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=formula_anonymous&page=10392",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10390",
"results": [
{
"id": "mp-989628",
"created_at": "2022-09-04T14:46:08.393502Z",
"structure_string": "Y4 Re4 N12\n1.0\n4.874402 5.615968 0.000000\n-4.874402 5.615968 0.000000\n0.000000 2.516509 5.813470\nY Re N\n4 4 12\ndirect\n0.905614 0.094386 0.750000 Y\n0.094386 0.905614 0.250000 Y\n0.711316 0.288684 0.250000 Y\n0.288684 0.711316 0.750000 Y\n0.623307 0.794352 0.284621 Re\n0.205648 0.376693 0.215379 Re\n0.376693 0.205648 0.715379 Re\n0.794352 0.623307 0.784621 Re\n0.669342 0.636476 0.087327 N\n0.374321 0.867472 0.340982 N\n0.363524 0.330658 0.412673 N\n0.132528 0.625679 0.159018 N\n0.007121 0.219434 0.336632 N\n0.780566 0.992879 0.163368 N\n0.219434 0.007121 0.836632 N\n0.625679 0.132528 0.659018 N\n0.330658 0.363524 0.912673 N\n0.867472 0.374321 0.840982 N\n0.636476 0.669342 0.587327 N\n0.992879 0.780566 0.663368 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Re",
"N"
],
"chemical_system": "N-Re-Y",
"density": 6.618187348579105,
"density_atomic": 0.06283745634593918,
"volume": 318.28150219661916,
"volume_molar": 9.58368003766145,
"formula_full": "Y4 Re4 N12",
"formula_reduced": "YReN3",
"formula_anonymous": "ABC3",
"energy": -193.26581772,
"energy_per_atom": -9.663290886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.93381772,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0259579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.769000Z",
"spacegroup": 15
},
{
"id": "mp-1206304",
"created_at": "2022-09-04T14:46:03.799311Z",
"structure_string": "Pr2 Ti2 Ge6\n1.0\n0.000000 0.000000 -5.934020\n-3.149039 -5.454295 0.000000\n-3.149039 5.454295 0.000000\nPr Ti Ge\n2 2 6\ndirect\n0.250000 0.666667 0.333333 Pr\n0.750000 0.333333 0.666667 Pr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.750000 0.803102 0.196898 Ge\n0.250000 0.196898 0.803102 Ge\n0.750000 0.393795 0.196898 Ge\n0.250000 0.606205 0.803102 Ge\n0.750000 0.803102 0.606205 Ge\n0.250000 0.196898 0.393795 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ti",
"Ge"
],
"chemical_system": "Ge-Pr-Ti",
"density": 6.626006970273571,
"density_atomic": 0.049057378386362,
"volume": 203.84293512879626,
"volume_molar": 12.275708482771599,
"formula_full": "Pr2 Ti2 Ge6",
"formula_reduced": "PrTiGe3",
"formula_anonymous": "ABC3",
"energy": -59.64108153,
"energy_per_atom": -5.964108153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.64108153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.437000Z",
"spacegroup": 194
},
{
"id": "mp-1207180",
"created_at": "2022-09-04T14:46:08.406751Z",
"structure_string": "Ho1 Sb1 O3\n1.0\n4.246295 0.000000 0.000000\n0.000000 4.246295 0.000000\n0.000000 0.000000 4.246295\nHo Sb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Sb",
"O"
],
"chemical_system": "Ho-O-Sb",
"density": 7.258709678135883,
"density_atomic": 0.06530395998167916,
"volume": 76.56503528121013,
"volume_molar": 9.221708395156272,
"formula_full": "Ho1 Sb1 O3",
"formula_reduced": "HoSbO3",
"formula_anonymous": "ABC3",
"energy": -32.88912529,
"energy_per_atom": -6.577825058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.82812529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.311000Z",
