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{
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"results": [
{
"id": "mp-774921",
"created_at": "2022-09-04T14:40:25.535831Z",
"structure_string": "K4 Li4 Ni4 O8\n1.0\n5.811931 -0.042706 0.118319\n0.899212 -2.008986 7.248126\n-1.939023 -6.341585 0.000544\nK Li Ni O\n4 4 4 8\ndirect\n0.696107 0.626097 0.767541 K\n0.696061 0.626113 0.267582 K\n0.303893 0.373903 0.232459 K\n0.303939 0.373887 0.732418 K\n0.368267 0.948544 0.854858 Li\n0.368369 0.948556 0.355045 Li\n0.631733 0.051456 0.145141 Li\n0.631631 0.051443 0.644956 Li\n0.922059 0.183971 0.934540 Ni\n0.077942 0.816030 0.065459 Ni\n0.922095 0.184287 0.434480 Ni\n0.077904 0.815712 0.565520 Ni\n0.268586 0.082098 0.046573 O\n0.268369 0.081958 0.546548 O\n0.731414 0.917901 0.953427 O\n0.731631 0.918043 0.453451 O\n0.223833 0.700769 0.880831 O\n0.223594 0.700629 0.380685 O\n0.776167 0.299231 0.119169 O\n0.776406 0.299372 0.619315 O\n",
"nsites": 20,
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],
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"volume": 266.60138247309965,
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"formula_full": "K4 Li4 Ni4 O8",
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"energy": -103.98426954,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:57.113000Z",
"spacegroup": 12
},
{
"id": "mp-759641",
"created_at": "2022-09-04T14:46:05.681664Z",
"structure_string": "Li8 Mn8 O8 F16\n1.0\n5.627633 0.000000 0.000000\n0.000000 9.003819 0.000000\n0.000000 0.000000 10.000599\nLi Mn O F\n8 8 8 16\ndirect\n0.447542 0.337741 0.547991 Li\n0.947542 0.162259 0.547991 Li\n0.947542 0.662259 0.452009 Li\n0.447542 0.837741 0.452009 Li\n0.529636 0.682449 0.060673 Li\n0.029636 0.817551 0.060673 Li\n0.029636 0.317551 0.939327 Li\n0.529636 0.182449 0.939327 Li\n0.754551 0.496712 0.737373 Mn\n0.249493 0.659736 0.735401 Mn\n0.749493 0.840264 0.735401 Mn\n0.254551 0.003288 0.737373 Mn\n0.249493 0.159736 0.264599 Mn\n0.754551 0.996712 0.262627 Mn\n0.254551 0.503288 0.262627 Mn\n0.749493 0.340264 0.264599 Mn\n0.899686 0.671695 0.655066 O\n0.399686 0.828305 0.655066 O\n0.453314 0.520335 0.663614 O\n0.953314 0.979665 0.663614 O\n0.953314 0.479665 0.336386 O\n0.453314 0.020335 0.336386 O\n0.899686 0.171695 0.344934 O\n0.399686 0.328305 0.344934 O\n0.276081 0.174644 0.601720 F\n0.776081 0.325356 0.601720 F\n0.776081 0.825356 0.398280 F\n0.276081 0.674644 0.398280 F\n0.109281 0.309302 0.125458 F\n0.609281 0.190698 0.125458 F\n0.579331 0.505895 0.169913 F\n0.079331 0.994105 0.169913 F\n0.701085 0.846572 0.119599 F\n0.201085 0.653428 0.119599 F\n0.701085 0.346572 0.880401 F\n0.201085 0.153428 0.880401 F\n0.079331 0.494105 0.830087 F\n0.579331 0.005895 0.830087 F\n0.609281 0.690698 0.874542 F\n0.109281 0.809302 0.874542 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.0377444548305053,
"density_atomic": 0.07893715217527755,
"volume": 506.73224074743933,
"volume_molar": 7.62903220352822,
"formula_full": "Li8 Mn8 O8 F16",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -262.83844896,
"energy_per_atom": -6.5709612239999995,
"energy_above_hull": null,
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"energy_uncorrected": -236.60644896,
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"is_magnetic": true,
"total_magnetization": 32.0021229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.786000Z",
"spacegroup": 29
},
{
"id": "mp-760156",
"created_at": "2022-09-04T14:46:07.599765Z",
