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=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12192",
"results": [
{
"id": "mp-1207362",
"created_at": "2022-09-04T14:40:29.685388Z",
"structure_string": "Tb2 Cu1 Sb3\n1.0\n12.549348 -0.000000 -0.000000\n-0.000000 12.549348 0.000000\n0.000000 0.000000 46.075159\nTb Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.247328 Tb\n0.500000 0.500000 0.752672 Tb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.695152 Sb\n0.500000 0.500000 0.304848 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Tb",
"density": 0.17087263981858097,
"density_atomic": 0.0008268792284874157,
"volume": 7256.1987207921675,
"volume_molar": 728.2975013190395,
"formula_full": "Tb2 Cu1 Sb3",
"formula_reduced": "Tb2CuSb3",
"formula_anonymous": "AB2C3",
"energy": -11.69805245,
"energy_per_atom": -1.9496754083333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12205245,
"band_gap": 0.1559999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9555679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.525000Z",
"spacegroup": 123
},
{
"id": "mp-1207329",
"created_at": "2022-09-04T14:44:12.837658Z",
"structure_string": "Ho2 Cu1 As3\n1.0\n12.924958 0.000000 -0.000000\n0.000000 12.924958 0.000000\n0.000000 0.000000 44.336875\nHo Cu As\n2 1 3\ndirect\n0.500000 0.500000 0.248965 Ho\n0.500000 0.500000 0.751035 Ho\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.696754 As\n0.500000 0.500000 0.303246 As\n0.500000 0.500000 -0.000000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"As"
],
"chemical_system": "As-Cu-Ho",
"density": 0.1385908867200144,
"density_atomic": 0.0008100799624481839,
"volume": 7406.676227204898,
"volume_molar": 743.4007800662273,
"formula_full": "Ho2 Cu1 As3",
"formula_reduced": "Ho2CuAs3",
"formula_anonymous": "AB2C3",
"energy": -12.622890950000002,
"energy_per_atom": -2.1038151583333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.622890950000002,
"band_gap": 0.1493999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9676264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.766000Z",
"spacegroup": 123
},
{
"id": "mp-1211390",
"created_at": "2022-09-04T14:40:35.488599Z",
"structure_string": "Te7 As6\n1.0\n-7.019378 -12.157919 0.000000\n-6.250076 11.713762 0.000000\n0.000000 0.000000 -104.178726\nTe As\n7 6\ndirect\n-0.000000 -0.000000 0.000000 Te\n-0.000000 -0.000000 0.790310 Te\n-0.000000 -0.000000 0.209690 Te\n0.777969 0.768457 0.000000 Te\n0.222031 0.231543 -0.000000 Te\n0.009512 0.231543 0.000000 Te\n0.990488 0.768457 -0.000000 Te\n-0.000000 -0.000000 0.599549 As\n-0.000000 -0.000000 0.400451 As\n0.576331 0.588672 0.000000 As\n0.423669 0.411328 -0.000000 As\n0.987659 0.411328 0.000000 As\n0.012341 0.588672 -0.000000 As\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Te",
"As"
],
"chemical_system": "As-Te",
"density": 0.13527616444486873,
"density_atomic": 0.0007887274811353404,
"volume": 16482.24552958018,
"volume_molar": 763.526174000097,
"formula_full": "Te7 As6",
"formula_reduced": "Te7As6",
"formula_anonymous": "A6B7",
"energy": -36.62877109,
"energy_per_atom": -2.817597776153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.67477109,
"band_gap": 0.2389999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9853768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.359000Z",
"spacegroup": 65
},
{
"id": "mp-1206823",
"created_at": "2022-09-04T14:48:27.758918Z",
"structure_string": "Pr1 I6\n1.0\n-7.296730 -12.638308 0.000000\n-4.396447 10.963828 0.000000\n0.000000 0.000000 -67.117820\nPr I\n1 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.750009 I\n0.000000 0.000000 0.249991 I\n0.740837 0.759248 -0.000000 I\n0.259163 0.240752 0.000000 I\n0.981590 0.240752 0.000000 I\n0.018410 0.759248 -0.000000 I\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 0.16467787298511544,
"density_atomic": 0.00076933704201895,
"volume": 9098.742966580801,
"volume_molar": 782.7701554829937,
"formula_full": "Pr1 I6",
"formula_reduced": "PrI6",