"spacegroup": 221
},
{
"id": "mp-696822",
"created_at": "2022-09-04T14:46:07.811312Z",
"structure_string": "Li2 N2 O6\n1.0\n3.531945 3.727845 0.000000\n-3.531945 3.727845 0.000000\n0.000000 1.823372 3.504145\nLi N O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.230386 0.769614 0.250000 N\n0.769614 0.230386 0.750000 N\n0.952749 0.626517 0.961085 O\n0.393076 0.606924 0.250000 O\n0.373483 0.047251 0.538915 O\n0.047251 0.373483 0.038915 O\n0.606924 0.393076 0.750000 O\n0.626517 0.952749 0.461085 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"N",
"O"
],
"chemical_system": "Li-N-O",
"density": 2.4814395233701685,
"density_atomic": 0.10837176759115952,
"volume": 92.27495520536065,
"volume_molar": 5.556927688693766,
"formula_full": "Li2 N2 O6",
"formula_reduced": "LiNO3",
"formula_anonymous": "ABC3",
"energy": -53.06114126,
"energy_per_atom": -5.306114126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.095141260000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.985000Z",
"spacegroup": 15
},
{
"id": "mp-31220",
"created_at": "2022-09-04T14:46:01.316454Z",
"structure_string": "Al2 Si2 Te6\n1.0\n3.456401 -5.986663 0.000000\n3.456401 5.986663 0.000000\n0.000000 0.000000 7.684091\nAl Si Te\n2 2 6\ndirect\n0.666667 0.333333 0.500000 Al\n0.333333 0.666667 0.500000 Al\n0.000000 0.000000 0.350431 Si\n0.000000 0.000000 0.649569 Si\n0.000000 0.644511 0.732143 Te\n0.355489 0.355489 0.732143 Te\n0.644511 0.000000 0.732143 Te\n0.644511 0.644511 0.267857 Te\n0.000000 0.355489 0.267857 Te\n0.355489 0.000000 0.267857 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Si",
"Te"
],
"chemical_system": "Al-Si-Te",
"density": 4.5728811935382785,
"density_atomic": 0.03144622888698187,
"volume": 318.0031550345869,
"volume_molar": 19.150597617423845,
"formula_full": "Al2 Si2 Te6",
"formula_reduced": "AlSiTe3",
"formula_anonymous": "ABC3",
"energy": -42.41363495,
"energy_per_atom": -4.241363495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.88163495,
"band_gap": 1.2504,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.555000Z",
"spacegroup": 162
},
{
"id": "mp-1184597",
"created_at": "2022-09-04T14:46:00.692384Z",
"structure_string": "Hf1 Th1 O3\n1.0\n4.120356 0.000000 0.000000\n0.000000 4.120356 0.000000\n0.000000 0.000000 4.120356\nHf Th O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Th",
"O"
],
"chemical_system": "Hf-O-Th",
"density": 10.884515143589413,
"density_atomic": 0.07147691205482874,
"volume": 69.95265822570208,
"volume_molar": 8.425295087426996,
"formula_full": "Hf1 Th1 O3",
"formula_reduced": "HfThO3",
"formula_anonymous": "ABC3",
"energy": -48.00594975,
"energy_per_atom": -9.60118995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.94494975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0307366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.013000Z",
"spacegroup": 221
},
{
"id": "mp-1105457",
"created_at": "2022-09-04T14:45:54.014607Z",
