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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12154",
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"results": [
{
"id": "mp-758493",
"created_at": "2022-09-04T14:39:29.662759Z",
"structure_string": "Li2 Fe2 Si8 O19\n1.0\n0.013917 4.946942 0.005807\n-6.756593 2.454506 0.088181\n-3.755758 0.003369 11.927894\nLi Fe Si O\n2 2 8 19\ndirect\n0.757966 0.803641 0.637058 Li\n0.564294 0.198736 0.363917 Li\n0.684502 0.600034 0.404343 Fe\n0.297983 0.405506 0.593378 Fe\n0.466596 0.758339 0.926731 Si\n0.866058 0.980751 0.168962 Si\n0.081142 0.864861 0.418649 Si\n0.328515 0.438905 0.829649 Si\n0.767042 0.558501 0.168888 Si\n0.951973 0.135527 0.580393 Si\n0.849635 0.019346 0.829701 Si\n0.225450 0.240555 0.072619 Si\n0.172562 0.967998 0.888572 O\n0.740829 0.834228 0.900091 O\n0.873185 0.998812 0.296570 O\n0.405722 0.866008 0.415169 O\n0.452643 0.612446 0.850584 O\n0.048435 0.636857 0.457542 O\n0.121939 0.528514 0.711815 O\n0.863642 0.755463 0.172612 O\n0.154905 0.365667 0.938082 O\n0.520603 0.632101 0.061112 O\n0.622009 0.244766 0.825581 O\n0.655497 0.466104 0.288112 O\n0.694139 0.362965 0.542141 O\n0.063647 0.384306 0.148793 O\n0.275618 0.136355 0.583158 O\n0.875372 0.000071 0.702349 O\n0.892079 0.000306 0.499706 O\n0.573278 0.168063 0.099701 O\n0.139810 0.029877 0.109268 O\n",
"nsites": 31,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.73303684308804,
"density_atomic": 0.07798623173778277,
"volume": 397.50606368868984,
"volume_molar": 7.722056349957467,
"formula_full": "Li2 Fe2 Si8 O19",
"formula_reduced": "Li2Fe2Si8O19",
"formula_anonymous": "A2B2C8D19",
"energy": -248.40912191,
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"band_gap": 3.2863,
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"updated_at": "2021-11-28T01:34:26.046000Z",
"spacegroup": 1
},
{
"id": "mp-1219400",
"created_at": "2022-09-04T14:39:29.770293Z",
"structure_string": "Sm4 Fe31 Co3\n1.0\n4.256620 2.463824 4.168237\n-4.239188 2.438926 4.165136\n-0.025678 -9.806933 8.334176\nSm Fe Co\n4 31 3\ndirect\n0.658150 0.656544 0.329248 Sm\n0.659662 0.657889 0.828899 Sm\n0.340699 0.341378 0.170986 Sm\n0.341249 0.342113 0.670492 Sm\n0.291352 0.708446 0.000549 Fe\n0.294639 0.705778 0.500192 Fe\n0.709370 0.999682 0.145331 Fe\n0.708598 0.999856 0.645078 Fe\n0.999238 0.293060 0.353626 Fe\n0.999878 0.294723 0.853054 Fe\n0.289702 0.000415 0.354610 Fe\n0.291605 0.001164 0.854060 Fe\n0.000170 0.706459 0.147377 Fe\n0.000137 0.705864 0.647089 Fe\n0.707239 0.293323 0.499598 Fe\n0.708924 0.290495 0.999602 Fe\n0.998381 0.000214 0.250336 Fe\n0.999162 0.000915 0.750085 Fe\n0.999450 0.499892 0.000410 Fe\n0.000286 0.499565 0.500186 Fe\n0.500549 0.000194 0.499270 Fe\n0.500869 0.999743 0.999636 Fe\n0.904151 0.903247 0.452085 Fe\n0.904198 0.903606 0.951863 Fe\n0.096821 0.096056 0.048061 Fe\n0.096601 0.095563 0.548274 Fe\n0.341946 0.343087 0.922513 Fe\n0.342453 0.845535 0.171403 Fe\n0.341785 0.845578 0.671287 Fe\n0.158527 0.657446 0.329296 Fe\n0.156489 0.658444 0.829229 Fe\n0.657586 0.656249 0.079149 Fe\n0.658611 0.657375 0.579046 Fe\n0.656446 0.160229 0.328330 Fe\n0.657527 0.158339 0.827903 Fe\n0.844041 0.340773 0.170055 Co\n0.844306 0.340122 0.669653 Co\n0.339203 0.340640 0.422141 Co\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Sm",
"density": 8.002321378228759,
"density_atomic": 0.07297508490335781,
"volume": 520.7256702794394,
"volume_molar": 8.252324430968772,
"formula_full": "Sm4 Fe31 Co3",
