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=formation_energy_per_atom&page=11553",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=11551",
"results": [
{
"id": "mp-1111417",
"created_at": "2022-09-04T14:47:15.413237Z",
"structure_string": "K2 Tl1 Ru1 F6\n1.0\n0.000000 4.624529 4.624529\n4.624529 0.000000 4.624529\n4.624529 4.624529 0.000000\nK Tl Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ru\n0.219013 0.219013 0.780987 F\n0.219013 0.780987 0.780987 F\n0.780987 0.780987 0.219013 F\n0.219013 0.780987 0.219013 F\n0.780987 0.219013 0.780987 F\n0.780987 0.219013 0.219013 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ru",
"F"
],
"chemical_system": "F-K-Ru-Tl",
"density": 4.177650844611595,
"density_atomic": 0.0505553920581082,
"volume": 197.80283749962877,
"volume_molar": 11.91196530150171,
"formula_full": "K2 Tl1 Ru1 F6",
"formula_reduced": "K2TlRuF6",
"formula_anonymous": "ABC2D6",
"energy": -48.87528153,
"energy_per_atom": -4.887528153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.10328152999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.740000Z",
"spacegroup": 225
},
{
"id": "mp-1061865",
"created_at": "2022-09-04T14:47:15.422524Z",
"structure_string": "Te1 N2\n1.0\n0.000000 2.639461 2.639461\n2.639461 0.000000 2.639461\n2.639461 2.639461 0.000000\nTe N\n1 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"N"
],
"chemical_system": "N-Te",
"density": 7.026197373738366,
"density_atomic": 0.08157282651780083,
"volume": 36.776952915139454,
"volume_molar": 7.382532905962071,
"formula_full": "Te1 N2",
"formula_reduced": "TeN2",
"formula_anonymous": "AB2",
"energy": -15.25015299,
"energy_per_atom": -5.08338433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.52815299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.464000Z",
"spacegroup": 225
},
{
"id": "mp-1180547",
"created_at": "2022-09-04T14:47:15.439728Z",
"structure_string": "Li2 Al2 H8\n1.0\n5.213270 3.200271 0.000000\n-5.213270 3.200271 0.000000\n0.000000 3.141976 3.247451\nLi Al H\n2 2 8\ndirect\n0.638653 0.361347 0.250000 Li\n0.361347 0.638653 0.750000 Li\n0.123495 0.876505 0.250000 Al\n0.876505 0.123495 0.750000 Al\n0.378702 0.963935 0.825198 H\n0.621298 0.036065 0.174802 H\n0.963935 0.378702 0.325198 H\n0.036065 0.621298 0.674802 H\n0.208696 0.298683 0.682020 H\n0.791304 0.701317 0.317980 H\n0.298683 0.208696 0.182020 H\n0.701317 0.791304 0.817980 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Al",
"H"
],
"chemical_system": "Al-H-Li",
"density": 1.163243103888017,
"density_atomic": 0.11074182325372432,
"volume": 108.36014477119811,
"volume_molar": 5.438000371551109,
"formula_full": "Li2 Al2 H8",
"formula_reduced": "LiAlH4",
"formula_anonymous": "ABC4",
"energy": -41.44831827,
"energy_per_atom": -3.4540265225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.01631827,
"band_gap": 3.9309,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002459,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.565000Z",
"spacegroup": 15
},
{
"id": "mp-1202770",
"created_at": "2022-09-04T14:47:15.226275Z",
