HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12162",
"results": [
{
"id": "mp-738409",
"created_at": "2022-09-04T14:40:38.925277Z",
"structure_string": "H32\n1.0\n8.471722 0.000000 0.000000\n0.000000 6.789841 0.000000\n0.000000 1.472357 7.432491\nH\n32\ndirect\n0.267084 0.006888 0.170362 H\n0.767084 0.993112 0.829638 H\n0.757931 0.526384 0.147318 H\n0.257931 0.473616 0.852682 H\n0.183112 0.980330 0.154671 H\n0.683112 0.019670 0.845329 H\n0.673022 0.541516 0.120954 H\n0.173022 0.458484 0.879046 H\n0.000835 0.555198 0.096914 H\n0.500835 0.444802 0.903086 H\n0.518924 0.947385 0.102668 H\n0.018924 0.052615 0.897332 H\n0.049089 0.490144 0.168439 H\n0.549089 0.509856 0.831561 H\n0.552509 0.031971 0.141228 H\n0.052509 0.968029 0.858772 H\n0.853613 0.840318 0.131653 H\n0.353613 0.159682 0.868347 H\n0.339082 0.696307 0.144101 H\n0.839082 0.303693 0.855899 H\n0.835230 0.901986 0.201003 H\n0.335230 0.098014 0.798997 H\n0.346917 0.587174 0.185508 H\n0.846917 0.412826 0.814492 H\n0.070400 0.680604 0.611587 H\n0.570400 0.319396 0.388413 H\n0.566066 0.836499 0.585716 H\n0.066066 0.163501 0.414284 H\n0.984721 0.651698 0.611857 H\n0.484721 0.348302 0.388143 H\n0.485466 0.864041 0.614794 H\n0.985466 0.135959 0.385206 H\n",
"nsites": 32,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1252760536033053,
"density_atomic": 0.07484870418051914,
"volume": 427.52911156381293,
"volume_molar": 8.045751527609454,
"formula_full": "H32",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -108.02237087,
"energy_per_atom": -3.3756990896875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.02237087,
"band_gap": 8.1865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.397000Z",
"spacegroup": 4
},
{
"id": "mp-614456",
"created_at": "2022-09-04T14:40:43.831991Z",
"structure_string": "He1\n1.0\n0.000000 1.849047 1.849047\n1.849047 0.000000 1.849047\n1.849047 1.849047 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.5256754057633166,
"density_atomic": 0.0790908336294941,
"volume": 12.643690224388857,
"volume_molar": 7.614208225710568,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00075975,
"energy_per_atom": -0.00075975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00075975,
"band_gap": 17.8914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.661000Z",
"spacegroup": 225
},
{
"id": "mp-604318",
"created_at": "2022-09-04T14:40:39.078397Z",
"structure_string": "K4\n1.0\n2.352767 -4.075113 0.000000\n2.352767 4.075113 0.000000\n0.000000 0.000000 15.280084\nK\n4\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.750000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.250000 K\n",
"nsites": 4,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8863242870425809,
"density_atomic": 0.013651666741064489,
"volume": 293.0045155561789,
"volume_molar": 44.11286089987297,
"formula_full": "K4",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -4.39472201,
"energy_per_atom": -1.0986805025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.39472201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0571651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.834000Z",
"spacegroup": 194
},
{
"id": "mp-10661",
"created_at": "2022-09-04T14:40:43.658976Z",
"structure_string": "Tm1\n1.0\n-1.970482 1.970482 1.970482\n1.970482 -1.970482 1.970482\n1.970482 1.970482 -1.970482\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.166199288685815,
"density_atomic": 0.032675526389683796,
"volume": 30.603944618187285,
"volume_molar": 18.43012623019683,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.33507765,
"energy_per_atom": -4.33507765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.33507765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0308901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.036000Z",
"spacegroup": 229
},
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7602893333027019,
"density_atomic": 0.043615347241879474,
"volume": 22.92770924083804,
"volume_molar": 13.807389235267943,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57447816,
"energy_per_atom": -1.57447816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57447816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-1196857",
"created_at": "2022-09-04T14:39:11.168662Z",
"structure_string": "C52\n1.0\n9.105024 0.000000 0.000000\n0.000000 18.943520 0.000000\n0.000000 0.000000 5.917269\nC\n52\ndirect\n0.860296 0.788265 0.077894 C\n0.360296 0.711735 0.422106 C\n0.139704 0.288265 0.922106 C\n0.639704 0.211735 0.577894 C\n0.139704 0.211735 0.922106 C\n0.639704 0.288265 0.577894 C\n0.860296 0.711735 0.077894 C\n0.360296 0.788265 0.422106 C\n0.922058 0.840189 0.207588 C\n0.422058 0.659811 0.292412 C\n0.077942 0.340189 0.792412 C\n0.577942 0.159811 0.707588 C\n0.077942 0.159811 0.792412 C\n0.577942 0.340189 0.707588 C\n0.922058 0.659811 0.207588 C\n0.422058 0.840189 0.292412 C\n0.898630 0.905657 0.156797 C\n0.398630 0.594343 0.343203 C\n0.101370 0.405657 0.843203 C\n0.601370 0.094343 0.656797 C\n0.101370 0.094343 0.843203 C\n0.601370 0.405657 0.656797 C\n0.898630 0.594343 0.156797 C\n0.398630 0.905657 0.343203 C\n0.819340 0.926678 0.984225 C\n0.319340 0.573322 0.515775 C\n0.180660 0.426678 0.015775 C\n0.680660 0.073322 0.484225 C\n0.180660 0.073322 0.015775 C\n0.680660 0.426678 0.484225 C\n0.819340 0.573322 0.984225 C\n0.319340 0.926678 0.515775 C\n0.753751 0.885473 0.844101 C\n0.253751 0.614527 0.655899 C\n0.246249 0.385473 0.155899 C\n0.746249 0.114527 0.344101 C\n0.246249 0.114527 0.155899 C\n0.746249 0.385473 0.344101 C\n0.753751 0.614527 0.844101 C\n0.253751 0.885473 0.655899 C\n0.767227 0.813059 0.875266 C\n0.267227 0.686941 0.624734 C\n0.232773 0.313059 0.124734 C\n0.732773 0.186941 0.375266 C\n0.232773 0.186941 0.124734 C\n0.732773 0.313059 0.375266 C\n0.767227 0.686941 0.875266 C\n0.267227 0.813059 0.624734 C\n0.721100 0.750000 0.773747 C\n0.221100 0.750000 0.726253 C\n0.278900 0.250000 0.226253 C\n0.778900 0.250000 0.273747 C\n",
