy_uncorrected": -204.19815892,
"band_gap": 2.3507,
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"is_magnetic": true,
"total_magnetization": 2.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.246000Z",
"spacegroup": 82
},
{
"id": "mp-1206883",
"created_at": "2022-09-04T14:42:00.519198Z",
"structure_string": "K2 Co1 F6\n1.0\n0.000000 4.182197 4.182197\n4.182197 0.000000 4.182197\n4.182197 4.182197 0.000000\nK Co F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Co\n0.776698 0.223302 0.223302 F\n0.223302 0.776698 0.776698 F\n0.223302 0.776698 0.223302 F\n0.776698 0.223302 0.776698 F\n0.223302 0.223302 0.776698 F\n0.776698 0.776698 0.223302 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Co",
"F"
],
"chemical_system": "Co-F-K",
"density": 2.850278628495738,
"density_atomic": 0.061517553455310715,
"volume": 146.29970625437875,
"volume_molar": 9.789304713450235,
"formula_full": "K2 Co1 F6",
"formula_reduced": "K2CoF6",
"formula_anonymous": "AB2C6",
"energy": -43.08543768,
"energy_per_atom": -4.787270853333333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -38.67543768,
"band_gap": 1.1713,
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"total_magnetization": 5.0054788,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.691000Z",
"spacegroup": 225
},
{
"id": "mp-1182164",
"created_at": "2022-09-04T14:42:02.837482Z",
"structure_string": "Ba2 O12\n1.0\n5.004612 3.855470 0.000000\n-5.004612 3.855470 0.000000\n0.000000 0.205231 6.523967\nBa O\n2 12\ndirect\n0.182445 0.817555 0.750000 Ba\n0.817555 0.182445 0.250000 Ba\n0.926847 0.770125 0.133644 O\n0.229875 0.073153 0.366356 O\n0.073153 0.229875 0.866356 O\n0.770125 0.926847 0.633644 O\n0.786863 0.598262 0.070397 O\n0.401738 0.213137 0.429603 O\n0.213137 0.401738 0.929603 O\n0.598262 0.786863 0.570397 O\n0.905140 0.475418 0.554978 O\n0.524582 0.094860 0.945022 O\n0.094860 0.524582 0.445022 O\n0.475418 0.905140 0.054978 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ba",
"O"
],
"chemical_system": "Ba-O",
"density": 3.0778531651697794,
"density_atomic": 0.05560816233591887,
"volume": 251.76160138917245,
"volume_molar": 10.829598582347199,
"formula_full": "Ba2 O12",
"formula_reduced": "BaO6",
"formula_anonymous": "AB6",
"energy": -75.46572715,
"energy_per_atom": -5.390409082142858,
"energy_above_hull": null,
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"energy_uncorrected": -73.53372715,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.7211739,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.494000Z",
"spacegroup": 15
},
{
"id": "mp-1227720",
"created_at": "2022-09-04T14:42:02.435321Z",
"structure_string": "Ca2 Ho1 Mn4 Bi1 O12\n1.0\n-0.010967 0.000000 6.248438\n5.734491 0.000000 0.006420\n0.000000 7.321418 0.000000\nCa Ho Mn Bi O\n2 1 4 1 12\ndirect\n0.040282 0.946311 0.250000 Ca\n0.574169 0.571714 0.750000 Ca\n0.939350 0.026040 0.750000 Ho\n0.008780 0.479254 0.990998 Mn\n0.467012 0.031483 0.501425 Mn\n0.008780 0.479254 0.509002 Mn\n0.467012 0.031483 0.998575 Mn\n0.447449 0.473665 0.250000 Bi\n0.395382 0.078582 0.250000 O\n0.095033 0.495135 0.250000 O\n0.567207 0.994279 0.750000 O\n0.905543 0.419029 0.750000 O\n0.369647 0.705559 0.014924 O\n0.155495 0.183006 0.532031 O\n0.638760 0.318538 0.470636 O\n0.878097 0.779782 0.988739 O\n0.638760 0.318538 0.029364 O\n0.878097 0.779782 0.511261 O\n0.369647 0.705559 0.485076 O\n0.155495 0.183006 0.967969 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Ho",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Ho-Mn-O",
"density": 5.480373420586688,
"density_atomic": 0.07623731619136367,
