HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=176",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=174",
"results": [
{
"id": "jvasp-90545",
"created_at": "2022-09-04T14:36:15.747787Z",
"updated_at": "2022-09-04T14:36:15.747803Z",
"structure_string": "Ti6 In2\n1.0\n0.000000 0.000000 -4.787026\n-2.942525 -5.096785 -0.000000\n-2.942525 5.096785 0.000000\nTi In\n6 2\ndirect\n0.750001 0.164221 0.328379 Ti\n0.750001 0.164200 0.835801 Ti\n0.750001 0.671623 0.835781 Ti\n0.250000 0.835781 0.671623 Ti\n0.250000 0.835801 0.164200 Ti\n0.250000 0.328379 0.164221 Ti\n0.750001 0.666685 0.333316 In\n0.250000 0.333316 0.666685 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 5.97711039910755,
"density_atomic": 0.0557157177667657,
"volume": 143.5860529247634,
"volume_molar": 10.808692773571686,
"formula_full": "Ti6 In2",
"formula_reduced": "Ti3In",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7132787425,
"spacegroup": 194
},
{
"id": "jvasp-22595",
"created_at": "2022-09-04T14:36:15.760807Z",
"updated_at": "2022-09-04T14:36:15.760824Z",
"structure_string": "Mo2 F6\n1.0\n4.667247 0.069182 3.422627\n1.772287 4.318214 3.422627\n0.101542 0.069182 5.786818\nMo F\n2 6\ndirect\n0.500001 0.499999 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n0.370769 0.749999 0.129233 F\n0.750001 0.129231 0.370768 F\n0.870768 0.629232 0.250001 F\n0.250001 0.870766 0.629234 F\n0.629234 0.249999 0.870768 F\n0.129232 0.370767 0.750001 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 4.464873754092241,
"density_atomic": 0.0703254621414925,
"volume": 113.7568066585082,
"volume_molar": 8.56324377632052,
"formula_full": "Mo2 F6",
"formula_reduced": "MoF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8484541868750001,
"spacegroup": 167
},
{
"id": "jvasp-49795",
"created_at": "2022-09-04T14:36:15.743461Z",
"updated_at": "2022-09-04T14:36:15.743487Z",
"structure_string": "Al4 O6\n1.0\n2.766472 4.887231 0.000000\n-2.766472 4.887231 0.000000\n0.000000 0.000000 4.968435\nAl O\n4 6\ndirect\n0.004455 0.330399 0.931403 Al\n0.669601 0.995545 0.931403 Al\n0.330399 0.004455 0.431403 Al\n0.995545 0.669601 0.431403 Al\n0.224666 0.775334 0.491003 O\n0.100316 0.339407 0.586967 O\n0.660593 0.899684 0.586967 O\n0.339407 0.100316 0.086966 O\n0.899684 0.660593 0.086966 O\n0.775334 0.224666 0.991004 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.5204356048364005,
"density_atomic": 0.07443226689046359,
"volume": 134.35033511361752,
"volume_molar": 8.090766292073754,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6173572200000002,
"spacegroup": 36
},
{
"id": "jvasp-1411",
"created_at": "2022-09-04T14:36:15.744921Z",
"updated_at": "2022-09-04T14:36:15.744945Z",
"structure_string": "Li1 N3\n1.0\n3.122627 -0.005097 0.742363\n1.401989 2.790207 0.742363\n-0.065205 -0.040136 4.877534\nLi N\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.615497 0.615495 0.260070 N\n0.384507 0.384504 0.739928 N\n0.500002 0.499999 0.499999 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.9032086363120735,
"density_atomic": 0.09363670593577159,
"volume": 42.71829043990215,
"volume_molar": 6.431388951391328,
"formula_full": "Li1 N3",
"formula_reduced": "LiN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9824799375,
"spacegroup": 12
},
{
"id": "jvasp-1225",
"created_at": "2022-09-04T14:36:15.751964Z",
"updated_at": "2022-09-04T14:36:15.751984Z",
