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=-volume_molar&page=12188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=12186",
"results": [
{
"id": "mp-1009077",
"created_at": "2022-09-04T14:41:30.623270Z",
"structure_string": "Fe1 H1\n1.0\n0.000000 1.880473 1.880473\n1.880473 0.000000 1.880473\n1.880473 1.880473 0.000000\nFe H\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 7.098567613253713,
"density_atomic": 0.1503829823969142,
"volume": 13.29937715107477,
"volume_molar": 4.004536061205003,
"formula_full": "Fe1 H1",
"formula_reduced": "FeH",
"formula_anonymous": "AB",
"energy": -11.99969785,
"energy_per_atom": -5.999848925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.82069785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1033508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.512000Z",
"spacegroup": 225
},
{
"id": "mp-1008374",
"created_at": "2022-09-04T14:45:54.444880Z",
"structure_string": "C4\n1.0\n1.350784 -3.910561 0.000000\n1.350784 3.910561 0.000000\n0.000000 0.000000 2.512001\nC\n4\ndirect\n0.689425 0.310575 0.500000 C\n0.585855 0.414145 0.000000 C\n0.310575 0.689425 0.500000 C\n0.414145 0.585855 0.000000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.0060945211445484,
"density_atomic": 0.1507249731527165,
"volume": 26.538402471282236,
"volume_molar": 3.995449880689837,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -35.16101595,
"energy_per_atom": -8.7902539875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.16101595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.724000Z",
"spacegroup": 65
},
{
"id": "mp-989466",
"created_at": "2022-09-04T14:46:55.335849Z",
"structure_string": "B8 C12 N24\n1.0\n2.178900 9.727440 0.000000\n-2.178900 9.727440 0.000000\n0.000000 1.085838 6.878990\nB C N\n8 12 24\ndirect\n0.631804 0.994332 0.031915 B\n0.733659 0.388275 0.446352 B\n0.611725 0.266341 0.053648 B\n0.388275 0.733659 0.946352 B\n0.994332 0.631804 0.531915 B\n0.368196 0.005668 0.968085 B\n0.266341 0.611725 0.553648 B\n0.005668 0.368196 0.468085 B\n0.808217 0.097875 0.688840 C\n0.118585 0.460247 0.216891 C\n0.184561 0.563734 0.916311 C\n0.436266 0.815439 0.583689 C\n0.563734 0.184561 0.416311 C\n0.881415 0.539753 0.783109 C\n0.539753 0.881415 0.283109 C\n0.815439 0.436266 0.083689 C\n0.902125 0.191783 0.811160 C\n0.460247 0.118585 0.716891 C\n0.097875 0.808217 0.188840 C\n0.191783 0.902125 0.311160 C\n0.969163 0.664352 0.036612 N\n0.470235 0.218691 0.864269 N\n0.934668 0.243689 0.284233 N\n0.193934 0.861042 0.117953 N\n0.065332 0.756311 0.715767 N\n0.756311 0.065332 0.215767 N\n0.280278 0.571097 0.042641 N\n0.579960 0.885159 0.821626 N\n0.571097 0.280278 0.542641 N\n0.861042 0.193934 0.617953 N\n0.420040 0.114841 0.178374 N\n0.428903 0.719722 0.457359 N\n0.114841 0.420040 0.678374 N\n0.664352 0.969163 0.536612 N\n0.806066 0.138958 0.882047 N\n0.218691 0.470235 0.364269 N\n0.781309 0.529765 0.635731 N\n0.243689 0.934668 0.784233 N\n0.335648 0.030837 0.463388 N\n0.719722 0.428903 0.957359 N\n0.885159 0.579960 0.321626 N\n0.138958 0.806066 0.382047 N\n0.030837 0.335648 0.963388 N\n0.529765 0.781309 0.135731 N\n",
"nsites": 44,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.227534813709635,
"density_atomic": 0.1508905852877947,
"volume": 291.60202351974766,
"volume_molar": 3.9910646171289796,
"formula_full": "B8 C12 N24",
"formula_reduced": "B2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy": -358.24782821,
"energy_per_atom": -8.141996095681819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.58382821,
"band_gap": 1.9254999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.310000Z",
"spacegroup": 15
},
{
"id": "mp-1078541",
"created_at": "2022-09-04T14:47:02.429089Z",
"structure_string": "B2 C4 N2\n1.0\n2.567978 2.573875 0.000000\n-2.567978 2.573875 0.000000\n0.000000 1.177554 4.004578\nB C N\n2 4 2\ndirect\n0.695543 0.695543 0.662493 B\n0.304457 0.304457 0.337507 B\n0.092399 0.608468 0.115257 C\n0.907601 0.391532 0.884743 C\n0.608468 0.092399 0.115257 C\n0.391532 0.907601 0.884743 C\n0.205328 0.205328 0.690455 N\n0.794672 0.794672 0.309545 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.0639469543639484,
