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=-nsites&page=553",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=551",
"results": [
{
"id": "jvasp-5332",
"created_at": "2022-09-04T14:37:41.942822Z",
"updated_at": "2022-09-04T14:37:41.942843Z",
"structure_string": "Re4 Cl16\n1.0\n0.000000 6.393003 -0.003578\n6.225823 0.000000 0.000000\n0.000000 -0.766632 -12.053876\nRe Cl\n4 16\ndirect\n0.314487 0.261130 0.186563 Re\n0.685513 0.261130 0.313437 Re\n0.685513 0.738869 0.813437 Re\n0.314487 0.738869 0.686563 Re\n0.863615 0.433810 0.867040 Cl\n0.136385 0.433810 0.632961 Cl\n0.368464 0.408718 0.373847 Cl\n0.631536 0.408718 0.126154 Cl\n0.631536 0.591281 0.626154 Cl\n0.368464 0.591281 0.873847 Cl\n0.248617 0.103637 0.017134 Cl\n0.751383 0.896363 0.982867 Cl\n0.863615 0.566189 0.367040 Cl\n0.248617 0.896363 0.517134 Cl\n0.500000 0.063620 0.750000 Cl\n0.500000 0.936380 0.250000 Cl\n0.000000 0.915635 0.750000 Cl\n0.000000 0.084364 0.250000 Cl\n0.751383 0.103637 0.482867 Cl\n0.136385 0.566189 0.132961 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Re",
"Cl"
],
"chemical_system": "Cl-Re",
"density": 4.541133120160169,
"density_atomic": 0.04168560795099246,
"volume": 479.78189555284723,
"volume_molar": 14.446570545594321,
"formula_full": "Re4 Cl16",
"formula_reduced": "ReCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.442690854,
"spacegroup": 13
},
{
"id": "jvasp-26176",
"created_at": "2022-09-04T14:37:54.898975Z",
"updated_at": "2022-09-04T14:37:54.898999Z",
"structure_string": "K4 Pa2 F14\n1.0\n6.055991 -0.000000 2.901304\n2.112464 6.543031 3.361674\n0.013842 -0.016652 7.742199\nK Pa F\n4 2 14\ndirect\n0.667645 0.393921 0.257322 K\n0.318888 0.106079 0.242677 K\n0.332354 0.606079 0.742677 K\n0.681110 0.893921 0.757322 K\n0.978074 0.750000 0.249999 Pa\n0.021924 0.250000 0.750000 Pa\n0.888318 0.207176 0.562732 F\n0.658226 0.292824 0.937267 F\n0.111681 0.792824 0.437267 F\n0.341772 0.707176 0.062732 F\n0.059782 0.083480 0.069315 F\n0.212577 0.416520 0.430685 F\n0.295067 -0.002012 0.643252 F\n0.787422 0.583480 0.569315 F\n0.647821 0.750000 0.250000 F\n0.936308 0.502012 0.856747 F\n0.704932 0.002012 0.356747 F\n0.063691 0.497988 0.143252 F\n0.940217 0.916520 0.930684 F\n0.352177 0.250000 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Pa",
"F"
],
"chemical_system": "F-K-Pa",
"density": 4.787698316261275,
"density_atomic": 0.06519856241756702,
"volume": 306.75522984554675,
"volume_molar": 9.236615864980179,
"formula_full": "K4 Pa2 F14",
"formula_reduced": "K2PaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-25634",
"created_at": "2022-09-04T14:37:42.239590Z",
"updated_at": "2022-09-04T14:37:42.239611Z",
"structure_string": "Ba4 Ca2 U2 O12\n1.0\n0.000000 6.208028 0.002653\n6.159079 0.000000 0.000000\n0.000000 -6.185932 -8.707640\nBa Ca U O\n4 2 2 12\ndirect\n0.245087 0.016984 0.250413 Ba\n0.754914 0.516984 0.249588 Ba\n0.754914 0.983017 0.749588 Ba\n0.245087 0.483016 0.750413 Ba\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.305457 0.489244 0.235699 O\n0.305457 0.010756 0.735699 O\n0.779682 0.283918 0.036279 O\n0.220319 0.716082 0.963722 O\n0.824311 0.758939 0.038578 O\n0.694544 0.510756 0.764301 O\n0.779682 0.216082 0.536279 O\n0.175690 0.258939 0.461422 O\n0.175690 0.241061 0.961422 O\n0.220319 0.783919 0.463722 O\n0.694544 0.989244 0.264301 O\n0.824311 0.741061 0.538578 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"U",
"O"
],
"chemical_system": "Ba-Ca-O-U",
"density": 6.473263978666061,
