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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12130",
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"results": [
{
"id": "mp-1411667",
"created_at": "2022-09-04T14:47:07.515450Z",
"structure_string": "Na6 Zn1 H4 S4 O18\n1.0\n6.133168 0.000000 0.000000\n-1.813841 6.672197 0.000000\n-0.462179 -3.694694 9.551177\nNa Zn H S O\n6 1 4 4 18\ndirect\n0.440113 0.707943 0.106768 Na\n0.559887 0.292057 0.893232 Na\n0.958249 0.215789 0.331858 Na\n0.041751 0.784211 0.668142 Na\n0.391304 0.738383 0.463449 Na\n0.608696 0.261617 0.536551 Na\n0.000000 0.000000 0.000000 Zn\n0.991056 0.632119 0.134465 H\n0.008944 0.367881 0.865535 H\n0.912533 0.643879 0.968887 H\n0.087467 0.356121 0.031113 H\n0.875486 0.733411 0.325292 S\n0.124514 0.266589 0.674708 S\n0.445828 0.205345 0.199172 S\n0.554172 0.794655 0.800828 S\n0.823291 0.883039 0.181695 O\n0.176709 0.116961 0.818305 O\n0.012414 0.855069 0.421301 O\n0.987586 0.144931 0.578699 O\n0.012745 0.589417 0.315859 O\n0.987255 0.410583 0.684141 O\n0.653289 0.613734 0.373356 O\n0.346711 0.386266 0.626644 O\n0.635122 0.352208 0.126429 O\n0.364878 0.647792 0.873571 O\n0.536296 0.098820 0.346023 O\n0.463704 0.901180 0.653977 O\n0.334154 0.041833 0.123954 O\n0.665846 0.958167 0.876046 O\n0.270270 0.323084 0.197079 O\n0.729730 0.676916 0.802921 O\n0.033730 0.697263 0.038258 O\n0.966270 0.302737 0.961742 O\n",
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"formula_full": "Na6 Zn1 H4 S4 O18",
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"updated_at": "2021-11-28T01:37:57.433000Z",
"spacegroup": 2
},
{
"id": "mp-1174348",
"created_at": "2022-09-04T14:47:07.518987Z",
"structure_string": "Li8 Mn6 O14\n1.0\n3.005506 0.000000 0.000000\n0.881056 7.806082 0.000000\n1.326388 1.675086 11.095400\nLi Mn O\n8 6 14\ndirect\n0.683625 0.160457 0.932246 Li\n0.850925 0.577817 0.203123 Li\n0.000000 0.000000 0.500000 Li\n0.149075 0.422183 0.796877 Li\n0.316375 0.839543 0.067754 Li\n0.433278 0.284048 0.355914 Li\n0.566722 0.715952 0.644086 Li\n0.500000 0.500000 0.000000 Li\n0.936025 0.775708 0.862925 Mn\n0.063975 0.224292 0.137075 Mn\n0.214338 0.642801 0.427709 Mn\n0.367521 0.067537 0.714951 Mn\n0.632479 0.932463 0.285049 Mn\n0.785662 0.357199 0.572291 Mn\n0.367464 0.943270 0.883052 O\n0.501776 0.369560 0.172877 O\n0.578033 0.822187 0.455293 O\n0.725320 0.248191 0.743966 O\n0.885763 0.692000 0.024589 O\n0.004842 0.106758 0.310629 O\n0.147194 0.535969 0.599308 O\n0.114237 0.308000 0.975411 O\n0.274680 0.751809 0.256034 O\n0.421967 0.177813 0.544707 O\n0.498224 0.630440 0.827123 O\n0.632536 0.056730 0.116948 O\n0.852806 0.464031 0.400692 O\n0.995158 0.893242 0.689371 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 3.885779524105826,
"density_atomic": 0.10756335984695814,
"volume": 260.31169015023875,
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"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy": -199.10582142,
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"updated_at": "2021-11-28T01:37:53.310000Z",
"spacegroup": 2
},
{
"id": "mp-1216477",
"created_at": "2022-09-04T14:47:07.585318Z",
