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=is_stable&page=11521",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=11519",
"results": [
{
"id": "mp-975308",
"created_at": "2022-09-04T14:42:49.956710Z",
"structure_string": "Rb1 Gd1 O3\n1.0\n4.472071 0.000000 0.000000\n0.000000 4.472071 0.000000\n0.000000 0.000000 4.472071\nRb Gd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Gd\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Gd",
"O"
],
"chemical_system": "Gd-O-Rb",
"density": 5.397491439003579,
"density_atomic": 0.05590413532073802,
"volume": 89.4388218566224,
"volume_molar": 10.772263492582894,
"formula_full": "Rb1 Gd1 O3",
"formula_reduced": "RbGdO3",
"formula_anonymous": "ABC3",
"energy": -41.44577402,
"energy_per_atom": -8.289154804,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.38477402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.003271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.532000Z",
"spacegroup": 221
},
{
"id": "mp-1028189",
"created_at": "2022-09-04T14:42:49.974273Z",
"structure_string": "Sr1 Ca1 Mg14\n1.0\n6.714534 0.000000 -0.000000\n-3.357267 5.814956 0.000000\n-0.000000 0.000000 10.578830\nSr Ca Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166667 0.333333 0.125000 Ca\n0.172276 0.836137 0.125000 Mg\n0.174645 0.837322 0.625000 Mg\n0.663863 0.327724 0.125000 Mg\n0.662678 0.325355 0.625000 Mg\n0.663863 0.836137 0.125000 Mg\n0.662678 0.837322 0.625000 Mg\n0.339932 0.160068 0.372039 Mg\n0.339932 0.160068 0.877961 Mg\n0.339932 0.679865 0.372039 Mg\n0.339932 0.679865 0.877961 Mg\n0.820135 0.160068 0.372039 Mg\n0.820135 0.160068 0.877961 Mg\n0.833333 0.666667 0.375776 Mg\n0.833333 0.666667 0.874224 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Sr",
"density": 1.8813314077044876,
"density_atomic": 0.03873646935626592,
"volume": 413.0474528498008,
"volume_molar": 15.54643688513102,
"formula_full": "Sr1 Ca1 Mg14",
"formula_reduced": "SrCaMg14",
"formula_anonymous": "ABC14",
"energy": -25.55039239,
"energy_per_atom": -1.596899524375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.55039239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.828000Z",
"spacegroup": 187
},
{
"id": "mp-1095484",
"created_at": "2022-09-04T14:42:49.978765Z",
"structure_string": "Pr2 Al8 Ni2\n1.0\n2.083358 -7.933242 0.000000\n2.083358 7.933242 0.000000\n0.000000 0.000000 6.571859\nPr Al Ni\n2 8 2\ndirect\n0.885592 0.114408 0.750000 Pr\n0.114408 0.885592 0.250000 Pr\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.077165 0.922835 0.750000 Al\n0.922835 0.077165 0.250000 Al\n0.691919 0.308081 0.947931 Al\n0.308081 0.691919 0.052069 Al\n0.691919 0.308081 0.552069 Al\n0.308081 0.691919 0.447931 Al\n0.223037 0.776963 0.750000 Ni\n0.776963 0.223037 0.250000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Pr",
"density": 4.701428044670715,
"density_atomic": 0.055239330497037865,
"volume": 217.23652137028495,
"volume_molar": 10.90190758253837,
"formula_full": "Pr2 Al8 Ni2",
"formula_reduced": "PrAl4Ni",
"formula_anonymous": "ABC4",
"energy": -57.56933664,
"energy_per_atom": -4.7974447200000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.56933664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0145302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.347000Z",
"spacegroup": 63
},
{
"id": "mp-1227211",
"created_at": "2022-09-04T14:42:49.947002Z",
"structure_string": "Ca2 Th2 P4 O16\n1.0\n6.436064 0.000000 0.000000\n1.582538 6.575200 0.000000\n0.122175 0.093245 6.973213\nCa Th P O\n2 2 4 16\ndirect\n0.911625 0.289309 0.349112 Ca\n0.088375 0.710691 0.650888 Ca\n0.387597 0.778231 0.168248 Th\n0.612403 0.221769 0.831752 Th\n0.390177 0.302682 0.333177 P\n0.883834 0.803731 0.160524 P\n0.609823 0.697318 0.666823 P\n0.116166 0.196269 0.839476 P\n0.201495 0.481331 0.382199 O\n0.686093 0.970973 0.092915 O\n0.798505 0.518669 0.617801 O\n0.313907 0.029027 0.907085 O\n0.296553 0.117672 0.292507 O\n0.774024 0.630668 0.218159 O\n0.703447 0.882328 0.707493 O\n0.225976 0.369332 0.781841 O\n0.940785 0.255695 0.997387 O\n0.436581 0.749384 0.510211 O\n0.059215 0.744305 0.002613 O\n0.563419 0.250616 0.489789 O\n0.500280 0.377796 0.152143 O\n0.999654 0.884739 0.324724 O\n0.499720 0.622204 0.847857 O\n0.000346 0.115261 0.675276 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Th",