"formula_anonymous": "AB6",
"energy": -16.85712008,
"energy_per_atom": -2.4081600114285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.58312008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9692681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.900000Z",
"spacegroup": 65
},
{
"id": "mp-1172894",
"created_at": "2022-09-04T14:46:27.249595Z",
"structure_string": "Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 0.07632930061378769,
"density_atomic": 0.0007681409603742695,
"volume": 7811.066340058934,
"volume_molar": 783.9890164255487,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy": -4.82832814,
"energy_per_atom": -0.8047213566666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.82832814,
"band_gap": 0.1720999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0008309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.169000Z",
"spacegroup": 194
},
{
"id": "mp-1247841",
"created_at": "2022-09-04T14:42:17.093134Z",
"structure_string": "Ag7 P1 Se6\n1.0\n24.171598 2.679475 17.301880\n10.311375 23.984696 17.947361\n0.412701 0.987343 33.999971\nAg P Se\n7 1 6\ndirect\n0.270281 0.791274 0.270491 Ag\n0.540907 0.266101 0.266115 Ag\n0.369748 0.370207 0.890052 Ag\n0.541464 0.926404 0.266061 Ag\n0.805903 0.654339 0.269851 Ag\n0.926712 0.266498 0.540676 Ag\n0.911855 0.555138 0.266673 Ag\n0.750023 0.750247 0.749874 P\n0.311105 0.229750 0.229705 Se\n0.500020 0.500281 0.499904 Se\n0.394980 0.868361 0.868334 Se\n0.868426 0.868233 0.394642 Se\n0.868447 0.394406 0.868555 Se\n0.868329 0.867962 0.868666 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-P-Se",
"density": 0.11388907750999028,
"density_atomic": 0.0007621765129591865,
"volume": 18368.44846562424,
"volume_molar": 790.1241585913941,
"formula_full": "Ag7 P1 Se6",
"formula_reduced": "Ag7PSe6",
"formula_anonymous": "AB6C7",
"energy": -14.18568429,
"energy_per_atom": -1.0132631635714284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.35368429,
"band_gap": 0.0606999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.8224307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.690000Z",
"spacegroup": 1
},
{
"id": "mp-1172913",
"created_at": "2022-09-04T14:39:41.450046Z",
"structure_string": "Lu1 Mn6 Sn6\n1.0\n23.209645 -0.000000 -0.000000\n-11.604823 20.100142 -0.000000\n-0.000000 0.000000 36.867203\nLu Mn Sn\n1 6 6\ndirect\n0.000000 -0.000000 0.000000 Lu\n0.500000 -0.000000 0.127991 Mn\n0.000000 0.500000 0.872009 Mn\n0.500000 -0.000000 0.872009 Mn\n0.500000 0.500000 0.872009 Mn\n0.500000 0.500000 0.127991 Mn\n0.000000 0.500000 0.127991 Mn\n0.000000 -0.000000 0.917947 Sn\n0.000000 -0.000000 0.082053 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"Sn"
],
"chemical_system": "Lu-Mn-Sn",
"density": 0.11748440212423264,
"density_atomic": 0.0007558498629203397,
"volume": 17199.18285064251,
"volume_molar": 796.7376929503636,
"formula_full": "Lu1 Mn6 Sn6",
"formula_reduced": "Lu(MnSn)6",
"formula_anonymous": "AB6C6",
"energy": -41.29594894,
"energy_per_atom": -3.176611456923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.29594894,
"band_gap": 0.3213000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 43.0134627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.595000Z",
"spacegroup": 191
},
{
"id": "mp-1100910",
"created_at": "2022-09-04T14:40:28.511899Z",
"structure_string": "V1 Sb1 O4\n1.0\n17.055095 0.000000 0.000000\n0.000000 21.753393 -0.747776\n0.000000 -0.747776 21.753393\nV Sb O\n1 1 4\ndirect\n-0.000000 -0.000000 -0.000000 V\n0.500000 0.500000 0.500000 Sb\n-0.000000 0.368623 0.368623 O\n0.500000 0.559180 0.440820 O\n0.500000 0.440820 0.559180 O\n-0.000000 0.631377 0.631377 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 0.048758578644010925,
"density_atomic": 0.0007443146778840383,
"volume": 8061.106650559402,
"volume_molar": 809.0853155173476,
"formula_full": "V1 Sb1 O4",
"formula_reduced": "VSbO4",
"formula_anonymous": "ABC4",
"energy": -24.891786340000003,
