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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1243",
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"results": [
{
"id": "jvasp-55641",
"created_at": "2022-09-04T14:36:57.374747Z",
"updated_at": "2022-09-04T14:36:57.374771Z",
"structure_string": "Na4 Br4 O12\n1.0\n6.684051 0.000000 -0.000000\n0.000000 6.684051 -0.000000\n0.000000 -0.000000 6.684051\nNa Br O\n4 4 12\ndirect\n0.077669 0.077669 0.077669 Na\n0.422331 0.922330 0.577669 Na\n0.577669 0.422331 0.922330 Na\n0.922330 0.577669 0.422331 Na\n0.402969 0.402969 0.402969 Br\n0.097031 0.597031 0.902969 Br\n0.902969 0.097031 0.597031 Br\n0.597031 0.902969 0.097031 Br\n0.506665 0.282991 0.599967 O\n0.282991 0.599967 0.506665 O\n0.006665 0.217009 0.400033 O\n0.400033 0.006665 0.217009 O\n0.993335 0.717009 0.099967 O\n0.717009 0.099967 0.993335 O\n0.099967 0.993335 0.717009 O\n0.782991 0.900033 0.493335 O\n0.599967 0.506665 0.282991 O\n0.217009 0.400033 0.006665 O\n0.493335 0.782991 0.900033 O\n0.900033 0.493335 0.782991 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density": 3.356262731465375,
"density_atomic": 0.0669746928874178,
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"volume_molar": 8.991666106066386,
"formula_full": "Na4 Br4 O12",
"formula_reduced": "NaBrO3",
"formula_anonymous": "ABC3",
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"spacegroup": 198
},
{
"id": "jvasp-58993",
"created_at": "2022-09-04T14:36:59.587248Z",
"updated_at": "2022-09-04T14:36:59.587268Z",
"structure_string": "K12 Bi4 Te12\n1.0\n10.293207 -0.000000 0.000000\n-0.000000 10.293207 0.000000\n0.000000 0.000000 10.293207\nK Bi Te\n12 4 12\ndirect\n0.573584 0.573584 0.573584 K\n0.926417 0.426417 0.073583 K\n0.073583 0.926417 0.426417 K\n0.426417 0.073583 0.926417 K\n0.329582 0.329582 0.329582 K\n0.170418 0.670419 0.829582 K\n0.829582 0.170418 0.670419 K\n0.670419 0.829582 0.170418 K\n0.819061 0.819061 0.819061 K\n0.680939 0.180939 0.319061 K\n0.319061 0.680939 0.180939 K\n0.180939 0.319061 0.680939 K\n0.540292 0.459708 0.959708 Bi\n0.040292 0.040292 0.040292 Bi\n0.459708 0.959708 0.540292 Bi\n0.959708 0.540292 0.459708 Bi\n0.769485 0.121406 0.997793 Te\n0.730516 0.878595 0.497793 Te\n0.269485 0.378595 0.002207 Te\n0.121406 0.997793 0.769485 Te\n0.230515 0.621406 0.502207 Te\n0.502207 0.230515 0.621406 Te\n0.621406 0.502207 0.230515 Te\n0.878595 0.497793 0.730516 Te\n0.002207 0.269485 0.378595 Te\n0.378595 0.002207 0.269485 Te\n0.997793 0.769485 0.121406 Te\n0.497793 0.730516 0.878595 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Bi",
"Te"
],
"chemical_system": "Bi-K-Te",
"density": 4.318663101919831,
"density_atomic": 0.025674731544924754,
"volume": 1090.5664174523722,
"volume_molar": 23.455515978668238,
"formula_full": "K12 Bi4 Te12",
"formula_reduced": "K3BiTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0171302285714285,
"spacegroup": 198
},
{
"id": "jvasp-45328",