"structure_string": "Li8 Mn8 O8 F16\n1.0\n5.380495 0.000000 0.000000\n0.259975 8.678964 0.000000\n1.202142 0.025850 10.117093\nLi Mn O F\n8 8 8 16\ndirect\n0.214326 0.612646 0.206728 Li\n0.780241 0.906085 0.295284 Li\n0.674911 0.397995 0.214917 Li\n0.289798 0.088616 0.286708 Li\n0.698799 0.909997 0.687091 Li\n0.322023 0.590057 0.816243 Li\n0.186620 0.092002 0.701179 Li\n0.820165 0.408816 0.802655 Li\n0.106006 0.359067 0.053836 Mn\n0.250689 0.910136 0.009734 Mn\n0.730559 0.083036 0.006324 Mn\n0.752783 0.715866 0.018915 Mn\n0.752793 0.208992 0.485576 Mn\n0.759456 0.594475 0.487668 Mn\n0.269531 0.417225 0.494172 Mn\n0.264714 0.775304 0.488337 Mn\n0.862003 0.903525 0.095565 O\n0.919472 0.537383 0.113780 O\n0.402408 0.077093 0.087751 O\n0.421267 0.756815 0.094329 O\n0.859616 0.217209 0.117140 O\n0.589368 0.743071 0.399953 O\n0.608920 0.422160 0.411686 O\n0.146677 0.592477 0.405475 O\n0.384806 0.427555 0.140001 F\n0.100249 0.920138 0.357845 F\n0.103962 0.258134 0.378033 F\n0.591322 0.077374 0.358612 F\n0.411385 0.588975 0.629659 F\n0.374802 0.917279 0.619000 F\n0.920291 0.424889 0.604522 F\n0.917786 0.754974 0.597190 F\n0.879675 0.082751 0.632494 F\n0.378172 0.250608 0.604666 F\n0.105569 0.747851 0.900378 F\n0.083638 0.064559 0.894684 F\n0.645937 0.587805 0.877269 F\n0.653391 0.241044 0.889130 F\n0.621113 0.926823 0.876859 F\n0.144758 0.409197 0.858610 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2582463135062083,
"density_atomic": 0.08466699187444562,
"volume": 472.439130225824,
"volume_molar": 7.112737356879707,
"formula_full": "Li8 Mn8 O8 F16",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -262.94964853,
"energy_per_atom": -6.57374121325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -236.71764853,
"band_gap": 0.5151,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 32.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.401000Z",
"spacegroup": 1
},
{
"id": "mp-1223310",
"created_at": "2022-09-04T14:46:11.898461Z",
"structure_string": "K1 Nb1 O2 F1\n1.0\n4.047334 0.000000 0.000000\n0.000000 4.047334 0.000000\n0.000000 0.000000 4.340047\nK Nb O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Nb",
"O",
"F"
],
"chemical_system": "F-K-Nb-O",
"density": 4.274370196179917,
"density_atomic": 0.07032949208098577,
"volume": 71.0939301856809,
"volume_molar": 8.562753095195667,
"formula_full": "K1 Nb1 O2 F1",
"formula_reduced": "KNbO2F",
"formula_anonymous": "ABCD2",
"energy": -37.02511703,
"energy_per_atom": -7.405023406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -35.18911703,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.360000Z",
"spacegroup": 123
},
{
"id": "mp-1235473",
"created_at": "2022-09-04T14:46:09.824384Z",
"structure_string": "Rb1 Li1 Ag1 O2\n1.0\n3.395443 0.000000 0.000000\n0.000000 5.441710 0.000000\n0.000000 0.000000 5.897933\nRb Li Ag O\n1 1 1 2\ndirect\n0.500000 0.353246 0.500000 Rb\n0.000000 0.895452 0.500000 Li\n0.500000 0.021909 0.000000 Ag\n0.000000 0.039697 0.232663 O\n0.000000 0.039697 0.767337 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O-Rb",
"density": 3.5393327069686165,
"density_atomic": 0.04588157648192931,
"volume": 108.9762031600914,
"volume_molar": 13.125400698408544,
"formula_full": "Rb1 Li1 Ag1 O2",
"formula_reduced": "RbLiAgO2",
"formula_anonymous": "ABCD2",
"energy": -20.56163459,
"energy_per_atom": -4.112326918,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -19.18763459,
"band_gap": 0.0,
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"total_magnetization": 0.3259122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.398000Z",