"density_atomic": 0.15112088344567728,
"volume": 52.93775299345522,
"volume_molar": 3.984982500558734,
"formula_full": "B2 C4 N2",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy": -67.67799056999999,
"energy_per_atom": -8.459748821249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.95599057,
"band_gap": 2.4682999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.040000Z",
"spacegroup": 12
},
{
"id": "mp-973963",
"created_at": "2022-09-04T14:43:16.605532Z",
"structure_string": "Ni2 H6\n1.0\n2.554054 -4.423751 0.000000\n2.554054 4.423751 0.000000\n0.000000 0.000000 2.340432\nNi H\n2 6\ndirect\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.209550 0.419100 0.250000 H\n0.580900 0.790450 0.250000 H\n0.209550 0.790450 0.250000 H\n0.790450 0.580900 0.750000 H\n0.419100 0.209550 0.750000 H\n0.790450 0.209550 0.750000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"H"
],
"chemical_system": "H-Ni",
"density": 3.875597582624382,
"density_atomic": 0.15126665899562783,
"volume": 52.886736926153894,
"volume_molar": 3.9811421763298562,
"formula_full": "Ni2 H6",
"formula_reduced": "NiH3",
"formula_anonymous": "AB3",
"energy": -30.66121533,
"energy_per_atom": -3.83265191625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58721533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.183000Z",
"spacegroup": 194
},
{
"id": "mp-1077506",
"created_at": "2022-09-04T14:40:04.709862Z",
"structure_string": "B3 N3\n1.0\n-1.333265 2.121333 3.502511\n1.333265 -2.121333 3.502511\n1.333265 2.121333 -3.502511\nB N\n3 3\ndirect\n0.050698 0.000000 0.050698 B\n0.768669 0.192725 0.575944 B\n0.383219 0.807275 0.575944 B\n0.015712 0.808479 0.207232 N\n0.398753 0.191521 0.207232 N\n0.722949 0.000000 0.722949 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.12008953568589,
"density_atomic": 0.15142110972569384,
"volume": 39.6245940270103,
"volume_molar": 3.9770813798085216,
"formula_full": "B3 N3",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -52.00560677,
"energy_per_atom": -8.667601128333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.92260677,
"band_gap": 0.9469999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.520000Z",
"spacegroup": 44
},
{
"id": "mp-1105655",
"created_at": "2022-09-04T14:48:26.938478Z",
"structure_string": "C12 N8\n1.0\n5.091471 0.000000 0.000000\n0.000000 5.091471 0.000000\n0.000000 0.000000 5.091471\nC N\n12 8\ndirect\n0.500000 0.155977 0.844023 C\n0.155977 0.155977 0.500000 C\n0.155977 0.500000 0.844023 C\n0.500000 0.844023 0.155977 C\n0.155977 0.844023 0.500000 C\n0.155977 0.500000 0.155977 C\n0.500000 0.155977 0.155977 C\n0.844023 0.155977 0.500000 C\n0.844023 0.500000 0.155977 C\n0.500000 0.844023 0.844023 C\n0.844023 0.844023 0.500000 C\n0.844023 0.500000 0.844023 C\n0.257107 0.257107 0.742893 N\n0.257107 0.742893 0.257107 N\n0.742893 0.257107 0.257107 N\n0.742893 0.742893 0.742893 N\n0.742893 0.742893 0.257107 N\n0.742893 0.257107 0.742893 N\n0.257107 0.742893 0.742893 N\n0.257107 0.257107 0.257107 N\n",
"nsites": 20,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.2230562566024212,
"density_atomic": 0.15153054048579553,
"volume": 131.9865944903351,
"volume_molar": 3.974209252269192,
"formula_full": "C12 N8",
"formula_reduced": "C3N2",
"formula_anonymous": "A2B3",
"energy": -172.13536777999997,
"energy_per_atom": -8.606768388999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.24736778,
"band_gap": 3.2759,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.286000Z",
"spacegroup": 221
},
{
"id": "mp-1188347",
"created_at": "2022-09-04T14:39:10.896059Z",
"structure_string": "C12 N8\n1.0\n5.085362 0.000000 0.000000\n0.000000 5.085362 0.000000\n0.000000 0.000000 5.085362\nC N\n12 8\ndirect\n0.503235 0.844052 0.155948 C\n0.844052 0.844052 0.496765 C\n0.844052 0.503235 0.155948 C\n0.503235 0.155948 0.844052 C\n0.844052 0.155948 0.503235 C\n0.844052 0.496765 0.844052 C\n0.496765 0.844052 0.844052 C\n0.155948 0.844052 0.503235 C\n0.155948 0.503235 0.844052 C\n0.496765 0.155948 0.155948 C\n0.155948 0.155948 0.496765 C\n0.155948 0.496765 0.155948 C\n0.754682 0.754682 0.245318 N\n0.754682 0.245318 0.754682 N\n0.245318 0.754682 0.754682 N\n0.245318 0.245318 0.245318 N\n0.269684 0.269684 0.730316 N\n0.269684 0.730316 0.269684 N\n0.730316 0.269684 0.269684 N\n0.730316 0.730316 0.730316 N\n",