"nsites": 52,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0161496501694414,
"density_atomic": 0.05094953856694336,
"volume": 1020.61768295853,
"volume_molar": 11.819814132541001,
"formula_full": "C52",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -396.63443624,
"energy_per_atom": -7.627585312307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63443624,
"band_gap": 0.5989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0250677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.549000Z",
"spacegroup": 62
},
{
"id": "mp-972351",
"created_at": "2022-09-04T14:39:10.989706Z",
"structure_string": "Tl3\n1.0\n8.303442 -1.825894 0.000000\n8.303442 1.825894 0.000000\n7.901935 0.000000 3.136951\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.220598 0.220598 0.220598 Tl\n0.779402 0.779402 0.779402 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.703955888179133,
"density_atomic": 0.03153913703796827,
"volume": 95.11991391484369,
"volume_molar": 19.09418368914238,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -7.08792944,
"energy_per_atom": -2.3626431466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08792944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.817000Z",
"spacegroup": 166
},
{
"id": "mp-99",
"created_at": "2022-09-04T14:39:13.064391Z",
"structure_string": "Er2\n1.0\n1.793652 -3.106697 0.000000\n1.793652 3.106697 0.000000\n0.000000 0.000000 5.545683\nEr\n2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 8.987656551709964,
"density_atomic": 0.03235995245436004,
"volume": 61.804787965024616,
"volume_molar": 18.60985663836661,
"formula_full": "Er2",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -9.12207932,
"energy_per_atom": -4.56103966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.12207932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5174163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.120000Z",
"spacegroup": 194
},
{
"id": "mp-162",
"created_at": "2022-09-04T14:39:13.665711Z",
"structure_string": "Yb1\n1.0\n0.000000 2.724625 2.724625\n2.724625 0.000000 2.724625\n2.724625 2.724625 0.000000\nYb\n1\ndirect\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.103058583920425,
"density_atomic": 0.024720075493341084,
"volume": 40.452950892863285,
"volume_molar": 24.361336443419038,
"formula_full": "Yb1",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -1.53679337,
"energy_per_atom": -1.53679337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.53679337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.286000Z",
"spacegroup": 225
},
{
"id": "mp-19",
"created_at": "2022-09-04T14:39:15.342777Z",
"structure_string": "Te3\n1.0\n2.256187 -3.907831 0.000000\n2.256187 3.907831 0.000000\n0.000000 0.000000 5.959899\nTe\n3\ndirect\n0.268950 0.000000 0.333333 Te\n0.000000 0.268950 0.666667 Te\n0.731050 0.731050 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.0484105835889945,
"density_atomic": 0.028545752289368467,
"volume": 105.09444521163715,
"volume_molar": 21.09645140528623,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.42990279,
"energy_per_atom": -3.14330093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42990279,
"band_gap": 0.5129000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.257000Z",
"spacegroup": 152
},
{
"id": "mp-1983234",
"created_at": "2022-09-04T14:39:14.970650Z",
"structure_string": "U16\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-11.380962 0.000000 0.000000\nU\n16\ndirect\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.000000 U\n0.000000 0.281920 0.500000 U\n0.000000 0.718080 0.500000 U\n0.500000 0.283089 0.122605 U\n0.500000 0.283089 0.877395 U\n0.500000 0.716911 0.877395 U\n0.500000 0.716911 0.122605 U\n0.000000 0.222753 0.248627 U\n0.000000 0.222753 0.751373 U\n0.000000 0.777247 0.751373 U\n0.000000 0.777247 0.248627 U\n0.500000 0.223072 0.376107 U\n0.500000 0.223072 0.623893 U\n0.500000 0.776928 0.623893 U\n0.500000 0.776928 0.376107 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 338.05664467666554,
"volume_molar": 12.723904369351153,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -174.9898787,
"energy_per_atom": -10.93686741875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.9898787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0739257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.421000Z",
"spacegroup": 47
},
{
"id": "mp-1182070",
"created_at": "2022-09-04T14:39:16.833835Z",
"structure_string": "Bi4\n1.0\n4.610810 0.000000 0.000000\n0.000000 4.732006 0.000000\n0.000000 0.099239 6.500672\nBi\n4\ndirect\n0.250000 0.840253 0.759398 Bi\n0.250000 0.716008 0.262106 Bi\n0.750000 0.283992 0.737894 Bi\n0.750000 0.159747 0.240602 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.786645972368195,
"density_atomic": 0.028201955606485377,
"volume": 141.83413575334302,
"volume_molar": 21.35362825198951,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.32775581,
"energy_per_atom": -3.8319389525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.32775581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.681000Z",
"spacegroup": 11
}
]
}