"structure_string": "Bi8 O12\n1.0\n0.000000 5.934150 -0.032529\n8.139181 0.000000 0.000000\n0.000000 -2.839589 -6.901743\nBi O\n8 12\ndirect\n0.038145 0.543761 0.274786 Bi\n0.961855 0.043761 0.225214 Bi\n0.961854 0.456239 0.725214 Bi\n0.038145 0.956239 0.774786 Bi\n0.522169 0.689839 0.869144 Bi\n0.477830 0.189839 0.630855 Bi\n0.477830 0.310161 0.130855 Bi\n0.522170 0.810161 0.369145 Bi\n0.221715 0.207329 0.793227 O\n0.778285 0.707329 0.706773 O\n0.236634 0.946367 0.122266 O\n0.763366 0.446367 0.377734 O\n0.763366 0.053632 0.877734 O\n0.727820 0.034389 0.483981 O\n0.272179 0.965611 0.516018 O\n0.727820 0.465611 0.983981 O\n0.221715 0.292671 0.293227 O\n0.272179 0.534389 0.016019 O\n0.236634 0.553632 0.622266 O\n0.778285 0.792671 0.206773 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 9.26361317346693,
"density_atomic": 0.0598623296213689,
"volume": 334.099927725844,
"volume_molar": 10.059983963354297,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.65078382,
"spacegroup": 14
},
{
"id": "jvasp-60637",
"created_at": "2022-09-04T14:36:15.839154Z",
"updated_at": "2022-09-04T14:36:15.839175Z",
"structure_string": "V8 O20\n1.0\n3.587366 0.000000 0.000000\n0.000000 10.042316 0.000000\n0.000000 0.000000 10.007847\nV O\n8 20\ndirect\n0.250000 0.873915 0.016922 V\n0.750001 0.626086 0.516922 V\n0.250000 0.373915 0.483078 V\n0.750001 0.126085 0.983079 V\n0.750001 0.930113 0.606192 V\n0.250000 0.569887 0.106192 V\n0.750001 0.430113 0.893808 V\n0.250000 0.069887 0.393808 V\n0.250000 0.436971 0.955856 O\n0.750001 0.429082 0.463812 O\n0.250000 0.287751 0.618266 O\n0.250000 0.070919 0.963813 O\n0.250000 0.243643 0.357529 O\n0.750001 0.212250 0.118266 O\n0.250000 0.494892 0.248367 O\n0.750001 0.256357 0.857529 O\n0.750001 0.505109 0.751633 O\n0.250000 0.743643 0.142471 O\n0.250000 0.570919 0.536188 O\n0.750001 0.712250 0.381734 O\n0.750001 0.063029 0.455856 O\n0.750001 0.756358 0.642471 O\n0.250000 0.787751 0.881734 O\n0.750001 0.929082 0.036188 O\n0.250000 0.936971 0.544145 O\n0.250000 -0.005108 0.251633 O\n0.750001 0.563029 0.044145 O\n0.750001 0.005108 0.748367 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.3507637332976405,
"density_atomic": 0.07766186278687259,
"volume": 360.5373216045613,
"volume_molar": 7.754308928343063,
"formula_full": "V8 O20",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.0445151285714287,
"spacegroup": 62
},
{
"id": "jvasp-94293",
"created_at": "2022-09-04T14:36:15.842655Z",
"updated_at": "2022-09-04T14:36:15.842670Z",
"structure_string": "Sm2 Si4\n1.0\n4.111961 0.000000 0.000000\n0.000000 4.111961 0.000000\n-2.055981 -2.055981 7.219058\nSm Si\n2 4\ndirect\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.666902 0.166902 0.333805 Si\n0.583098 0.583098 0.166195 Si\n0.833098 0.333098 0.666196 Si\n0.416902 0.416902 0.833805 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Si"
],
"chemical_system": "Si-Sm",
"density": 5.619346806248013,
"density_atomic": 0.049155571015745636,
"volume": 122.0614444307455,
"volume_molar": 12.251186662181123,
"formula_full": "Sm2 Si4",
"formula_reduced": "SmSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1275586916666667,
"spacegroup": 141
},
{
"id": "jvasp-107753",
"created_at": "2022-09-04T14:36:15.871142Z",
"updated_at": "2022-09-04T14:36:15.871174Z",
"structure_string": "La1 Dy1\n1.0\n3.645283 0.000000 0.000000\n-1.822642 3.156908 0.000000\n-0.000000 0.000000 5.846639\nLa Dy\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.333334 0.666667 0.500000 Dy\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Dy"
],
"chemical_system": "Dy-La",
