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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4105",
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"results": [
{
"id": "jvasp-109390",
"created_at": "2022-09-04T14:38:20.295668Z",
"updated_at": "2022-09-04T14:38:20.295678Z",
"structure_string": "Mg4 B3 Ir2\n1.0\n4.570125 -0.001686 1.840882\n2.027780 4.095626 1.840882\n0.041305 0.025630 6.920474\nMg B Ir\n4 3 2\ndirect\n0.288054 0.325819 0.842225 Mg\n0.674181 0.711946 0.157774 Mg\n0.284783 0.322539 0.360014 Mg\n0.677461 0.715218 0.639984 Mg\n0.654130 0.345869 -0.000000 B\n0.308077 0.691923 -0.000000 B\n0.981095 0.018904 0.500000 B\n0.995616 0.033397 0.780651 Ir\n0.966602 0.004384 0.219348 Ir\n",
"nsites": 9,
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"elements": [
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"B",
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],
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"density": 6.611059333381744,
"density_atomic": 0.069699208310822,
"volume": 129.1262873441074,
"volume_molar": 8.640185313360236,
"formula_full": "Mg4 B3 Ir2",
"formula_reduced": "Mg4B3Ir2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 12
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{
"id": "jvasp-10939",
"created_at": "2022-09-04T14:37:07.261614Z",
"updated_at": "2022-09-04T14:37:07.261642Z",
"structure_string": "Ca3 Mn2 Ga2 O10\n1.0\n5.342267 -0.027068 0.010486\n-0.075295 5.621336 0.007361\n-2.513770 -2.605527 6.944345\nCa Mn Ga O\n3 2 2 10\ndirect\n0.399431 0.875620 0.811208 Ca\n0.102038 0.566393 0.218457 Ca\n0.886335 0.428981 0.770354 Ca\n0.989277 -0.001589 0.012811 Mn\n0.493365 0.486180 0.009990 Mn\n0.296205 0.169408 0.494465 Ga\n0.780585 0.838693 0.489823 Ga\n0.198877 0.229948 0.957531 O\n0.228141 0.762853 0.024689 O\n0.083337 0.195537 0.267397 O\n0.810292 0.805188 0.725938 O\n0.142619 0.869590 0.504948 O\n0.320997 0.433710 0.720822 O\n0.713234 0.244940 0.957772 O\n0.637822 0.133237 0.491998 O\n0.583841 0.562901 0.272141 O\n0.748763 0.742636 0.031539 O\n",
"nsites": 17,
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"elements": [
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"Mn",
"Ga",
"O"
],
"chemical_system": "Ca-Ga-Mn-O",
"density": 4.211746268648471,
"density_atomic": 0.08142447696071727,
"volume": 208.78242801856186,
"volume_molar": 7.395983351425573,
"formula_full": "Ca3 Mn2 Ga2 O10",
"formula_reduced": "Ca3Mn2(GaO5)2",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.1002279642799184,
"spacegroup": 1
},
{
"id": "jvasp-109388",
"created_at": "2022-09-04T14:38:19.369313Z",
"updated_at": "2022-09-04T14:38:19.369329Z",
"structure_string": "Mg4 Si1 Sn1\n1.0\n4.445436 0.006255 6.678727\n2.024129 3.957884 6.678727\n0.010208 0.006255 8.022917\nMg Si Sn\n4 1 1\ndirect\n0.620936 0.620932 0.620935 Mg\n0.128434 0.128433 0.128434 Mg\n0.871569 0.871563 0.871568 Mg\n0.379067 0.379065 0.379067 Mg\n0.500002 0.499998 0.500001 Si\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 2.88012814247923,
"density_atomic": 0.04264779184971732,
"volume": 140.68723701200884,
"volume_molar": 14.120639073696651,
"formula_full": "Mg4 Si1 Sn1",
"formula_reduced": "Mg4SiSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1190938916666664,
"spacegroup": 166
},
{
"id": "jvasp-109387",
"created_at": "2022-09-04T14:38:05.716910Z",
"updated_at": "2022-09-04T14:38:05.716941Z",