"formula_reduced": "Sm4Fe31Co3",
"formula_anonymous": "A3B4C31",
"energy": -302.68841588,
"energy_per_atom": -7.965484628421052,
"energy_above_hull": null,
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"energy_uncorrected": -302.68841588,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.627000Z",
"spacegroup": 1
},
{
"id": "mp-1174730",
"created_at": "2022-09-04T14:39:29.816028Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.987659 0.000000 0.000000\n1.011820 7.710282 0.000000\n1.372682 1.784880 10.971726\nLi Mn Co O\n8 2 4 14\ndirect\n0.777404 0.361892 0.063396 Li\n0.921648 0.785255 0.358083 Li\n0.067007 0.214549 0.652518 Li\n0.242035 0.637844 0.923130 Li\n0.364580 0.070773 0.215503 Li\n0.497991 0.499993 0.503687 Li\n0.627517 0.941130 0.783628 Li\n0.454148 0.277479 0.850660 Li\n0.991109 0.008874 0.995551 Mn\n0.151909 0.428128 0.283560 Mn\n0.276426 0.852869 0.574383 Co\n0.550887 0.718358 0.143239 Co\n0.721237 0.139206 0.433300 Co\n0.867275 0.561560 0.719469 Co\n0.421457 0.157207 0.030904 O\n0.510566 0.608216 0.311335 O\n0.623845 0.031165 0.600692 O\n0.823213 0.484084 0.876161 O\n0.928209 0.886090 0.169994 O\n0.133112 0.315539 0.454695 O\n0.240853 0.743856 0.739161 O\n0.197144 0.543940 0.110388 O\n0.294798 0.962791 0.407824 O\n0.497977 0.408957 0.680421 O\n0.561506 0.840456 0.976787 O\n0.793794 0.246957 0.257087 O\n0.923245 0.676875 0.551193 O\n0.039108 0.095957 0.833252 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1071648324976575,
"density_atomic": 0.1107852107779328,
"volume": 252.74131631274824,
"volume_molar": 5.435870652510907,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.06376198,
"energy_per_atom": -6.502277213571429,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -162.55776198,
"band_gap": 0.4512,
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"is_magnetic": true,
"total_magnetization": 20.0011744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.915000Z",
"spacegroup": 1
},
{
"id": "mp-1228018",
"created_at": "2022-09-04T14:39:29.802567Z",
"structure_string": "Ba3 V2 Ni6 As4 O24\n1.0\n5.044640 0.000031 0.000110\n-2.522140 1.456148 7.876860\n2.522238 -13.106165 0.000186\nBa V Ni As O\n3 2 6 4 24\ndirect\n0.000220 0.000565 0.000116 Ba\n0.333505 0.000266 0.333704 Ba\n0.666833 0.000442 0.666322 Ba\n0.235255 0.279404 0.808897 V\n0.568575 0.279359 0.142073 V\n0.106365 0.491997 0.277043 Ni\n0.442129 0.492119 0.610056 Ni\n0.774094 0.491793 0.943553 Ni\n0.890840 0.506807 0.722759 Ni\n0.225145 0.506585 0.056299 Ni\n0.559777 0.507116 0.389877 Ni\n0.097933 0.720146 0.524494 As\n0.431018 0.719818 0.857737 As\n0.764335 0.719861 0.191067 As\n0.902207 0.280031 0.475580 As\n0.193170 0.934743 0.548508 O\n0.526540 0.934782 0.881684 O\n0.859945 0.934658 0.214697 O\n0.806867 0.065556 0.451768 O\n0.139511 0.063922 0.784934 O\n0.472887 0.063896 0.118131 O\n0.842215 0.653628 0.624984 O\n0.175399 0.653631 0.958312 O\n0.508511 0.653359 0.291679 O\n0.967435 0.653661 0.405748 O\n0.300289 0.653414 0.738988 O\n0.633808 0.653512 0.072339 O\n0.395450 0.653392 0.520474 O\n0.728861 0.653668 0.853873 O\n0.062177 0.653554 0.187128 O\n0.158414 0.346581 0.375070 O\n0.494244 0.347459 0.706998 O\n0.827986 0.347361 0.040313 O\n0.033813 0.346600 0.594215 O\n0.367992 0.347380 0.929241 O\n0.700527 0.347448 0.262620 O\n0.604368 0.346630 0.479672 O\n0.934134 0.347452 0.812623 O\n0.267223 0.347403 0.146425 O\n",
"nsites": 39,
"nelements": 5,
"elements": [
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"V",
