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=nsites&page=67",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=65",
"results": [
{
"id": "mp-1009131",
"created_at": "2022-09-04T14:47:56.902049Z",
"structure_string": "Mn1 As1\n1.0\n0.000000 2.844045 2.844045\n2.844045 0.000000 2.844045\n2.844045 2.844045 0.000000\nMn As\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 4.6868809452854014,
"density_atomic": 0.04347009694601356,
"volume": 46.00863905327478,
"volume_molar": 13.853525027742693,
"formula_full": "Mn1 As1",
"formula_reduced": "MnAs",
"formula_anonymous": "AB",
"energy": -13.47209557,
"energy_per_atom": -6.736047785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.47209557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8505385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.175000Z",
"spacegroup": 216
},
{
"id": "mp-1215900",
"created_at": "2022-09-04T14:47:57.225833Z",
"structure_string": "Y1 Ho1\n1.0\n1.804959 -3.126282 0.000000\n1.804959 3.126282 0.000000\n0.000000 0.000000 5.730850\nY Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 Ho\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ho"
],
"chemical_system": "Ho-Y",
"density": 6.517155379393671,
"density_atomic": 0.03092327390778304,
"volume": 64.67620491815462,
"volume_molar": 19.474460491986573,
"formula_full": "Y1 Ho1",
"formula_reduced": "YHo",
"formula_anonymous": "AB",
"energy": -11.02593796,
"energy_per_atom": -5.51296898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.02593796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9033875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.627000Z",
"spacegroup": 187
},
{
"id": "mp-1611",
"created_at": "2022-09-04T14:43:54.079774Z",
"structure_string": "Sm1 O1\n1.0\n0.000000 2.483223 2.483223\n2.483223 0.000000 2.483223\n2.483223 2.483223 0.000000\nSm O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"O"
],
"chemical_system": "O-Sm",
"density": 9.020264673656614,
"density_atomic": 0.0653059623633986,
"volume": 30.62507507156683,
"volume_molar": 9.221425643327127,
"formula_full": "Sm1 O1",
"formula_reduced": "SmO",
"formula_anonymous": "AB",
"energy": -15.88087739,
"energy_per_atom": -7.940438695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.19387739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.421000Z",
"spacegroup": 225
},
{
"id": "mp-684580",
"created_at": "2022-09-04T14:47:57.679058Z",
"structure_string": "Ag1 I1\n1.0\n-2.394580 2.394580 3.194773\n2.394580 -2.394580 3.194773\n2.394580 2.394580 -3.194773\nAg I\n1 1\ndirect\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.320322248904008,
"density_atomic": 0.027294258298916935,
"volume": 73.27548446624623,
"volume_molar": 22.063764085646408,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -5.29475304,
"energy_per_atom": -2.64737652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91575304,
"band_gap": 1.704,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.401000Z",
"spacegroup": 119
},
{
"id": "mp-2861",
"created_at": "2022-09-04T14:47:57.865609Z",
"structure_string": "Ca1 Tl1\n1.0\n3.907759 0.000000 0.000000\n0.000000 3.907759 0.000000\n0.000000 0.000000 3.907759\nCa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Tl"
],
"chemical_system": "Ca-Tl",
"density": 6.802615094864166,
"density_atomic": 0.03351557539089405,
"volume": 59.67374800145565,
"volume_molar": 17.968185507076733,
"formula_full": "Ca1 Tl1",
"formula_reduced": "CaTl",
"formula_anonymous": "AB",
"energy": -5.25902613,
"energy_per_atom": -2.629513065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.25902613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.701000Z",
"spacegroup": 221
},
{
"id": "mp-634105",
"created_at": "2022-09-04T14:47:58.631070Z",
"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 2.3314997790365335,
"density_atomic": 0.0347059280895231,
"volume": 57.62704270120794,
"volume_molar": 17.351908136460242,
"formula_full": "H1 Br1",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy": -5.44598591,
"energy_per_atom": -2.722992955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91198591,
"band_gap": 1.4833,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.148000Z",