"density_atomic": 0.06008858207645679,
"volume": 332.84193616937034,
"volume_molar": 10.022104952214416,
"formula_full": "Ba4 Ca2 U2 O12",
"formula_reduced": "Ba2CaUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.997027936,
"spacegroup": 14
},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.401677288989236,
"density_atomic": 0.0388773435140143,
"volume": 514.4384413196983,
"volume_molar": 15.490103529911119,
"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.35994645075,
"spacegroup": 11
},
{
"id": "jvasp-40929",
"created_at": "2022-09-04T14:37:42.031348Z",
"updated_at": "2022-09-04T14:37:42.031370Z",
"structure_string": "K1 Zn4 Sb3 O12\n1.0\n5.504045 3.177761 2.463512\n-5.504044 3.177762 2.463512\n-0.000000 -6.355523 2.463512\nK Zn Sb O\n1 4 3 12\ndirect\n0.508880 0.508879 0.508879 K\n0.025414 0.637357 0.508034 Zn\n0.508034 0.025414 0.637357 Zn\n0.637359 0.508034 0.025413 Zn\n0.987495 0.987494 0.987495 Zn\n0.067152 0.193134 0.652722 Sb\n0.193134 0.652721 0.067153 Sb\n0.652722 0.067152 0.193135 Sb\n0.734469 0.161845 0.534511 O\n0.116992 0.319450 0.986397 O\n0.319451 0.986396 0.116992 O\n0.986396 0.116991 0.319451 O\n0.391101 0.252648 0.729213 O\n0.654815 0.962685 0.891798 O\n0.729214 0.391100 0.252647 O\n0.252647 0.729212 0.391102 O\n0.534512 0.734468 0.161845 O\n0.891798 0.654814 0.962686 O\n0.962686 0.891798 0.654814 O\n0.161845 0.534512 0.734469 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Zn",
"Sb",
"O"
],
"chemical_system": "K-O-Sb-Zn",
"density": 5.511005076272986,
"density_atomic": 0.077360777806756,
"volume": 258.52894150003465,
"volume_molar": 7.784488381235072,
"formula_full": "K1 Zn4 Sb3 O12",
"formula_reduced": "KZn4(SbO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.5946694949999998,
"spacegroup": 146
},
{
"id": "jvasp-20768",
"created_at": "2022-09-04T14:37:36.450845Z",
"updated_at": "2022-09-04T14:37:36.450857Z",
"structure_string": "Re6 As14\n1.0\n7.262929 -0.000000 -2.567833\n-3.631464 6.289881 -2.567833\n0.000000 0.000000 7.703499\nRe As\n6 14\ndirect\n0.000000 0.659964 0.659964 Re\n0.659964 0.659964 0.000001 Re\n0.659964 -0.000000 0.659964 Re\n0.340036 -0.000000 0.340036 Re\n0.000000 0.340036 0.340036 Re\n0.340036 0.340036 0.000000 Re\n0.668183 0.668183 0.668183 As\n0.668183 0.000000 0.000000 As\n-0.000000 -0.000000 0.668183 As\n0.000000 0.668183 0.000000 As\n0.500000 0.750000 0.250001 As\n0.331817 0.000000 0.000000 As\n0.331818 0.331817 0.331818 As\n0.500000 0.250000 0.750000 As\n0.250000 0.750000 0.500001 As\n0.750000 0.250000 0.500000 As\n0.250000 0.500000 0.750000 As\n0.750000 0.500000 0.250001 As\n0.000000 0.331817 0.000000 As\n-0.000000 -0.000000 0.331817 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Re",
"As"
],
"chemical_system": "As-Re",
"density": 10.221020129072649,
"density_atomic": 0.05683131923184813,
"volume": 351.91862990912324,
"volume_molar": 10.596517626895434,
"formula_full": "Re6 As14",
"formula_reduced": "Re3As7",
"formula_anonymous": "A3B7",
"energy_above_hull": 4.435413625,
"spacegroup": 229
},
{
"id": "jvasp-41626",
"created_at": "2022-09-04T14:37:42.388301Z",
"updated_at": "2022-09-04T14:37:42.388321Z",