"Ni",
"As",
"O"
],
"chemical_system": "As-Ba-Ni-O-V",
"density": 4.941200041076007,
"density_atomic": 0.0748861186654024,
"volume": 520.7907779845734,
"volume_molar": 8.041731721879513,
"formula_full": "Ba3 V2 Ni6 As4 O24",
"formula_reduced": "Ba3V2Ni6(AsO6)4",
"formula_anonymous": "A2B3C4D6E24",
"energy": -276.29674476,
"energy_per_atom": -7.084531916923077,
"energy_above_hull": null,
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"energy_uncorrected": -241.16274476,
"band_gap": 3.1805000000000003,
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"updated_at": "2021-11-28T01:34:24.447000Z",
"spacegroup": 1
},
{
"id": "mp-662702",
"created_at": "2022-09-04T14:39:29.890690Z",
"structure_string": "Na2 I2 O8\n1.0\n5.496691 0.000000 0.000000\n-0.047246 5.524493 0.000000\n-2.707392 -2.754534 6.178644\nNa I O\n2 2 8\ndirect\n0.870589 0.112115 0.737376 Na\n0.116726 0.868824 0.235378 Na\n0.326690 0.574151 0.652749 I\n0.580083 0.331522 0.154073 I\n0.512616 0.734812 0.536876 O\n0.067240 0.739007 0.508742 O\n0.754061 0.443853 0.011497 O\n0.267785 0.072948 0.010703 O\n0.031564 0.293916 0.544703 O\n0.303607 0.515792 0.043637 O\n0.440107 0.259885 0.513887 O\n0.747657 0.036913 0.042655 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"I",
"O"
],
"chemical_system": "I-Na-O",
"density": 3.7860503406675394,
"density_atomic": 0.0639579186206672,
"volume": 187.62336640708554,
"volume_molar": 9.415786019737705,
"formula_full": "Na2 I2 O8",
"formula_reduced": "NaIO4",
"formula_anonymous": "ABC4",
"energy": -54.65665807,
"energy_per_atom": -4.554721505833333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:40.800000Z",
"spacegroup": 1
},
{
"id": "mp-675766",
"created_at": "2022-09-04T14:39:29.938680Z",
"structure_string": "K4 C1 O6\n1.0\n5.371216 0.000000 0.000000\n-1.981519 5.451589 0.000000\n-0.446572 -0.322111 7.376046\nK C O\n4 1 6\ndirect\n0.651346 0.450142 0.769060 K\n0.067928 0.057104 0.004561 K\n0.035198 0.071666 0.480973 K\n0.325911 0.684631 0.284929 K\n0.720424 0.415423 0.247507 C\n0.883753 0.301288 0.217055 O\n0.426470 0.833271 0.647825 O\n0.128771 0.378290 0.758052 O\n0.797880 0.654983 0.233860 O\n0.480502 0.293389 0.291460 O\n0.644001 0.935508 0.759218 O\n",
"nsites": 11,
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"elements": [
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"C",
"O"
],
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"density": 2.0327861842960413,
"density_atomic": 0.05092996110499495,
"volume": 215.9828863274191,
"volume_molar": 11.824357665589066,
"formula_full": "K4 C1 O6",
"formula_reduced": "K4CO6",
"formula_anonymous": "AB4C6",
"energy": -58.02449783,
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"updated_at": "2021-11-28T01:34:34.659000Z",
"spacegroup": 1
},
{
"id": "mp-690511",
"created_at": "2022-09-04T14:39:29.982213Z",
"structure_string": "K10 Co4 O9\n1.0\n6.816740 0.000000 0.000000\n-0.239858 9.135907 0.000000\n-3.083736 -4.554483 7.338842\nK Co O\n10 4 9\ndirect\n0.088060 0.222295 0.938042 K\n0.057686 0.599250 0.340324 K\n0.262839 0.050389 0.510526 K\n0.458041 0.490192 0.676188 K\n0.556802 0.938415 0.814610 K\n0.450029 0.070116 0.178173 K\n0.550138 0.514946 0.328438 K\n0.740384 0.932820 0.473850 K\n0.923947 0.400995 0.654392 K\n0.908553 0.778306 0.066436 K\n0.037543 0.787892 0.742117 Co\n0.660311 0.347848 0.953958 Co\n0.372778 0.674757 0.065318 Co\n0.964133 0.214899 0.261115 Co\n0.135229 0.927681 0.682029 O\n0.263211 0.706445 0.869163 O\n0.227511 0.311878 0.300396 O\n0.309597 0.748985 0.262041 O\n0.672997 0.235711 0.733066 O\n0.770905 0.689866 0.696504 O\n0.623823 0.577715 0.075135 O\n0.717056 0.267073 0.116829 O\n0.874125 0.087228 0.337648 O\n",