"structure_string": "Rb3 Mo10 O30\n1.0\n0.000000 -7.704706 0.000000\n-8.350642 3.852353 4.640837\n0.090501 0.000000 -10.357228\nRb Mo O\n3 10 30\ndirect\n0.500000 0.000000 0.500000 Rb\n0.816378 0.632756 0.282193 Rb\n0.183622 0.367244 0.717807 Rb\n0.223036 0.446072 0.172395 Mo\n0.776964 0.553928 0.827605 Mo\n0.821639 0.155712 0.959580 Mo\n0.334073 0.155712 0.959580 Mo\n0.178361 0.844288 0.040420 Mo\n0.665927 0.844288 0.040420 Mo\n0.610765 0.720695 0.656983 Mo\n0.109930 0.720695 0.656983 Mo\n0.389235 0.279305 0.343017 Mo\n0.890070 0.279305 0.343017 Mo\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.248021 0.496041 0.032013 O\n0.751979 0.503959 0.967987 O\n0.314983 0.629967 0.335126 O\n0.685017 0.370033 0.664874 O\n0.578165 0.156331 0.989871 O\n0.421835 0.843669 0.010129 O\n0.088247 0.176493 0.991882 O\n0.911753 0.823507 0.008118 O\n0.844449 0.688897 0.688566 O\n0.155551 0.311103 0.311434 O\n0.357655 0.715310 0.671367 O\n0.642345 0.284690 0.328633 O\n0.838662 0.196648 0.814761 O\n0.357985 0.196648 0.814761 O\n0.161338 0.803352 0.185239 O\n0.642015 0.803352 0.185239 O\n0.942094 0.367759 0.161489 O\n0.425666 0.367759 0.161489 O\n0.057906 0.632241 0.838511 O\n0.574334 0.632241 0.838511 O\n0.689251 0.818563 0.556439 O\n0.129312 0.818563 0.556439 O\n0.310749 0.181437 0.443561 O\n0.870688 0.181437 0.443561 O\n0.714976 0.920147 0.854673 O\n0.205171 0.920147 0.854673 O\n0.285024 0.079853 0.145327 O\n0.794829 0.079853 0.145327 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Rb",
"density": 4.246338624478815,
"density_atomic": 0.06484299862253529,
"volume": 663.1402142629466,
"volume_molar": 9.287264450948895,
"formula_full": "Rb3 Mo10 O30",
"formula_reduced": "Rb3(MoO3)10",
"formula_anonymous": "A3B10C30",
"energy": -346.27545258,
"energy_per_atom": -8.052917501860465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.64545258,
"band_gap": 0.0293999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0022356,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.496000Z",
"spacegroup": 12
},
{
"id": "mp-568942",
"created_at": "2022-09-04T14:47:15.230936Z",
"structure_string": "Lu10 Ni2 Pb6\n1.0\n4.499611 -7.793555 0.000000\n4.499611 7.793555 0.000000\n0.000000 0.000000 6.564487\nLu Ni Pb\n10 2 6\ndirect\n0.235668 0.000000 0.250000 Lu\n0.764332 0.000000 0.750000 Lu\n0.000000 0.235668 0.250000 Lu\n0.333333 0.666667 0.500000 Lu\n0.666667 0.333333 0.500000 Lu\n0.666667 0.333333 0.000000 Lu\n0.000000 0.764332 0.750000 Lu\n0.235668 0.235668 0.750000 Lu\n0.333333 0.666667 0.000000 Lu\n0.764332 0.764332 0.250000 Lu\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.400287 0.000000 0.750000 Pb\n0.000000 0.400287 0.750000 Pb\n0.400287 0.400287 0.250000 Pb\n0.599713 0.000000 0.250000 Pb\n0.000000 0.599713 0.250000 Pb\n0.599713 0.599713 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Pb"
],
"chemical_system": "Lu-Ni-Pb",
"density": 11.217704177520211,
"density_atomic": 0.03909589344903671,
"volume": 460.40641131437053,
"volume_molar": 15.403512309675532,
"formula_full": "Lu10 Ni2 Pb6",
"formula_reduced": "Lu5NiPb3",
"formula_anonymous": "AB3C5",
"energy": -87.67924002000001,
"energy_per_atom": -4.87106889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.67924002000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001072,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.709000Z",
"spacegroup": 193
},
{
"id": "mp-999516",
"created_at": "2022-09-04T14:47:15.233580Z",
"structure_string": "Mn2 P2\n1.0\n1.669674 -2.891961 0.000000\n1.669674 2.891961 0.000000\n0.000000 0.000000 5.369199\nMn P\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 5.502604946407336,
"density_atomic": 0.07714297417906442,
"volume": 51.851773185659034,