"structure_string": "Tl4 Cu4 Cl12\n1.0\n-4.124347 0.000000 0.598226\n0.320206 0.000000 -9.199642\n0.000000 -14.180371 0.000000\nTl Cu Cl\n4 4 12\ndirect\n0.244493 0.946781 0.667676 Tl\n0.755507 0.553219 0.167676 Tl\n0.755507 0.053219 0.332324 Tl\n0.244493 0.446781 0.832324 Tl\n0.754620 0.350112 0.548318 Cu\n0.245380 0.149888 0.048318 Cu\n0.245380 0.649888 0.451682 Cu\n0.754620 0.850112 0.951682 Cu\n0.719407 0.244064 0.693196 Cl\n0.280593 0.255936 0.193196 Cl\n0.280593 0.755936 0.306804 Cl\n0.719407 0.744064 0.806804 Cl\n0.316538 0.179896 0.492451 Cl\n0.683462 0.320104 0.992451 Cl\n0.683462 0.820104 0.507549 Cl\n0.316538 0.679896 0.007549 Cl\n0.187376 0.530515 0.594827 Cl\n0.812624 0.969485 0.094827 Cl\n0.812624 0.469485 0.405173 Cl\n0.187376 0.030515 0.905173 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Tl",
"density": 4.644080541574245,
"density_atomic": 0.037360647837244756,
"volume": 535.3226230745935,
"volume_molar": 16.118940940838133,
"formula_full": "Tl4 Cu4 Cl12",
"formula_reduced": "TlCuCl3",
"formula_anonymous": "ABC3",
"energy": -69.64556691,
"energy_per_atom": -3.4822783455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.27756691,
"band_gap": 0.4143000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0023239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.283000Z",
"spacegroup": 14
},
{
"id": "mp-642690",
"created_at": "2022-09-04T14:46:00.759882Z",
"structure_string": "Cs1 Ge1 I3\n1.0\n4.513325 4.334603 0.000000\n-4.513325 4.334603 0.000000\n0.000000 0.214729 5.984777\nCs Ge I\n1 1 3\ndirect\n0.084652 0.084652 0.583760 Cs\n0.629047 0.629047 0.116469 Ge\n0.570202 0.570202 0.592011 I\n0.620903 0.071196 0.097880 I\n0.071196 0.620903 0.097880 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Ge",
"I"
],
"chemical_system": "Cs-Ge-I",
"density": 4.157331105019944,
"density_atomic": 0.021352370715445865,
"volume": 234.16603554860086,
"volume_molar": 28.203616545696764,
"formula_full": "Cs1 Ge1 I3",
"formula_reduced": "CsGeI3",
"formula_anonymous": "ABC3",
"energy": -15.40788737,
"energy_per_atom": -3.081577474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.27088737,
"band_gap": 1.1901,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0022664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.468000Z",
"spacegroup": 8
},
{
"id": "mp-21017",
"created_at": "2022-09-04T14:45:59.998618Z",
"structure_string": "Y3 Pb1 C1\n1.0\n4.920088 0.000000 0.000000\n0.000000 4.920088 0.000000\n0.000000 0.000000 4.920088\nY Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pb",
"C"
],
"chemical_system": "C-Pb-Y",
"density": 6.774896014638807,
"density_atomic": 0.041980865949466116,
"volume": 119.1018786039021,
"volume_molar": 14.344965554662616,
"formula_full": "Y3 Pb1 C1",
"formula_reduced": "Y3PbC",
"formula_anonymous": "ABC3",
"energy": -35.19090625,
"energy_per_atom": -7.038181249999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.19090625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009595,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.029000Z",
"spacegroup": 221
},
{
"id": "mp-675879",
"created_at": "2022-09-04T14:46:00.161180Z",
"structure_string": "Ag6 S2 I2\n1.0\n7.169073 0.000000 0.000000\n0.000000 4.912614 0.000000\n0.000000 0.081212 7.022475\nAg S I\n6 2 2\ndirect\n0.736748 0.381348 0.490793 Ag\n0.690951 0.516989 0.066298 Ag\n0.190951 0.483011 0.933702 Ag\n0.236748 0.618652 0.509207 Ag\n0.576954 0.006029 0.823567 Ag\n0.076954 0.993971 0.176433 Ag\n0.500640 0.508656 0.754357 S\n0.000640 0.491344 0.245643 S\n0.994706 0.008946 0.730401 I\n0.494706 0.991054 0.269599 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"S",