"volume": 262.33872070991976,
"volume_molar": 7.899203514567319,
"formula_full": "Ca2 Ho1 Mn4 Bi1 O12",
"formula_reduced": "Ca2HoMn4BiO12",
"formula_anonymous": "ABC2D4E12",
"energy": -155.13926566,
"energy_per_atom": -7.756963283,
"energy_above_hull": null,
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"energy_uncorrected": -140.22326566,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.367000Z",
"spacegroup": 6
},
{
"id": "mp-1329388",
"created_at": "2022-09-04T14:42:02.463446Z",
"structure_string": "Mg8 Ag16 O32\n1.0\n3.257168 5.361896 0.000000\n-3.257168 5.361896 0.000000\n0.000000 3.292405 20.738643\nMg Ag O\n8 16 32\ndirect\n0.858263 0.858263 0.969950 Mg\n0.376497 0.376497 0.875393 Mg\n0.607631 0.607631 0.719655 Mg\n0.126363 0.126363 0.625078 Mg\n0.875283 0.875283 0.375133 Mg\n0.000311 0.000311 0.499034 Mg\n0.626079 0.626079 0.124845 Mg\n0.749408 0.749408 0.250733 Mg\n0.377115 0.872332 0.875383 Ag\n0.252369 0.252369 0.748425 Ag\n0.872332 0.377115 0.875383 Ag\n0.357370 0.357370 0.466438 Ag\n0.124194 0.630534 0.623593 Ag\n0.898151 0.898151 0.781212 Ag\n0.108184 0.108184 0.218005 Ag\n0.630534 0.124194 0.623593 Ag\n0.874752 0.374831 0.375282 Ag\n0.642986 0.642986 0.531853 Ag\n0.374831 0.874752 0.375282 Ag\n0.117047 0.627865 0.126384 Ag\n0.627865 0.117047 0.126384 Ag\n0.392443 0.392443 0.283501 Ag\n0.499772 0.499772 0.000184 Ag\n0.148326 0.148326 0.032220 Ag\n0.669878 0.215393 0.933956 O\n0.558806 0.558806 0.819392 O\n0.215393 0.669878 0.933956 O\n0.690098 0.690098 0.937366 O\n0.074067 0.074067 0.812990 O\n0.425917 0.968343 0.684099 O\n0.514959 0.082522 0.815189 O\n0.313237 0.313237 0.574419 O\n0.968343 0.425917 0.684099 O\n0.187358 0.187358 0.925725 O\n0.437490 0.437490 0.685506 O\n0.082522 0.514959 0.815189 O\n0.163402 0.738773 0.433205 O\n0.822180 0.822180 0.563856 O\n0.264387 0.836704 0.566587 O\n0.061732 0.061732 0.322587 O\n0.738773 0.163402 0.433205 O\n0.939002 0.939002 0.675291 O\n0.174659 0.174659 0.433380 O\n0.836704 0.264387 0.566587 O\n0.574727 0.574727 0.317183 O\n0.910374 0.488498 0.182922 O\n0.011757 0.585273 0.317360 O\n0.806897 0.806897 0.067067 O\n0.488498 0.910374 0.182922 O\n0.687713 0.687713 0.427773 O\n0.924806 0.924806 0.185806 O\n0.585273 0.011757 0.317360 O\n0.322320 0.322320 0.068682 O\n0.764293 0.328698 0.067372 O\n0.437570 0.437570 0.178659 O\n0.328698 0.764293 0.067372 O\n",
"nsites": 56,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 5.5757013423350825,
"density_atomic": 0.07730705873788093,
"volume": 724.384046091766,
"volume_molar": 7.78989766046954,
"formula_full": "Mg8 Ag16 O32",
"formula_reduced": "Mg(AgO2)2",
"formula_anonymous": "AB2C4",
"energy": -273.98130222,
"energy_per_atom": -4.892523253928571,
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"updated_at": "2021-11-28T01:35:31.542000Z",
"spacegroup": 8
},
{
"id": "mp-1103811",
"created_at": "2022-09-04T14:42:00.577912Z",
"structure_string": "K2 V4 Fe2 Ag4 O16\n1.0\n-5.537296 -0.001502 -0.000345\n-0.000926 -0.001204 -14.946627\n-2.769935 -4.795344 -0.000469\nK V Fe Ag O\n2 4 2 4 16\ndirect\n0.000285 0.000034 0.999644 K\n0.999684 0.499965 0.000327 K\n0.666487 0.866498 0.666873 V\n0.333393 0.633524 0.333146 V\n0.666801 0.366462 0.666738 V\n0.333387 0.133492 0.333231 V\n0.000057 0.249962 0.999986 Fe\n0.999946 0.750030 0.999997 Fe\n0.666917 0.135939 0.666348 Ag\n0.666915 0.635947 0.666387 Ag\n0.333076 0.364093 0.333690 Ag\n0.332958 0.864058 0.333618 Ag\n0.667035 0.479327 0.666721 O\n0.666685 0.979388 0.666898 O\n0.333102 0.020587 0.333253 O\n0.333205 0.520649 0.333127 O\n0.922329 0.329834 0.328702 O\n0.922024 0.829855 0.328873 O\n0.328929 0.329923 0.748924 O\n0.328732 0.829994 0.748961 O\n0.748901 0.329741 0.922275 O\n0.748609 0.829736 0.922249 O\n0.077666 0.170145 0.671454 O\n0.077845 0.670192 0.671146 O\n0.671391 0.170020 0.250989 O\n0.671169 0.670056 0.251063 O\n0.251194 0.170240 0.077642 O\n0.251281 0.670307 0.077740 O\n",