"spacegroup": 25
},
{
"id": "mp-1225121",
"created_at": "2022-09-04T14:46:04.640859Z",
"structure_string": "Eu1 Si2 Pd1 Au1\n1.0\n-2.175823 2.175823 5.034302\n2.175823 -2.175823 5.034302\n2.175823 2.175823 -5.034302\nEu Si Pd Au\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.618159 0.618159 0.000000 Si\n0.381841 0.381841 0.000000 Si\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Eu",
"Si",
"Pd",
"Au"
],
"chemical_system": "Au-Eu-Pd-Si",
"density": 8.909773547084974,
"density_atomic": 0.052447358733774666,
"volume": 95.33368544601535,
"volume_molar": 11.482257458509356,
"formula_full": "Eu1 Si2 Pd1 Au1",
"formula_reduced": "EuSi2PdAu",
"formula_anonymous": "ABCD2",
"energy": -32.849452109999994,
"energy_per_atom": -6.5698904219999985,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -32.99145211,
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"updated_at": "2021-11-28T01:37:21.687000Z",
"spacegroup": 119
},
{
"id": "mp-1209299",
"created_at": "2022-09-04T14:41:18.419125Z",
"structure_string": "Pr2 Si2 Os4 C2\n1.0\n1.998666 -5.560114 0.000000\n1.998666 5.560114 0.000000\n0.000000 0.000000 7.219218\nPr Si Os C\n2 2 4 2\ndirect\n0.548970 0.451030 0.250000 Pr\n0.451030 0.548970 0.750000 Pr\n0.270114 0.729886 0.250000 Si\n0.729886 0.270114 0.750000 Si\n0.833728 0.166272 0.060180 Os\n0.166272 0.833728 0.939820 Os\n0.166272 0.833728 0.560180 Os\n0.833728 0.166272 0.439820 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Os",
"C"
],
"chemical_system": "C-Os-Pr-Si",
"density": 11.62135638499478,
"density_atomic": 0.06232408729141582,
"volume": 160.45160763031896,
"volume_molar": 9.662621663180708,
"formula_full": "Pr2 Si2 Os4 C2",
"formula_reduced": "PrSiOs2C",
"formula_anonymous": "ABCD2",
"energy": -88.33939459999999,
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"updated_at": "2021-11-28T01:35:09.168000Z",
"spacegroup": 63
},
{
"id": "mp-759975",
"created_at": "2022-09-04T14:41:13.794160Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n2.590938 4.529888 -0.045632\n-0.053511 2.950081 9.401514\n2.583618 -4.525518 0.017518\nLi Mn O F\n4 4 4 8\ndirect\n0.570905 0.298772 0.451705 Li\n0.929095 0.201228 0.048295 Li\n0.455853 0.701155 0.578417 Li\n0.044147 0.798845 0.921583 Li\n0.359201 0.013796 0.683130 Mn\n0.140799 0.486204 0.816870 Mn\n0.836568 0.513687 0.178428 Mn\n0.663432 0.986313 0.321572 Mn\n0.624008 0.101770 0.655771 O\n0.834206 0.605623 0.546694 O\n0.665794 0.894377 0.953306 O\n0.875992 0.398230 0.844229 O\n0.118075 0.634286 0.205258 F\n0.318642 0.130751 0.070079 F\n0.181358 0.369249 0.429921 F\n0.531693 0.379656 0.102829 F\n0.068694 0.885564 0.617786 F\n0.381925 0.865714 0.294742 F\n0.968307 0.120344 0.397171 F\n0.431306 0.614436 0.882214 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.486710755979268,
"density_atomic": 0.09060374288503782,
"volume": 220.7414325628569,
"volume_molar": 6.6466798922878585,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -131.33554722,
"energy_per_atom": -6.566777361,
"energy_above_hull": null,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.444000Z",
"spacegroup": 2
},
{
"id": "mp-1206657",
"created_at": "2022-09-04T14:41:17.511074Z",
"structure_string": "Nd2 P2 Os4 C2\n1.0\n1.972089 -5.534794 0.000000\n1.972089 5.534794 0.000000\n0.000000 0.000000 7.121230\nNd P Os C\n2 2 4 2\ndirect\n0.545701 0.454299 0.250000 Nd\n0.454299 0.545701 0.750000 Nd\n0.269393 0.730607 0.250000 P\n0.730607 0.269393 0.750000 P\n0.832581 0.167419 0.053310 Os\n0.167419 0.832581 0.946690 Os\n0.167419 0.832581 0.553310 Os\n0.832581 0.167419 0.446690 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"P",