"spacegroup": 69
},
{
"id": "mp-1216655",
"created_at": "2022-09-04T14:41:18.027667Z",
"structure_string": "Ti1 Mo1\n1.0\n-1.593572 -1.669071 1.669071\n-1.593572 1.669071 -1.669071\n0.000000 -3.005714 -3.005714\nTi Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Mo"
],
"chemical_system": "Mo-Ti",
"density": 7.467495622361011,
"density_atomic": 0.06254258802156028,
"volume": 31.978209780998206,
"volume_molar": 9.628864027698999,
"formula_full": "Ti1 Mo1",
"formula_reduced": "TiMo",
"formula_anonymous": "AB",
"energy": -18.91336914,
"energy_per_atom": -9.45668457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91336914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.843000Z",
"spacegroup": 65
},
{
"id": "mp-23156",
"created_at": "2022-09-04T14:43:56.764525Z",
"structure_string": "He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n",
"nsites": 2,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.46197547512238424,
"density_atomic": 0.0695068193094468,
"volume": 28.774155109816345,
"volume_molar": 8.664100616069366,
"formula_full": "He2",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.01417751,
"energy_per_atom": -0.007088755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.01417751,
"band_gap": 17.7675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.785000Z",
"spacegroup": 194
},
{
"id": "mp-20394",
"created_at": "2022-09-04T14:47:59.917960Z",
"structure_string": "Eu1 Pb1\n1.0\n4.146985 0.000000 0.000000\n0.000000 4.146985 0.000000\n0.000000 0.000000 3.678841\nEu Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"Pb"
],
"chemical_system": "Eu-Pb",
"density": 9.426835967375427,
"density_atomic": 0.03161215107114521,
"volume": 63.26681140738792,
"volume_molar": 19.050082186583186,
"formula_full": "Eu1 Pb1",
"formula_reduced": "EuPb",
"formula_anonymous": "AB",
"energy": -15.05798631,
"energy_per_atom": -7.528993155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.05798631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0214387,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.519000Z",
"spacegroup": 123
},
{
"id": "mp-20494",
"created_at": "2022-09-04T14:48:00.528754Z",
"structure_string": "La1 As1\n1.0\n3.901181 0.000000 0.000000\n0.000000 3.901181 0.000000\n0.000000 0.000000 3.388717\nLa As\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"As"
],
"chemical_system": "As-La",
"density": 6.884688263391021,
"density_atomic": 0.03877952574029899,
"volume": 51.57360647971091,
"volume_molar": 15.529175886083358,
"formula_full": "La1 As1",
"formula_reduced": "LaAs",
"formula_anonymous": "AB",
"energy": -11.98246296,
"energy_per_atom": -5.99123148,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.98246296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.409000Z",
"spacegroup": 123
},
{
"id": "mp-1009223",
"created_at": "2022-09-04T14:44:00.115091Z",
"structure_string": "Na1 As1\n1.0\n3.027872 0.000000 0.000000\n0.000000 3.027872 0.000000\n0.000000 0.000000 4.498391\nNa As\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"As"
],
"chemical_system": "As-Na",
"density": 3.9423029614432235,
"density_atomic": 0.04849509007005558,
"volume": 41.24128849149095,
"volume_molar": 12.418042220976329,
"formula_full": "Na1 As1",
"formula_reduced": "NaAs",
"formula_anonymous": "AB",
"energy": -6.45022287,
"energy_per_atom": -3.225111435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.45022287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.971000Z",
"spacegroup": 123
},
{
"id": "mp-8023",
"created_at": "2022-09-04T14:48:01.022642Z",
"structure_string": "Al1 O1\n1.0\n0.000000 2.238265 2.238265\n2.238265 0.000000 2.238265\n2.238265 2.238265 0.000000\nAl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.1824419169671163,
"density_atomic": 0.08917959363094626,
"volume": 22.426655230978525,
"volume_molar": 6.752823728847149,
"formula_full": "Al1 O1",
"formula_reduced": "AlO",
"formula_anonymous": "AB",
"energy": -11.79776811,
"energy_per_atom": -5.898884055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.11076811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029123,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.094000Z",
"spacegroup": 225
}
]
}