"nsites": 20,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.2346857019465185,
"density_atomic": 0.15207729362885072,
"volume": 131.51207207047366,
"volume_molar": 3.959921048238286,
"formula_full": "C12 N8",
"formula_reduced": "C3N2",
"formula_anonymous": "A2B3",
"energy": -172.14179856,
"energy_per_atom": -8.607089928,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.25379856,
"band_gap": 3.745799999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.283000Z",
"spacegroup": 215
},
{
"id": "mp-32959",
"created_at": "2022-09-04T14:46:20.723927Z",
"structure_string": "H4 O2\n1.0\n3.413821 0.000000 0.000000\n0.000000 3.413821 0.000000\n0.000000 0.000000 3.381228\nH O\n4 2\ndirect\n0.336943 0.336943 0.327406 H\n0.663057 0.663057 0.327406 H\n0.836943 0.163057 0.827406 H\n0.163057 0.836943 0.827406 H\n0.000000 0.000000 0.005188 O\n0.500000 0.500000 0.505188 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.5183229676779755,
"density_atomic": 0.1522633225848976,
"volume": 39.40541883718959,
"volume_molar": 3.955082982405188,
"formula_full": "H4 O2",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy": -30.75168684,
"energy_per_atom": -5.12528114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.377686840000003,
"band_gap": 5.275399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.328000Z",
"spacegroup": 102
},
{
"id": "mp-1185872",
"created_at": "2022-09-04T14:42:14.019840Z",
"structure_string": "Mg1 H3\n1.0\n0.000000 2.352592 2.352592\n2.352592 0.000000 2.352592\n2.352592 2.352592 0.000000\nMg H\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.742609729080745,
"density_atomic": 0.15359962240442576,
"volume": 26.041730685170915,
"volume_molar": 3.9206741955027624,
"formula_full": "Mg1 H3",
"formula_reduced": "MgH3",
"formula_anonymous": "AB3",
"energy": -10.98644388,
"energy_per_atom": -2.74661097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.44944388,
"band_gap": 0.4103999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.469000Z",
"spacegroup": 225
},
{
"id": "mp-1080483",
"created_at": "2022-09-04T14:41:11.965619Z",
"structure_string": "B2 C4 N2\n1.0\n2.537310 2.733162 0.000000\n-2.537310 2.733162 0.000000\n0.000000 0.361165 3.711425\nB C N\n2 4 2\ndirect\n0.756386 0.497483 0.861717 B\n0.502517 0.243614 0.138283 B\n0.506123 0.759737 0.616263 C\n0.000301 0.761044 0.142706 C\n0.238956 0.999699 0.857294 C\n0.240263 0.493877 0.383737 C\n0.050591 0.294191 0.667935 N\n0.705809 0.949409 0.332065 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1509183964939096,
"density_atomic": 0.15541051422747154,
"volume": 51.47656862064394,
"volume_molar": 3.8749892759414606,
"formula_full": "B2 C4 N2",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy": -65.55505635,
"energy_per_atom": -8.19438204375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.83305635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.313000Z",
"spacegroup": 5
},
{
"id": "mp-1078686",
"created_at": "2022-09-04T14:41:26.653489Z",
"structure_string": "H6 W2\n1.0\n3.130389 0.000000 0.000000\n0.000000 3.257655 0.000000\n0.000000 1.335853 5.042358\nH W\n6 2\ndirect\n0.750000 0.567966 0.603542 H\n0.250000 0.432034 0.396458 H\n0.750000 0.091434 0.357216 H\n0.250000 0.908566 0.642784 H\n0.250000 0.002435 0.151782 H\n0.750000 0.997565 0.848218 H\n0.250000 0.349900 0.811171 W\n0.750000 0.650100 0.188829 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"W"
],
"chemical_system": "H-W",
"density": 12.068887572702012,
"density_atomic": 0.1555796939280019,
"volume": 51.420592225243645,
"volume_molar": 3.8707755542872353,
"formula_full": "H6 W2",
"formula_reduced": "H3W",
"formula_anonymous": "AB3",
"energy": -45.23992248,
"energy_per_atom": -5.65499031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.16592248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.669000Z",
"spacegroup": 11
}
]
}