"volume_molar": 7.806466919490809,
"formula_full": "Mn2 P2",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy": -30.98540637,
"energy_per_atom": -7.7463515925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.98540637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.875442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.676000Z",
"spacegroup": 194
},
{
"id": "mp-1228824",
"created_at": "2022-09-04T14:47:15.237830Z",
"structure_string": "Al1 Zn1 Ga1 S4\n1.0\n5.374074 0.000000 0.000000\n0.000000 5.374074 0.000000\n2.687038 2.687038 5.222091\nAl Zn Ga S\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Ga\n0.873369 0.387793 0.743727 S\n0.382904 0.868480 0.743727 S\n0.612207 0.617096 0.256273 S\n0.131520 0.126631 0.256273 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Al",
"Zn",
"Ga",
"S"
],
"chemical_system": "Al-Ga-S-Zn",
"density": 3.197086704335698,
"density_atomic": 0.046413713792381094,
"volume": 150.8174939698332,
"volume_molar": 12.974916825096953,
"formula_full": "Al1 Zn1 Ga1 S4",
"formula_reduced": "AlZnGaS4",
"formula_anonymous": "ABCD4",
"energy": -32.67484348,
"energy_per_atom": -4.667834782857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.66284348,
"band_gap": 2.7802,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.199000Z",
"spacegroup": 82
},
{
"id": "mp-753565",
"created_at": "2022-09-04T14:47:15.243370Z",
"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.874834 0.000000 0.000000\n-0.104448 5.903803 0.000000\n-2.856721 -2.975821 4.225533\nLi Ti V O\n1 4 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.224242 0.229267 0.015651 O\n0.300000 0.762296 0.488004 O\n0.251977 0.250990 0.500568 O\n0.245338 0.744954 0.003549 O\n0.754662 0.255046 0.996451 O\n0.748023 0.749010 0.499432 O\n0.700000 0.237704 0.511996 O\n0.775758 0.770733 0.984349 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.275427517294514,
"density_atomic": 0.09552544750903914,
"volume": 146.5578059571534,
"volume_molar": 6.304226692505316,
"formula_full": "Li1 Ti4 V1 O8",
"formula_reduced": "LiTi4VO8",
"formula_anonymous": "ABC4D8",
"energy": -122.7228968,
"energy_per_atom": -8.7659212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.5268968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1374062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.046000Z",
"spacegroup": 2
},
{
"id": "mp-1216552",
"created_at": "2022-09-04T14:47:15.244992Z",
"structure_string": "U1 Si2 Ru1 Rh1\n1.0\n-2.049874 2.049874 4.928986\n2.049874 -2.049874 4.928986\n2.049874 2.049874 -4.928986\nU Si Ru Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.621712 0.621712 0.000000 Si\n0.378288 0.378288 0.000000 Si\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 4,
"elements": [
"U",
"Si",
"Ru",
"Rh"
],
"chemical_system": "Rh-Ru-Si-U",
"density": 9.985262223746913,
"density_atomic": 0.060352893228607055,
"volume": 82.84606971633993,
"volume_molar": 9.978213864891446,
"formula_full": "U1 Si2 Ru1 Rh1",
"formula_reduced": "USi2RuRh",
"formula_anonymous": "ABCD2",
"energy": -42.39622678,
"energy_per_atom": -8.479245356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.53822678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8985651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.643000Z",
"spacegroup": 119
},
{
"id": "mp-1093908",
"created_at": "2022-09-04T14:47:15.257543Z",