"structure_string": "Mg1 U2 O6\n1.0\n4.758501 -0.022099 -4.237173\n-0.509356 3.558529 -5.260693\n0.012376 0.022099 6.371563\nMg U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.662881 0.662882 0.000000 U\n0.337118 0.337118 0.000000 U\n0.745111 0.500000 0.245111 O\n0.419808 0.168669 0.251139 O\n0.082468 0.831331 0.251139 O\n0.254889 0.500000 0.754889 O\n0.917532 0.168669 0.748862 O\n0.580192 0.831331 0.748862 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"U",
"O"
],
"chemical_system": "Mg-O-U",
"density": 9.117859435280879,
"density_atomic": 0.0828663798831145,
"volume": 108.60858182407351,
"volume_molar": 7.267290749872759,
"formula_full": "Mg1 U2 O6",
"formula_reduced": "MgU2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.985412450000001,
"spacegroup": 71
},
{
"id": "jvasp-109386",
"created_at": "2022-09-04T14:38:02.232676Z",
"updated_at": "2022-09-04T14:38:02.232702Z",
"structure_string": "Mg1 Mn3 Te4\n1.0\n4.502335 -0.000000 0.000000\n0.000000 4.502335 0.000000\n-0.000000 -0.000000 12.702415\nMg Mn Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.746960 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.499999 0.253040 Mn\n-0.000000 0.499999 0.623536 Te\n0.499999 0.000000 0.376464 Te\n-0.000000 0.499999 0.130941 Te\n0.499999 0.000000 0.869060 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.511145004283313,
"density_atomic": 0.031069057419226328,
"volume": 257.49091425764965,
"volume_molar": 19.383081626008213,
"formula_full": "Mg1 Mn3 Te4",
"formula_reduced": "MgMn3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2334264801005745,
"spacegroup": 115
},
{
"id": "jvasp-109385",
"created_at": "2022-09-04T14:38:18.695776Z",
"updated_at": "2022-09-04T14:38:18.695805Z",
"structure_string": "Mn3 Cr1 As4\n1.0\n3.450262 0.000000 0.000000\n0.000000 5.559562 0.017379\n0.000000 -0.007996 6.087623\nMn Cr As\n3 1 4\ndirect\n0.500000 0.002165 0.194135 Mn\n-0.000000 0.497637 0.695030 Mn\n-0.000000 0.997117 0.805163 Mn\n0.500000 0.503027 0.304042 Cr\n0.500000 0.701005 0.917705 As\n0.500000 0.201855 0.582978 As\n-0.000000 0.296659 0.081338 As\n-0.000000 0.800531 0.419607 As\n",
"nsites": 8,
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"elements": [
"Mn",
"Cr",
"As"
],
"chemical_system": "As-Cr-Mn",
"density": 7.344705872886062,
"density_atomic": 0.06850902735907083,
"volume": 116.77293209944796,
"volume_molar": 8.790287925759975,
"formula_full": "Mn3 Cr1 As4",
"formula_reduced": "Mn3CrAs4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.8733945155172416,
"spacegroup": 6
},
{
"id": "jvasp-109384",
"created_at": "2022-09-04T14:37:56.488756Z",
"updated_at": "2022-09-04T14:37:56.488776Z",
"structure_string": "Mn5 Al2 V1\n1.0\n3.884271 -0.003316 -1.164191\n-1.764422 3.460402 1.164191\n-0.008356 0.005124 7.031472\nMn Al V\n5 2 1\ndirect\n0.749081 0.250917 0.247203 Mn\n0.250890 0.749108 0.752745 Mn\n0.000918 0.999081 0.002797 Mn\n0.499108 0.500889 0.497255 Mn\n0.375000 0.624999 0.125000 Mn\n0.124858 0.875140 0.374488 Al\n0.625140 0.374857 0.875512 Al\n0.874999 0.124998 0.625000 V\n",
"nsites": 8,
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"elements": [
"Mn",
"Al",
"V"
],
"chemical_system": "Al-Mn-V",
"density": 6.675578439471549,
"density_atomic": 0.0847246017022759,
"volume": 94.42357755911529,
"volume_molar": 7.107900939047119,
"formula_full": "Mn5 Al2 V1",
"formula_reduced": "Mn5Al2V",
"formula_anonymous": "AB2C5",
"energy_above_hull": 4.189189500862069,
"spacegroup": 166
},
{
"id": "jvasp-109383",
"created_at": "2022-09-04T14:38:49.234713Z",
"updated_at": "2022-09-04T14:38:49.234735Z",