"nsites": 23,
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],
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"density_atomic": 0.05032362281541495,
"volume": 457.04181680963404,
"volume_molar": 11.966826756668482,
"formula_full": "K10 Co4 O9",
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"formula_anonymous": "A4B9C10",
"energy": -116.90569996,
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"updated_at": "2021-11-28T01:34:31.215000Z",
"spacegroup": 1
},
{
"id": "mp-1233027",
"created_at": "2022-09-04T14:39:30.069887Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n5.465520 -0.020945 -0.018368\n2.750778 -4.713217 0.039806\n2.765728 1.661939 -10.267647\nHf Mg N O\n8 1 8 4\ndirect\n0.139482 0.432169 0.289623 Hf\n0.123808 0.904738 0.789450 Hf\n0.343598 0.351646 0.004970 Hf\n0.658263 0.189908 0.497401 Hf\n0.350448 0.841648 0.475241 Hf\n0.841957 0.081933 0.211901 Hf\n0.655912 0.681800 0.025574 Hf\n0.851957 0.553850 0.712748 Hf\n0.500857 0.232047 0.751043 Mg\n0.456870 0.111981 0.369154 N\n0.554234 0.387055 0.128048 N\n0.265665 0.546609 0.637010 N\n0.747959 0.435669 0.374144 N\n0.456074 0.595580 0.869623 N\n0.929470 0.681191 0.131163 N\n0.934901 0.157848 0.630585 N\n0.724450 0.932945 0.872595 N\n0.256563 0.067089 0.131294 O\n0.074479 0.815499 0.375068 O\n0.078349 0.304253 0.865048 O\n0.564185 0.880162 0.627337 O\n",
"nsites": 21,
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"elements": [
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],
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"volume": 263.2175968142891,
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"formula_full": "Hf8 Mg1 N8 O4",
"formula_reduced": "Hf8Mg(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy": -214.65830709,
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"updated_at": "2021-11-28T01:34:43.498000Z",
"spacegroup": 1
},
{
"id": "mp-673801",
"created_at": "2022-09-04T14:39:29.991049Z",
"structure_string": "Ca6 Nd2 F18\n1.0\n3.919030 0.000000 0.000000\n1.947086 3.414149 0.000000\n1.854097 1.052432 26.809356\nCa Nd F\n6 2 18\ndirect\n0.972370 0.963287 0.015788 Ca\n0.609294 0.571759 0.138951 Ca\n0.246864 0.213926 0.256778 Ca\n0.873674 0.865270 0.376856 Ca\n0.503880 0.513305 0.496909 Ca\n0.328179 0.380817 0.891927 Ca\n0.132775 0.148968 0.626294 Nd\n0.708619 0.770264 0.768825 Nd\n0.952164 0.916575 0.108841 F\n0.270609 0.230166 0.169348 F\n0.589746 0.551954 0.226001 F\n0.549584 0.539736 0.347616 F\n0.902647 0.877980 0.285620 F\n0.160116 0.173032 0.529962 F\n0.197054 0.192523 0.405300 F\n0.845804 0.851401 0.467705 F\n0.798650 0.814242 0.627565 F\n0.479791 0.494018 0.580314 F\n0.372275 0.432275 0.779520 F\n0.452651 0.463207 0.672725 F\n0.988554 0.025528 0.923221 F\n0.087354 0.114865 0.720581 F\n0.024206 0.086393 0.813536 F\n0.673312 0.728697 0.860895 F\n0.645359 0.642670 0.985996 F\n0.297968 0.284639 0.044426 F\n",
"nsites": 26,
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],
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"volume": 358.71326783203375,
"volume_molar": 8.308545351400337,
"formula_full": "Ca6 Nd2 F18",
"formula_reduced": "Ca3NdF9",
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{
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