"nsites": 28,
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"elements": [
"K",
"V",
"Fe",
"Ag",
"O"
],
"chemical_system": "Ag-Fe-K-O-V",
"density": 4.524063208121492,
"density_atomic": 0.07056110666073681,
"volume": 396.8191731264383,
"volume_molar": 8.534646131550787,
"formula_full": "K2 V4 Fe2 Ag4 O16",
"formula_reduced": "KV2Fe(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -197.47012825,
"energy_per_atom": -7.052504580357143,
"energy_above_hull": null,
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"total_magnetization": 4.87e-05,
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"updated_at": "2021-11-28T01:35:36.672000Z",
"spacegroup": 147
},
{
"id": "mp-21436",
"created_at": "2022-09-04T14:41:59.650061Z",
"structure_string": "Gd2 Cu2 Sn2\n1.0\n2.282937 -3.954163 0.000000\n2.282937 3.954163 0.000000\n0.000000 0.000000 7.326796\nGd Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.499683 Gd\n0.000000 0.000000 0.999683 Gd\n0.666667 0.333333 0.312537 Cu\n0.333333 0.666667 0.812537 Cu\n0.333333 0.666667 0.230980 Sn\n0.666667 0.333333 0.730980 Sn\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.523813853102165,
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"volume": 132.27951385632923,
"volume_molar": 13.276764201786417,
"formula_full": "Gd2 Cu2 Sn2",
"formula_reduced": "GdCuSn",
"formula_anonymous": "ABC",
"energy": -47.94933791,
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"spacegroup": 186
},
{
"id": "mp-1272719",
"created_at": "2022-09-04T14:42:00.018772Z",
"structure_string": "Sr8 Ta4 Mn4 O24\n1.0\n7.874183 0.000142 0.000048\n0.000048 0.000136 7.874114\n3.936990 -8.383177 3.936963\nSr Ta Mn O\n8 4 4 24\ndirect\n0.125027 0.124959 0.249992 Sr\n0.874905 0.374983 0.750008 Sr\n0.375083 0.875021 0.750008 Sr\n0.624957 0.625106 0.249985 Sr\n0.375073 0.375019 0.749996 Sr\n0.125049 0.625087 0.249997 Sr\n0.624965 0.124946 0.249979 Sr\n0.874890 0.875027 0.750020 Sr\n0.499915 0.499862 0.000252 Ta\n0.249714 0.749552 0.500675 Ta\n0.750416 0.250299 0.499285 Ta\n0.000059 0.000052 0.999791 Ta\n0.249958 0.249792 0.500209 Mn\n0.000084 0.500016 0.999892 Mn\n0.499968 0.000042 0.999944 Mn\n0.750024 0.749977 0.499989 Mn\n0.249550 0.496323 0.500919 O\n0.000162 0.747065 0.999677 O\n0.499870 0.246680 0.000238 O\n0.750395 0.997193 0.499185 O\n0.118436 0.118448 0.763102 O\n0.868622 0.368677 0.262657 O\n0.367947 0.868009 0.264023 O\n0.618172 0.618221 0.763576 O\n0.003621 0.250412 0.499111 O\n0.752944 0.499876 0.000323 O\n0.253327 0.000188 0.999733 O\n0.502817 0.749604 0.500826 O\n0.249550 0.002608 0.500902 O\n0.000161 0.253258 0.999665 O\n0.499875 0.753165 0.000221 O\n0.750387 0.503561 0.499179 O\n0.381544 0.381591 0.236897 O\n0.131325 0.631384 0.737337 O\n0.632003 0.132064 0.735978 O\n0.881813 0.881833 0.236416 O\n0.497312 0.250414 0.499125 O\n0.246742 0.499876 0.000332 O\n0.746887 0.000187 0.999737 O\n0.996450 0.749621 0.500817 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 6.4803547412919915,
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"volume": 519.7841573960703,
"volume_molar": 7.825533401642826,
"formula_full": "Sr8 Ta4 Mn4 O24",
"formula_reduced": "Sr2TaMnO6",
"formula_anonymous": "ABC2D6",
"energy": -340.4979898,
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