"P",
"O"
],
"chemical_system": "Ca-O-P-Th",
"density": 5.200128449179725,
"density_atomic": 0.08132966605875737,
"volume": 295.09527289416116,
"volume_molar": 7.4046052957468795,
"formula_full": "Ca2 Th2 P4 O16",
"formula_reduced": "CaTh(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -201.74875079,
"energy_per_atom": -8.406197949583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.75675079,
"band_gap": 4.628500000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.655000Z",
"spacegroup": 2
},
{
"id": "mp-1274098",
"created_at": "2022-09-04T14:42:49.948351Z",
"structure_string": "V6 O10\n1.0\n0.000513 5.178214 0.000011\n3.392199 2.589430 -3.802603\n-6.689368 -0.000652 -2.405233\nV O\n6 10\ndirect\n0.501055 0.498388 0.499250 V\n0.129681 0.241090 0.777477 V\n0.129454 0.239222 0.281566 V\n0.499510 0.501577 0.000753 V\n0.868805 0.760735 0.218447 V\n0.870797 0.758917 0.722490 V\n0.702260 0.499984 0.749989 O\n0.300764 0.500042 0.250005 O\n0.145811 0.889872 0.669201 O\n0.465181 0.869534 0.157501 O\n0.834699 0.130412 0.342505 O\n0.535667 0.110228 0.830818 O\n0.073302 0.662359 0.933920 O\n0.772111 0.663021 0.453901 O\n0.935215 0.337011 0.046153 O\n0.235688 0.337609 0.566025 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.444691250883221,
"density_atomic": 0.09197279927088924,
"volume": 173.96447783300468,
"volume_molar": 6.547741079689088,
"formula_full": "V6 O10",
"formula_reduced": "V3O5",
"formula_anonymous": "A3B5",
"energy": -143.97106471,
"energy_per_atom": -8.998191544375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.90106471,
"band_gap": 0.2384000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.490000Z",
"spacegroup": 5
},
{
"id": "mp-978290",
"created_at": "2022-09-04T14:42:49.954178Z",
"structure_string": "Mg3 Os1\n1.0\n-2.117600 2.117600 3.855348\n2.117600 -2.117600 3.855348\n2.117600 2.117600 -3.855348\nMg Os\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Os"
],
"chemical_system": "Mg-Os",
"density": 6.318773477577429,
"density_atomic": 0.057842700147334954,
"volume": 69.15306494702592,
"volume_molar": 10.4112372774103,
"formula_full": "Mg3 Os1",
"formula_reduced": "Mg3Os",
"formula_anonymous": "AB3",
"energy": -15.37917012,
"energy_per_atom": -3.84479253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.37917012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.216000Z",
"spacegroup": 139
},
{
"id": "mp-644504",
"created_at": "2022-09-04T14:42:49.957327Z",
"structure_string": "Nd1 Mg2 Ag1\n1.0\n0.000000 3.596018 3.596018\n3.596018 0.000000 3.596018\n3.596018 3.596018 0.000000\nNd Mg Ag\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Nd",
"density": 5.3692809908425065,
"density_atomic": 0.04300950307697319,
"volume": 93.00270205031863,
"volume_molar": 14.001884070183985,
"formula_full": "Nd1 Mg2 Ag1",
"formula_reduced": "NdMg2Ag",
"formula_anonymous": "ABC2",
"energy": -11.27798477,
"energy_per_atom": -2.8194961925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.27798477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.342000Z",
"spacegroup": 225
},
{
"id": "mp-1185296",
"created_at": "2022-09-04T14:42:49.968186Z",
"structure_string": "Li6 Yb2\n1.0\n3.414469 -5.914034 0.000000\n3.414469 5.914034 0.000000\n0.000000 0.000000 5.250383\nLi Yb\n6 2\ndirect\n0.147486 0.294972 0.250000 Li\n0.705028 0.852514 0.250000 Li\n0.147486 0.852514 0.250000 Li\n0.852514 0.705028 0.750000 Li\n0.294972 0.147486 0.750000 Li\n0.852514 0.147486 0.750000 Li\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Yb"
],
"chemical_system": "Li-Yb",
"density": 3.0363095839740444,
"density_atomic": 0.03772784639038428,
"volume": 212.0449685153236,
"volume_molar": 15.962058098113088,
"formula_full": "Li6 Yb2",
"formula_reduced": "Li3Yb",
"formula_anonymous": "AB3",
"energy": -14.00007397,
"energy_per_atom": -1.75000924625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.00007397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.645000Z",
"spacegroup": 194
},
{
"id": "mp-1018639",
"created_at": "2022-09-04T14:42:49.970518Z",