"Os",
"C"
],
"chemical_system": "C-Nd-Os-P",
"density": 12.127594014410827,
"density_atomic": 0.06432607006590417,
"volume": 155.45796579450092,
"volume_molar": 9.361897522777499,
"formula_full": "Nd2 P2 Os4 C2",
"formula_reduced": "NdPOs2C",
"formula_anonymous": "ABCD2",
"energy": -88.27997666,
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"energy_above_hull": null,
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"energy_uncorrected": -88.27997666,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.743000Z",
"spacegroup": 63
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{
"id": "mp-1205704",
"created_at": "2022-09-04T14:41:10.029393Z",
"structure_string": "Ho2 P2 Ru4 C2\n1.0\n1.886602 -5.536212 0.000000\n1.886602 5.536212 0.000000\n0.000000 0.000000 7.045787\nHo P Ru C\n2 2 4 2\ndirect\n0.544255 0.455745 0.250000 Ho\n0.455745 0.544255 0.750000 Ho\n0.267759 0.732241 0.250000 P\n0.732241 0.267759 0.750000 P\n0.835086 0.164914 0.052924 Ru\n0.164914 0.835086 0.947076 Ru\n0.164914 0.835086 0.552924 Ru\n0.835086 0.164914 0.447076 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"P",
"Ru",
"C"
],
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"density": 9.25269966584047,
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"volume": 147.18125726504832,
"volume_molar": 8.863462484838935,
"formula_full": "Ho2 P2 Ru4 C2",
"formula_reduced": "HoPRu2C",
"formula_anonymous": "ABCD2",
"energy": -82.29351247,
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"updated_at": "2021-11-28T01:35:09.097000Z",
"spacegroup": 63
},
{
"id": "mp-1218973",
"created_at": "2022-09-04T14:41:07.431987Z",
"structure_string": "Sm1 Zn1 Ag1 As2\n1.0\n2.149234 -3.722582 0.000000\n2.149234 3.722582 0.000000\n0.000000 0.000000 6.924138\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985242 Sm\n0.666667 0.333333 0.375096 Zn\n0.333333 0.666667 0.636369 Ag\n0.333333 0.666667 0.244362 As\n0.666667 0.333333 0.758931 As\n",
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"volume": 110.79589905384483,
"volume_molar": 13.34456999466009,
"formula_full": "Sm1 Zn1 Ag1 As2",
"formula_reduced": "SmZnAgAs2",
"formula_anonymous": "ABCD2",
"energy": -21.28352869,
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"energy_uncorrected": -21.28352869,
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"total_magnetization": 7.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.999000Z",
"spacegroup": 156
},
{
"id": "mp-1205543",
"created_at": "2022-09-04T14:41:09.678507Z",
"structure_string": "Tb2 Fe4 Si2 C2\n1.0\n1.889617 -5.224038 0.000000\n1.889617 5.224038 0.000000\n0.000000 0.000000 6.736789\nTb Fe Si C\n2 4 2 2\ndirect\n0.551557 0.448443 0.250000 Tb\n0.448443 0.551557 0.750000 Tb\n0.834587 0.165413 0.063303 Fe\n0.165413 0.834587 0.936697 Fe\n0.165413 0.834587 0.563303 Fe\n0.834587 0.165413 0.436697 Fe\n0.270767 0.729233 0.250000 Si\n0.729233 0.270767 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tb",
"density": 7.758422654713472,
"density_atomic": 0.07518599375916929,
"volume": 133.00349573128375,
"volume_molar": 8.0096577286585,
"formula_full": "Tb2 Fe4 Si2 C2",
"formula_reduced": "TbFe2SiC",
"formula_anonymous": "ABCD2",
"energy": -77.47516517000001,
"energy_per_atom": -7.747516517000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.61716517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.035000Z",
"spacegroup": 63
}
]
}