"energy_per_atom": -4.148631056666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.44378634,
"band_gap": 0.0379000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.369285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.391000Z",
"spacegroup": 65
},
{
"id": "mp-1207368",
"created_at": "2022-09-04T14:41:50.995056Z",
"structure_string": "Sm2 Sb3 Pd1\n1.0\n15.093568 -0.000000 0.000000\n-0.000000 15.093568 0.000000\n-0.000000 0.000000 35.471372\nSm Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.236864 Sm\n0.500000 0.500000 0.763136 Sm\n0.500000 0.500000 0.687339 Sb\n0.500000 0.500000 0.312661 Sb\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Sm",
"density": 0.15872333844385297,
"density_atomic": 0.0007424879881434904,
"volume": 8080.9388108787325,
"volume_molar": 811.0758498676457,
"formula_full": "Sm2 Sb3 Pd1",
"formula_reduced": "Sm2Sb3Pd",
"formula_anonymous": "AB2C3",
"energy": -13.11962964,
"energy_per_atom": -2.18660494,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.54362964,
"band_gap": 0.1482000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9011063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.039000Z",
"spacegroup": 123
},
{
"id": "mp-1212550",
"created_at": "2022-09-04T14:44:18.437818Z",
"structure_string": "Sc3 Sb2\n1.0\n12.840597 0.000000 0.000000\n0.000000 12.840597 -0.000000\n0.000000 -0.000000 41.961660\nSc Sb\n3 2\ndirect\n0.500000 0.500000 -0.000000 Sc\n0.500000 0.500000 0.657530 Sc\n0.500000 0.500000 0.342470 Sc\n0.500000 0.500000 0.282933 Sb\n0.500000 0.500000 0.717067 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"Sb"
],
"chemical_system": "Sb-Sc",
"density": 0.09081614378619295,
"density_atomic": 0.0007226814578232693,
"volume": 6918.677580382508,
"volume_molar": 833.3050052423935,
"formula_full": "Sc3 Sb2",
"formula_reduced": "Sc3Sb2",
"formula_anonymous": "A2B3",
"energy": -15.079598270000002,
"energy_per_atom": -3.015919654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.695598269999998,
"band_gap": 0.125,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.9793064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.774000Z",
"spacegroup": 123
},
{
"id": "mp-1207331",
"created_at": "2022-09-04T14:48:19.269942Z",
"structure_string": "Tb2 Se2 I2\n1.0\n12.167791 -0.000000 0.000000\n-0.000000 15.962122 0.000000\n0.000000 0.000000 42.796408\nTb Se I\n2 2 2\ndirect\n0.500000 0.500000 0.113811 Tb\n0.500000 0.500000 0.886189 Tb\n0.500000 0.500000 0.670433 Se\n0.500000 0.500000 0.329567 Se\n0.500000 0.500000 0.049366 I\n0.500000 0.500000 0.950634 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Se",
"I"
],
"chemical_system": "I-Se-Tb",
"density": 0.14575119252693083,
"density_atomic": 0.0007218410296962484,
"volume": 8312.079465093315,
"volume_molar": 834.275209118291,
"formula_full": "Tb2 Se2 I2",
"formula_reduced": "TbSeI",
"formula_anonymous": "ABC",
"energy": -13.009646189999998,
"energy_per_atom": -2.168274365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.30764619,
"band_gap": 0.0781999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.7144899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.775000Z",
"spacegroup": 47
},
{
"id": "mp-1212332",
"created_at": "2022-09-04T14:39:41.880222Z",
"structure_string": "In1 Sb2\n1.0\n15.710309 0.000000 0.000000\n0.000000 16.547481 0.000000\n0.000000 0.000000 16.636454\nIn Sb\n1 2\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.837010 0.500000 Sb\n0.500000 0.162990 0.500000 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 0.13758293859148263,
"density_atomic": 0.0006936555620604051,
"volume": 4324.913060725596,
"volume_molar": 868.1745075483988,
"formula_full": "In1 Sb2",
"formula_reduced": "InSb2",
"formula_anonymous": "AB2",
"energy": -7.0361136900000005,
"energy_per_atom": -2.34537123,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65211369,
"band_gap": 0.0026999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9927222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.181000Z",
"spacegroup": 47
}
]
}