"structure_string": "Ti1 Sn1 O3\n1.0\n3.950731 0.000000 0.000000\n0.000000 3.950731 0.000000\n0.000000 0.000000 3.950731\nTi Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.778248869345959,
"density_atomic": 0.08108445908366266,
"volume": 61.66409761506848,
"volume_molar": 7.4269975135264525,
"formula_full": "Ti1 Sn1 O3",
"formula_reduced": "TiSnO3",
"formula_anonymous": "ABC3",
"energy": -39.73189081,
"energy_per_atom": -7.946378162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.67089081,
"band_gap": 1.0452000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.954000Z",
"spacegroup": 221
},
{
"id": "mp-1041980",
"created_at": "2022-09-04T14:42:49.981730Z",
"structure_string": "Ni2 O4\n1.0\n1.456076 -2.521997 0.000000\n1.456076 2.521997 0.000000\n0.000000 0.000000 10.555270\nNi O\n2 4\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.589079 O\n0.333333 0.666667 0.910921 O\n0.666667 0.333333 0.410921 O\n0.666667 0.333333 0.089079 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 3.8852688702825566,
"density_atomic": 0.07739685232701421,
"volume": 77.52253250105095,
"volume_molar": 7.78086004655006,
"formula_full": "Ni2 O4",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy": -35.32339827,
"energy_per_atom": -5.887233044999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.49339827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0111254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.186000Z",
"spacegroup": 194
},
{
"id": "mp-756549",
"created_at": "2022-09-04T14:42:49.984019Z",
"structure_string": "Fe4 As8 O16\n1.0\n8.629065 0.000000 0.000000\n0.000000 8.629065 0.000000\n0.000000 0.000000 5.762310\nFe As O\n4 8 16\ndirect\n0.500000 0.000000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.000000 0.500000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.810065 0.175289 0.500000 As\n0.175289 0.189935 0.000000 As\n0.675289 0.310065 0.000000 As\n0.310065 0.324711 0.500000 As\n0.689935 0.675289 0.500000 As\n0.324711 0.689935 0.000000 As\n0.824711 0.810065 0.000000 As\n0.189935 0.824711 0.500000 As\n0.641931 0.109872 0.000000 O\n0.609872 0.141931 0.500000 O\n0.317172 0.182828 0.250000 O\n0.317172 0.182828 0.750000 O\n0.817172 0.317172 0.250000 O\n0.817172 0.317172 0.750000 O\n0.109872 0.358069 0.500000 O\n0.141931 0.390128 0.000000 O\n0.858069 0.609872 0.000000 O\n0.890128 0.641931 0.500000 O\n0.182828 0.682828 0.250000 O\n0.182828 0.682828 0.750000 O\n0.682828 0.817172 0.250000 O\n0.682828 0.817172 0.750000 O\n0.390128 0.858069 0.500000 O\n0.358069 0.890128 0.000000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 4.17487108049317,
"density_atomic": 0.06525802588490054,
"volume": 429.0659979415446,
"volume_molar": 9.228199410478041,
"formula_full": "Fe4 As8 O16",
"formula_reduced": "Fe(AsO2)2",
"formula_anonymous": "AB2C4",
"energy": -192.37498055,
"energy_per_atom": -6.870535019642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.35898055,
"band_gap": 2.4168000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9986904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.627000Z",
"spacegroup": 135
},
{
"id": "mp-22747",
"created_at": "2022-09-04T14:42:49.985690Z",
"structure_string": "Pb2 C4 O8\n1.0\n-5.728829 0.000000 0.000000\n2.399308 5.231876 0.000000\n-0.203941 -2.486308 -6.676365\nPb C O\n2 4 8\ndirect\n0.259013 0.108298 0.260685 Pb\n0.740987 0.891702 0.739315 Pb\n0.124421 0.624834 0.499646 C\n0.875579 0.375166 0.500354 C\n0.358473 0.456003 0.954979 C\n0.641527 0.543997 0.045021 C\n0.873480 0.142136 0.426733 O\n0.126520 0.857864 0.573267 O\n0.323033 0.591493 0.861112 O\n0.676967 0.408507 0.138888 O\n0.180768 0.249267 0.984457 O\n0.819232 0.750733 0.015543 O\n0.686384 0.417975 0.574885 O\n0.313616 0.582025 0.425115 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 4.899593217119712,
"density_atomic": 0.06996239409151499,
"volume": 200.1075032064678,
"volume_molar": 8.607682510296431,
"formula_full": "Pb2 C4 O8",
"formula_reduced": "Pb(CO2)2",
"formula_anonymous": "AB2C4",
"energy": -106.44503814,
"energy_per_atom": -7.60321701,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.94903814,
"band_gap": 2.7868000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.385000Z",
"spacegroup": 2
}
]
}