"structure_string": "V8 Ga3 Mo4 S24\n1.0\n6.861947 0.000000 0.000000\n-0.168371 9.753979 0.000000\n-3.358179 -4.861032 10.392007\nV Ga Mo S\n8 3 4 24\ndirect\n0.412326 0.801774 0.807841 V\n0.745831 0.135850 0.474992 V\n0.930670 0.323776 0.859990 V\n0.270548 0.660995 0.525954 V\n0.603795 0.993883 0.191825 V\n0.791042 0.605767 0.001142 V\n0.127999 0.943282 0.666377 V\n0.462525 0.276089 0.333665 V\n0.004487 0.000877 0.999879 Ga\n0.338052 0.335255 0.667252 Ga\n0.671975 0.670043 0.334684 Ga\n0.206966 0.602352 0.002377 Mo\n0.529695 0.931211 0.666533 Mo\n0.863275 0.264938 0.333830 Mo\n0.070670 0.467466 0.136127 Mo\n0.727903 0.863316 0.999602 S\n0.060785 0.197652 0.666737 S\n0.396082 0.531163 0.334311 S\n0.578346 0.713717 0.152210 S\n0.908655 0.044533 0.817421 S\n0.241896 0.379049 0.484563 S\n0.426252 0.562025 0.848979 S\n0.757380 0.895501 0.516083 S\n0.091713 0.226602 0.182582 S\n0.275116 0.863662 0.999852 S\n0.606788 0.196219 0.666362 S\n0.939975 0.530621 0.334594 S\n0.734668 0.369423 0.995617 S\n0.084421 0.709113 0.667021 S\n0.418583 0.041993 0.333581 S\n0.908633 0.540643 0.826908 S\n0.233895 0.872288 0.488860 S\n0.567089 0.205840 0.155988 S\n0.082572 0.722876 0.174949 S\n0.411181 0.049102 0.843950 S\n0.745264 0.383728 0.511409 S\n0.260711 0.363910 0.995434 S\n0.589753 0.694901 0.666790 S\n0.922482 0.028565 0.333728 S\n",
"nsites": 39,
"nelements": 4,
"elements": [
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"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S-V",
"density": 4.225702420974314,
"density_atomic": 0.056070702952857494,
"volume": 695.5504023694867,
"volume_molar": 10.740262637804326,
"formula_full": "V8 Ga3 Mo4 S24",
"formula_reduced": "V8Ga3(MoS6)4",
"formula_anonymous": "A3B4C8D24",
"energy": -270.57312729,
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"updated_at": "2021-11-28T01:37:54.268000Z",
"spacegroup": 1
},
{
"id": "mp-756440",
"created_at": "2022-09-04T14:47:07.542477Z",
"structure_string": "Er4 Pt4 O14\n1.0\n0.000000 5.118363 5.118363\n5.118363 0.000000 5.118363\n5.118363 5.118363 0.000000\nEr Pt O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Er\n0.625000 0.625000 0.625000 Er\n0.625000 0.125000 0.625000 Er\n0.125000 0.625000 0.625000 Er\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.032369 0.467631 0.467631 O\n0.782369 0.782369 0.217631 O\n0.782369 0.217631 0.217631 O\n0.750000 0.750000 0.750000 O\n0.032369 0.467631 0.032369 O\n0.467631 0.032369 0.467631 O\n0.032369 0.032369 0.467631 O\n0.500000 0.500000 0.500000 O\n0.217631 0.217631 0.782369 O\n0.217631 0.782369 0.217631 O\n0.782369 0.217631 0.782369 O\n0.467631 0.032369 0.032369 O\n0.467631 0.467631 0.032369 O\n0.217631 0.782369 0.782369 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Pt",
"O"
],
"chemical_system": "Er-O-Pt",
"density": 10.361345836735403,
"density_atomic": 0.08203504776220326,
"volume": 268.17806047693017,
"volume_molar": 7.340936495163029,
"formula_full": "Er4 Pt4 O14",
"formula_reduced": "Er2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy": -166.34327495,
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"spacegroup": 227
},
{
"id": "mp-1040809",
"created_at": "2022-09-04T14:47:07.597275Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.079593 -2.937978 0.000000\n5.079593 2.937978 0.000000\n3.380300 0.000000 4.796619\nMg Ni O\n2 4 8\ndirect\n0.008742 0.008742 0.008742 Mg\n0.625325 0.625325 0.625325 Mg\n0.243446 0.243446 0.243446 Ni\n0.629664 0.117228 0.629664 Ni\n0.629664 0.629664 0.117228 Ni\n0.117228 0.629664 0.629664 Ni\n0.843375 0.375340 0.375340 O\n0.375340 0.375340 0.843375 O\n0.375340 0.843375 0.375340 O\n0.370473 0.370473 0.370473 O\n0.873629 0.873629 0.873629 O\n0.869226 0.419321 0.869226 O\n0.869226 0.869226 0.419321 O\n0.419321 0.869226 0.869226 O\n",