"density": 7.438763854113517,
"density_atomic": 0.029725593915301326,
"volume": 67.28208713671806,
"volume_molar": 20.259109968195077,
"formula_full": "La1 Dy1",
"formula_reduced": "LaDy",
"formula_anonymous": "AB",
"energy_above_hull": 1.10173575,
"spacegroup": 187
},
{
"id": "jvasp-100161",
"created_at": "2022-09-04T14:36:15.883316Z",
"updated_at": "2022-09-04T14:36:15.883339Z",
"structure_string": "Ce2 P6\n1.0\n5.787288 0.000000 0.000000\n-2.893644 5.011939 -0.000000\n-0.000000 0.000000 5.565257\nCe P\n2 6\ndirect\n0.333334 0.666667 0.750000 Ce\n0.666668 0.333333 0.250000 Ce\n0.199823 0.399645 0.250000 P\n0.600356 0.800178 0.250000 P\n0.199823 0.800178 0.250000 P\n0.800179 0.600355 0.750000 P\n0.399646 0.199822 0.750000 P\n0.800178 0.199822 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"P"
],
"chemical_system": "Ce-P",
"density": 4.794445767972165,
"density_atomic": 0.04955915473696773,
"volume": 161.42325353326797,
"volume_molar": 12.15141943393134,
"formula_full": "Ce2 P6",
"formula_reduced": "CeP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5976380000000003,
"spacegroup": 194
},
{
"id": "jvasp-85846",
"created_at": "2022-09-04T14:36:15.839989Z",
"updated_at": "2022-09-04T14:36:15.840010Z",
"structure_string": "Re3 P4\n1.0\n2.969504 -0.000000 -0.735461\n-0.597260 5.564835 -2.411506\n-0.000457 0.013371 6.360740\nRe P\n3 4\ndirect\n0.263817 0.318756 0.527636 Re\n0.736180 0.681243 0.472363 Re\n0.000000 0.000000 0.000000 Re\n0.086312 0.436131 0.172625 P\n0.913685 0.563868 0.827374 P\n0.352023 0.024926 0.704047 P\n0.647975 0.975073 0.295952 P\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 10.772243254605744,
"density_atomic": 0.06653378448008342,
"volume": 105.2097074396154,
"volume_molar": 9.051252393139757,
"formula_full": "Re3 P4",
"formula_reduced": "Re3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.284008,
"spacegroup": 12
},
{
"id": "jvasp-3273",
"created_at": "2022-09-04T14:36:15.898492Z",
"updated_at": "2022-09-04T14:36:15.898500Z",
"structure_string": "K6 As2\n1.0\n2.884805 -4.996629 0.000000\n2.884805 4.996629 0.000000\n0.000000 0.000000 10.213388\nK As\n6 2\ndirect\n0.333332 0.666666 0.919554 K\n0.666666 0.333332 0.419553 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333332 0.666666 0.580447 K\n0.666666 0.333332 0.080447 K\n0.666666 0.333332 0.750000 As\n0.333332 0.666666 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"As"
],
"chemical_system": "As-K",
"density": 2.168085302721157,
"density_atomic": 0.027170435164902224,
"volume": 294.43768388126915,
"volume_molar": 22.164314717267324,
"formula_full": "K6 As2",
"formula_reduced": "K3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-3510",
"created_at": "2022-09-04T14:36:16.045305Z",
"updated_at": "2022-09-04T14:36:16.045336Z",
"structure_string": "Bi2 I6\n1.0\n6.725523 -0.009121 4.718348\n2.448622 6.263944 4.718348\n-0.013378 -0.009121 8.215552\nBi I\n2 6\ndirect\n0.666561 0.666562 0.666563 Bi\n0.333438 0.333438 0.333438 Bi\n0.914704 0.245117 0.578667 I\n0.245117 0.578666 0.914706 I\n0.421333 0.085295 0.754883 I\n0.754882 0.421333 0.085295 I\n0.085295 0.754882 0.421334 I\n0.578666 0.914705 0.245118 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"I"
],
"chemical_system": "Bi-I",
"density": 5.645962422037894,
"density_atomic": 0.02306334566607214,
"volume": 346.8707496227914,
"volume_molar": 26.111305996939585,
"formula_full": "Bi2 I6",
"formula_reduced": "BiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 148
}
]
}