"structure_string": "Mn1 Cd4 S5\n1.0\n4.111527 0.001624 16.521347\n2.026254 3.577562 16.521347\n0.002786 0.001624 17.025263\nMn Cd S\n1 4 5\ndirect\n0.400714 0.400712 0.400714 Mn\n0.002102 0.002102 0.002102 Cd\n0.600575 0.600572 0.600574 Cd\n0.199040 0.199039 0.199039 Cd\n0.797379 0.797375 0.797378 Cd\n0.951613 0.951608 0.951611 S\n0.550060 0.550057 0.550059 S\n0.148505 0.148504 0.148505 S\n0.746632 0.746628 0.746631 S\n0.353391 0.353389 0.353391 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"S"
],
"chemical_system": "Cd-Mn-S",
"density": 4.413730153014161,
"density_atomic": 0.039975669482180225,
"volume": 250.15215828862242,
"volume_molar": 15.06451508631885,
"formula_full": "Mn1 Cd4 S5",
"formula_reduced": "MnCd4S5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.6681756241379311,
"spacegroup": 160
},
{
"id": "jvasp-109382",
"created_at": "2022-09-04T14:38:28.350749Z",
"updated_at": "2022-09-04T14:38:28.350776Z",
"structure_string": "Mn2 Co2 Si4\n1.0\n4.443315 0.000000 0.000000\n0.000000 4.501048 0.044523\n0.000000 -0.003051 4.506128\nMn Co Si\n2 2 4\ndirect\n0.636220 0.891366 0.871073 Mn\n0.136220 0.108634 0.128927 Mn\n0.365127 0.389335 0.635261 Co\n0.865126 0.610665 0.364739 Co\n0.658469 0.086926 0.350182 Si\n0.158470 0.913075 0.649818 Si\n0.340182 0.587149 0.157238 Si\n0.840181 0.412852 0.842762 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Co",
"Si"
],
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"density": 6.266264617116093,
"density_atomic": 0.08876930244325525,
"volume": 90.12124439204541,
"volume_molar": 6.784035239940727,
"formula_full": "Mn2 Co2 Si4",
"formula_reduced": "MnCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.342218835344827,
"spacegroup": 4
},
{
"id": "jvasp-109381",
"created_at": "2022-09-04T14:38:27.927438Z",
"updated_at": "2022-09-04T14:38:27.927451Z",
"structure_string": "Mn1 Fe1 O2\n1.0\n3.056080 -0.000000 0.000000\n0.000000 3.056080 0.000000\n-0.000000 -0.000000 4.326760\nMn Fe O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 4,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.867185826232151,
"density_atomic": 0.0989846262957514,
"volume": 40.41031571962087,
"volume_molar": 6.083915235489939,
"formula_full": "Mn1 Fe1 O2",
"formula_reduced": "MnFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.824684935344828,
"spacegroup": 123
},
{
"id": "jvasp-109379",
"created_at": "2022-09-04T14:38:27.601668Z",
"updated_at": "2022-09-04T14:38:27.601681Z",
"structure_string": "Na1 Nb2 O4\n1.0\n3.006686 -0.000000 0.000000\n-1.503343 2.603866 0.000000\n-0.000000 -0.000000 10.535424\nNa Nb O\n1 2 4\ndirect\n0.000000 0.000000 0.500000 Na\n0.333335 0.666668 0.224060 Nb\n0.666668 0.333334 0.775940 Nb\n0.666668 0.333334 0.350745 O\n0.333335 0.666668 0.649255 O\n0.333335 0.666668 0.885040 O\n0.666668 0.333334 0.114960 O\n",
"nsites": 7,
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"elements": [
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"Nb",
"O"
],
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"density": 5.49205584304497,
"density_atomic": 0.08486709083724833,
"volume": 82.48191296463865,
"volume_molar": 7.0959670003874695,
"formula_full": "Na1 Nb2 O4",
"formula_reduced": "NaNb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.9048788285714284,
"spacegroup": 164
},
{
"id": "jvasp-109378",
"created_at": "2022-09-04T14:38:26.852415Z",
"updated_at": "2022-09-04T14:38:26.852436Z",
"structure_string": "Na1 Sb1 S2\n1.0\n4.004799 0.000000 0.000000\n0.000000 4.004799 0.000000\n0.000000 -0.000000 5.442384\nNa Sb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.9736979084634174,
"density_atomic": 0.04582572689205921,
"volume": 87.28721334681391,
"volume_molar": 13.141397133066603,
"formula_full": "Na1 Sb1 S2",
"formula_reduced": "NaSbS2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
}
]
}