"structure_string": "Tm2 Sb2 Pb4 O12\n1.0\n5.095761 2.930645 0.001881\n-5.095754 2.930634 -0.001894\n-3.263892 -0.000030 9.640185\nTm Sb Pb O\n2 2 4 12\ndirect\n0.249236 0.249232 0.250002 Tm\n0.750763 0.750765 0.749999 Tm\n0.500001 -0.000001 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.906016 0.643068 0.127124 Pb\n0.643069 0.906014 0.372877 Pb\n0.093983 0.356929 0.872878 Pb\n0.356930 0.093983 0.627124 Pb\n0.113996 0.309887 0.414576 O\n0.309888 0.113999 0.085425 O\n0.120511 0.821918 0.350770 O\n0.821924 0.120518 0.149231 O\n0.879488 0.178079 0.649232 O\n0.665319 0.358985 0.878531 O\n0.334681 0.641013 0.121470 O\n0.641020 0.334678 0.378536 O\n0.690111 0.885998 0.914576 O\n0.358980 0.665320 0.621465 O\n0.178075 0.879479 0.850770 O\n0.886004 0.690110 0.585425 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tm",
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb-Tm",
"density": 9.238889186611319,
"density_atomic": 0.06945268172228673,
"volume": 287.96584241299615,
"volume_molar": 8.670854185415205,
"formula_full": "Tm2 Sb2 Pb4 O12",
"formula_reduced": "TmSb(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.937855299,
"spacegroup": 15
},
{
"id": "jvasp-23940",
"created_at": "2022-09-04T14:37:41.156495Z",
"updated_at": "2022-09-04T14:37:41.156528Z",
"structure_string": "K3 B6 Br1 O10\n1.0\n6.441568 -0.014474 -1.289183\n-1.569999 6.247328 -1.289183\n-0.011313 -0.014474 6.569297\nK B Br O\n3 6 1 10\ndirect\n0.071371 0.530248 0.071371 K\n0.071371 0.071371 0.530248 K\n0.530248 0.071371 0.071371 K\n0.641755 0.641755 0.380419 B\n0.641755 0.380419 0.641755 B\n0.380418 0.641755 0.641755 B\n0.519143 0.970539 0.519143 B\n0.519143 0.519143 0.970539 B\n0.970539 0.519143 0.519143 B\n0.003349 0.003349 0.003349 Br\n0.866585 0.633864 0.399491 O\n0.399491 0.866585 0.633864 O\n0.633864 0.399491 0.866585 O\n0.633864 0.866585 0.399491 O\n0.399491 0.633864 0.866585 O\n0.866585 0.399491 0.633864 O\n0.562568 0.562568 0.562568 O\n0.175461 0.507305 0.507305 O\n0.507305 0.175461 0.507305 O\n0.507304 0.507305 0.175461 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-K-O",
"density": 2.6549642747665345,
"density_atomic": 0.07576463181295642,
"volume": 263.9754133482085,
"volume_molar": 7.948485481810471,
"formula_full": "K3 B6 Br1 O10",
"formula_reduced": "K3B6BrO10",
"formula_anonymous": "AB3C6D10",
"energy_above_hull": 2.91535293025,
"spacegroup": 160
},
{
"id": "jvasp-42024",
"created_at": "2022-09-04T14:37:34.355309Z",
"updated_at": "2022-09-04T14:37:34.355340Z",
"structure_string": "Pr4 B4 S12\n1.0\n6.024419 0.000000 0.000000\n0.000000 7.619293 0.000000\n0.000000 0.000000 8.982753\nPr B S\n4 4 12\ndirect\n0.928965 0.113554 0.433287 Pr\n0.071035 0.886446 0.933287 Pr\n0.428965 0.386446 0.933287 Pr\n0.571035 0.613553 0.433287 Pr\n0.403972 0.145943 0.604637 B\n0.596028 0.854057 0.104637 B\n0.903972 0.354057 0.104637 B\n0.096028 0.645942 0.604637 B\n0.595066 0.999147 0.945496 S\n0.404934 0.000852 0.445496 S\n0.635010 0.296200 0.636410 S\n0.364990 0.703800 0.136410 S\n0.135010 0.203800 0.136410 S\n0.836223 0.826013 0.225989 S\n0.336223 0.673986 0.725988 S\n0.663777 0.326014 0.225989 S\n0.904934 0.499147 0.945496 S\n0.163777 0.173986 0.725988 S\n0.864990 0.796200 0.636410 S\n0.095066 0.500852 0.445496 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"B",
"S"
],
"chemical_system": "B-Pr-S",
"density": 3.993652069155363,
"density_atomic": 0.04850546735774762,
"volume": 412.3246530641966,
"volume_molar": 12.415385497853785,
"formula_full": "Pr4 B4 S12",
"formula_reduced": "PrBS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2455684866666665,
"spacegroup": 33
},
{
"id": "jvasp-39526",
"created_at": "2022-09-04T14:37:41.034927Z",
"updated_at": "2022-09-04T14:37:41.034951Z",