"nsites": 14,
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"elements": [
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"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.771427507319098,
"density_atomic": 0.09778795436030746,
"volume": 143.16691755730866,
"volume_molar": 6.158366640753059,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -87.23616342999999,
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"spacegroup": 160
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{
"id": "mp-23063",
"created_at": "2022-09-04T14:47:07.599564Z",
"structure_string": "Ba8 Cl12 O2\n1.0\n5.063739 -8.770654 0.000000\n5.063739 8.770654 0.000000\n0.000000 0.000000 7.699078\nBa Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.930294 Ba\n0.333333 0.666667 0.430294 Ba\n0.804412 0.608823 0.495524 Ba\n0.195588 0.804412 0.995524 Ba\n0.608823 0.804412 0.995524 Ba\n0.391177 0.195588 0.495524 Ba\n0.804412 0.195588 0.495524 Ba\n0.195588 0.391177 0.995524 Ba\n0.531337 0.468663 0.212063 Cl\n0.062674 0.531337 0.712063 Cl\n0.468663 0.937326 0.712063 Cl\n0.531337 0.062674 0.212063 Cl\n0.937326 0.468663 0.212063 Cl\n0.468663 0.531337 0.712063 Cl\n0.145503 0.291006 0.391118 Cl\n0.854497 0.145503 0.891118 Cl\n0.291006 0.145503 0.891118 Cl\n0.708994 0.854497 0.391118 Cl\n0.145503 0.854497 0.391118 Cl\n0.854497 0.708994 0.891118 Cl\n0.666667 0.333333 0.598689 O\n0.333333 0.666667 0.098689 O\n",
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"formula_full": "Ba8 Cl12 O2",
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{
"id": "mp-1073669",
"created_at": "2022-09-04T14:47:07.649693Z",
"structure_string": "Mg4 Si8\n1.0\n3.711703 0.000000 0.000000\n0.000000 5.808421 0.000000\n0.000000 0.423253 9.339517\nMg Si\n4 8\ndirect\n0.000000 0.252878 0.843202 Mg\n0.000000 0.747122 0.156798 Mg\n0.500000 0.462508 0.345120 Mg\n0.500000 0.537492 0.654880 Mg\n0.000000 0.248510 0.145382 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.805580 0.455520 Si\n0.500000 0.003373 0.304277 Si\n0.000000 0.751490 0.854618 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.194420 0.544480 Si\n0.500000 0.996627 0.695723 Si\n",
"nsites": 12,
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"formula_full": "Mg4 Si8",
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{
"id": "mp-1216217",
"created_at": "2022-09-04T14:47:07.940409Z",
"structure_string": "W4 C3 O1\n1.0\n1.476761 -2.557825 0.000000\n1.476761 2.557825 0.000000\n0.000000 0.000000 11.900665\nW C O\n4 3 1\ndirect\n0.000000 0.000000 0.360783 W\n0.000000 0.000000 0.121349 W\n0.000000 0.000000 0.878651 W\n0.000000 0.000000 0.639217 W\n0.666667 0.333333 0.244743 C\n0.666667 0.333333 0.000000 C\n0.666667 0.333333 0.755257 C\n0.666667 0.333333 0.500000 O\n",
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"elements": [
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"C",
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"formula_full": "W4 C3 O1",
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"formula_anonymous": "AB3C4",
"energy": -77.21222095,
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{
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{
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{
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{
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}