"I"
],
"chemical_system": "Ag-I-S",
"density": 6.480033178506964,
"density_atomic": 0.04043283132051095,
"volume": 247.32376322424778,
"volume_molar": 14.894185154293314,
"formula_full": "Ag6 S2 I2",
"formula_reduced": "Ag3SI",
"formula_anonymous": "ABC3",
"energy": -30.89818992,
"energy_per_atom": -3.089818992,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.13418992,
"band_gap": 0.3216000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.262000Z",
"spacegroup": 4
},
{
"id": "mp-550781",
"created_at": "2022-09-04T14:46:08.084330Z",
"structure_string": "Sr4 Co4 O12\n1.0\n4.900852 0.000252 -0.481161\n0.000440 5.520515 0.001790\n0.153424 0.003224 9.690901\nSr Co O\n4 4 12\ndirect\n0.528385 0.249896 0.651143 Sr\n0.471185 0.750131 0.349154 Sr\n0.019728 0.749934 0.651664 Sr\n0.979652 0.250104 0.347919 Sr\n0.500151 0.000140 0.999995 Co\n0.002487 0.249669 0.996968 Co\n0.500009 0.499331 0.999992 Co\n0.998059 0.750827 0.003138 Co\n0.185972 0.000889 0.103123 O\n0.680953 0.749629 0.101330 O\n0.690943 0.249678 0.098674 O\n0.486098 0.250138 0.394127 O\n0.814831 0.501167 0.897614 O\n0.310431 0.749914 0.901500 O\n0.185074 0.499218 0.102606 O\n0.513629 0.749935 0.606635 O\n0.814053 0.999484 0.896989 O\n0.319314 0.249879 0.898158 O\n0.019974 0.249984 0.605199 O\n0.979071 0.750053 0.394072 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 4.921002986387556,
"density_atomic": 0.07616232377734286,
"volume": 262.5970297133935,
"volume_molar": 7.906981380459791,
"formula_full": "Sr4 Co4 O12",
"formula_reduced": "SrCoO3",
"formula_anonymous": "ABC3",
"energy": -132.92509471,
"energy_per_atom": -6.6462547354999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.12909471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2862794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.536000Z",
"spacegroup": 11
},
{
"id": "mp-1247461",
"created_at": "2022-09-04T14:46:00.249211Z",
"structure_string": "V4 W4 N12\n1.0\n5.077725 0.894649 -1.580934\n-0.981447 8.682609 0.591918\n-4.276914 -3.182430 7.811141\nV W N\n4 4 12\ndirect\n0.214503 0.287180 0.513514 V\n0.785497 0.712820 0.486486 V\n0.112051 0.930152 0.416358 V\n0.887949 0.069848 0.583642 V\n0.861288 0.089706 0.111971 W\n0.138712 0.910294 0.888029 W\n0.515149 0.324131 0.261222 W\n0.484851 0.675869 0.738778 W\n0.357218 0.112894 0.455206 N\n0.642782 0.887106 0.544794 N\n0.887487 0.851488 0.950321 N\n0.112513 0.148512 0.049679 N\n0.663147 0.926076 0.160492 N\n0.336853 0.073924 0.839508 N\n0.131045 0.733410 0.479459 N\n0.868955 0.266590 0.520541 N\n0.814302 0.295112 0.220380 N\n0.185698 0.704888 0.779620 N\n0.449459 0.532783 0.297783 N\n0.550541 0.467217 0.702217 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"W",
"N"
],
"chemical_system": "N-V-W",
"density": 6.234727326229744,
"density_atomic": 0.06782187236589166,
"volume": 294.89011881155636,
"volume_molar": 8.87934902108158,
"formula_full": "V4 W4 N12",
"formula_reduced": "VWN3",
"formula_anonymous": "ABC3",
"energy": -198.20855353,
"energy_per_atom": -9.9104276765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.87655353,
"band_gap": 0.0583,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.920000Z",
"spacegroup": 2
}
]
}