"structure_string": "Si12 N8\n1.0\n6.713527 -0.000000 0.000000\n-0.000000 6.713527 -0.000000\n0.000000 -0.000000 6.713527\nSi N\n12 8\ndirect\n0.821627 0.821627 0.500000 Si\n0.178374 0.500000 0.178374 Si\n0.821627 0.500000 0.821627 Si\n0.821627 0.500000 0.178374 Si\n0.500000 0.821627 0.821627 Si\n0.500000 0.178374 0.178374 Si\n0.178374 0.500000 0.821627 Si\n0.500000 0.821627 0.178374 Si\n0.821627 0.178374 0.500000 Si\n0.178374 0.821627 0.500000 Si\n0.178374 0.178374 0.500000 Si\n0.500000 0.178374 0.821627 Si\n0.721131 0.278869 0.278869 N\n0.721132 0.721132 0.278869 N\n0.278869 0.278869 0.278869 N\n0.278869 0.721132 0.721132 N\n0.721132 0.278869 0.721132 N\n0.278869 0.278869 0.721131 N\n0.721131 0.721131 0.721131 N\n0.278869 0.721131 0.278869 N\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"N"
],
"chemical_system": "N-Si",
"density": 2.4644510985836416,
"density_atomic": 0.06609639545833812,
"volume": 302.5883614577197,
"volume_molar": 9.111148525180734,
"formula_full": "Si12 N8",
"formula_reduced": "Si3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.086160459999999,
"spacegroup": 221
},
{
"id": "jvasp-50037",
"created_at": "2022-09-04T14:37:35.773307Z",
"updated_at": "2022-09-04T14:37:35.773328Z",
"structure_string": "Ba4 Y2 Cl14\n1.0\n8.220531 4.057560 -0.311389\n-8.220531 4.057560 0.311389\n-5.916851 0.000000 8.161308\nBa Y Cl\n4 2 14\ndirect\n0.311084 0.680986 0.730778 Ba\n0.319014 0.688916 0.230777 Ba\n0.680986 0.311084 0.769222 Ba\n0.688916 0.319014 0.269222 Ba\n0.974875 0.974874 0.750000 Y\n0.025126 0.025126 0.250000 Y\n0.931888 0.760500 0.066608 Cl\n0.888811 0.634640 0.454928 Cl\n0.390788 0.390788 0.250000 Cl\n0.239500 0.068112 0.566608 Cl\n0.634640 0.888811 0.045072 Cl\n0.365360 0.111189 0.954928 Cl\n0.111189 0.365360 0.545072 Cl\n0.609212 0.609212 0.750000 Cl\n0.690978 0.069513 0.647570 Cl\n0.068112 0.239500 0.933393 Cl\n0.309022 0.930487 0.352430 Cl\n0.069513 0.690978 0.852430 Cl\n0.760500 0.931888 0.433393 Cl\n0.930487 0.309022 0.147570 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cl"
],
"chemical_system": "Ba-Cl-Y",
"density": 3.8368813544115374,
"density_atomic": 0.03777190508484368,
"volume": 529.4940764855724,
"volume_molar": 15.943439300911612,
"formula_full": "Ba4 Y2 Cl14",
"formula_reduced": "Ba2YCl7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.11992558625,
"spacegroup": 15
},
{
"id": "jvasp-23543",
"created_at": "2022-09-04T14:37:35.756138Z",
"updated_at": "2022-09-04T14:37:35.756157Z",
"structure_string": "U4 Co6 Si10\n1.0\n5.243029 0.000000 2.004544\n2.244769 7.212837 1.987676\n0.018307 -0.022911 7.811147\nU Co Si\n4 6 10\ndirect\n0.863506 0.869101 0.403887 U\n0.636494 0.596113 0.130899 U\n0.363506 0.403888 0.869101 U\n0.136494 0.130899 0.596113 U\n0.140275 0.473205 0.246246 Co\n0.250000 -0.000000 -0.000000 Co\n0.640275 0.246246 0.473205 Co\n0.359725 0.753754 0.526795 Co\n0.859726 0.526795 0.753754 Co\n0.750000 -0.000000 -0.000000 Co\n0.101818 0.743368 0.052997 Si\n0.750000 0.500000 0.500000 Si\n0.976830 0.773171 0.773170 Si\n0.476830 0.773171 0.773171 Si\n0.023171 0.226830 0.226830 Si\n0.601818 0.052997 0.743368 Si\n0.398183 0.947004 0.256632 Si\n0.898183 0.256632 0.947003 Si\n0.250000 0.500000 0.500000 Si\n0.523171 0.226830 0.226829 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Co",
"Si"
],
"chemical_system": "Co-Si-U",
"density": 8.922669802686336,
"density_atomic": 0.06773553005568374,
"volume": 295.26601450610167,
"volume_molar": 8.890667504999731,
"formula_full": "U4 Co6 Si10",
"formula_reduced": "U2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 4.44008877,
"spacegroup": 72
}
]
}