"structure_string": "Zr2 Cd1 Hg1\n1.0\n-5.881318 5.980706 8.552660\n5.881318 -5.980706 8.552660\n5.881318 5.980706 -8.552660\nZr Cd Hg\n2 1 1\ndirect\n0.000000 0.252824 0.252824 Zr\n0.000000 0.747176 0.747176 Zr\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Zr",
"density": 0.6836908045183916,
"density_atomic": 0.003324081600770406,
"volume": 1203.3398936635429,
"volume_molar": 181.1670555441322,
"formula_full": "Zr2 Cd1 Hg1",
"formula_reduced": "Zr2CdHg",
"formula_anonymous": "ABC2",
"energy": -7.81203408,
"energy_per_atom": -1.95300852,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.81203408,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5491912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.509000Z",
"spacegroup": 71
},
{
"id": "mp-1073998",
"created_at": "2022-09-04T14:47:15.268145Z",
"structure_string": "Mg12 Si10\n1.0\n4.865258 0.000000 0.000000\n0.774797 5.952462 0.000000\n0.907085 1.173853 14.160739\nMg Si\n12 10\ndirect\n0.120351 0.232531 0.975833 Mg\n0.823568 0.049116 0.512611 Mg\n0.225834 0.666684 0.611004 Mg\n0.946063 0.796287 0.342051 Mg\n0.057063 0.548221 0.171343 Mg\n0.642545 0.091957 0.859339 Mg\n0.280203 0.161150 0.637868 Mg\n0.301419 0.362683 0.424718 Mg\n0.591153 0.378870 0.079159 Mg\n0.641966 0.589091 0.874840 Mg\n0.095179 0.738837 0.974888 Mg\n0.544305 0.884726 0.086826 Mg\n0.405424 0.866211 0.433294 Si\n0.743462 0.515690 0.524287 Si\n0.172969 0.853774 0.787988 Si\n0.428771 0.090499 0.261585 Si\n0.839396 0.272063 0.313886 Si\n0.738641 0.420900 0.699457 Si\n0.186747 0.432141 0.792266 Si\n0.510931 0.625764 0.268778 Si\n0.992397 0.072477 0.167034 Si\n0.715049 0.846658 0.697355 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.31818206718428,
"density_atomic": 0.053645618342881944,
"volume": 410.09873088580224,
"volume_molar": 11.225783104053003,
"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
"energy": -69.48643671,
"energy_per_atom": -3.1584743959090913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.19643671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.719000Z",
"spacegroup": 1
},
{
"id": "mp-755469",
"created_at": "2022-09-04T14:47:15.271140Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.793784 0.000000 0.000000\n0.228695 5.723376 0.000000\n0.139724 0.612117 7.811469\nFe O F\n6 5 7\ndirect\n0.496398 0.168744 0.335963 Fe\n0.471762 0.487431 0.999923 Fe\n0.546784 0.836423 0.659386 Fe\n0.010432 0.660504 0.327355 Fe\n0.930060 0.333517 0.671658 Fe\n0.039812 0.017236 0.008122 Fe\n0.807418 0.628710 0.564145 O\n0.801322 0.290494 0.904169 O\n0.692731 0.126415 0.555373 O\n0.302746 0.209058 0.116897 O\n0.200396 0.712952 0.087507 O\n0.793681 0.974332 0.224482 F\n0.692471 0.794191 0.896378 F\n0.686239 0.460424 0.233870 F\n0.310410 0.872932 0.437366 F\n0.312828 0.541382 0.761337 F\n0.203069 0.033509 0.763403 F\n0.201441 0.351745 0.452668 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.246297717168534,
"density_atomic": 0.08398641661230667,
"volume": 214.32037138922806,
"volume_molar": 7.170374690230045,
"formula_full": "Fe6 O5 F7",
"formula_reduced": "Fe6O5F7",
"formula_anonymous": "A5B6C7",
"energy": -126.61192394,
"energy_per_atom": -7.033995774444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.40692394,
"band_gap": 0.8984999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.0093888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.300000Z",
"spacegroup": 1
}
]
}