"created_at": "2022-09-04T14:37:02.298531Z",
"updated_at": "2022-09-04T14:37:02.298546Z",
"structure_string": "Na12 As4 Se12\n1.0\n8.876808 0.000000 -0.000000\n-0.000000 8.876808 -0.000000\n0.000000 0.000000 8.876808\nNa As Se\n12 4 12\ndirect\n0.823173 0.176828 0.676828 Na\n0.676828 0.823173 0.176828 Na\n0.176828 0.676828 0.823173 Na\n0.323173 0.323173 0.323173 Na\n0.186280 0.313720 0.686280 Na\n0.313720 0.686280 0.186280 Na\n0.686280 0.186280 0.313720 Na\n0.813721 0.813721 0.813721 Na\n0.417143 0.082858 0.917143 Na\n0.082858 0.917143 0.417143 Na\n0.917143 0.417143 0.082858 Na\n0.582858 0.582858 0.582858 Na\n0.530537 0.469463 0.969463 As\n0.969463 0.530537 0.469463 As\n0.469463 0.969463 0.530537 As\n0.030537 0.030537 0.030537 As\n0.269401 0.387273 0.000930 Se\n0.769401 0.112727 -0.000930 Se\n0.730599 0.887274 0.499071 Se\n0.112727 -0.000930 0.769401 Se\n0.499071 0.730599 0.887274 Se\n-0.000930 0.769401 0.112727 Se\n0.387273 0.000930 0.269401 Se\n0.000930 0.269401 0.387273 Se\n0.887274 0.499071 0.730599 Se\n0.612727 0.500930 0.230599 Se\n0.500930 0.230599 0.612727 Se\n0.230599 0.612727 0.500930 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"As",
"Se"
],
"chemical_system": "As-Na-Se",
"density": 3.61578308594545,
"density_atomic": 0.040030180831214464,
"volume": 699.4722336644143,
"volume_molar": 15.044000888709691,
"formula_full": "Na12 As4 Se12",
"formula_reduced": "Na3AsSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5898726928571429,
"spacegroup": 198
},
{
"id": "jvasp-59648",
"created_at": "2022-09-04T14:37:03.151187Z",
"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ir"
],
"chemical_system": "Ir-Mn-Si",
"density": 9.985973630084125,
"density_atomic": 0.07807626752710486,
"volume": 256.1597862379477,
"volume_molar": 7.713151448882159,
"formula_full": "Mn12 Si4 Ir4",
"formula_reduced": "Mn3SiIr",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.3360682848275856,
"spacegroup": 198
},
{
"id": "jvasp-49391",
"created_at": "2022-09-04T14:37:03.878048Z",
"updated_at": "2022-09-04T14:37:03.878062Z",
"structure_string": "Rb12 Sb4 Se12\n1.0\n10.128994 0.000000 -0.000000\n-0.000000 10.128994 0.000000\n0.000000 0.000000 10.128994\nRb Sb Se\n12 4 12\ndirect\n0.320366 0.320366 0.320366 Rb\n0.179633 0.679633 0.820366 Rb\n0.820366 0.179633 0.679633 Rb\n0.679633 0.820366 0.179633 Rb\n0.572586 0.572586 0.572586 Rb\n0.927413 0.427414 0.072586 Rb\n0.072586 0.927413 0.427414 Rb\n0.427414 0.072586 0.927413 Rb\n0.812487 0.812487 0.812487 Rb\n0.687512 0.187512 0.312488 Rb\n0.312488 0.687512 0.187512 Rb\n0.187512 0.312488 0.687512 Rb\n0.969865 0.530134 0.469865 Sb\n0.530134 0.469865 0.969865 Sb\n0.469865 0.969865 0.530134 Sb\n0.030134 0.030134 0.030134 Sb\n0.215220 0.605151 0.497123 Se\n0.497123 0.215220 0.605151 Se\n0.605151 0.497123 0.215220 Se\n0.894849 0.502877 0.715220 Se\n0.997123 0.284780 0.394849 Se\n0.394849 0.997123 0.284780 Se\n0.002877 0.784780 0.105151 Se\n0.502877 0.715220 0.894849 Se\n0.105151 0.002877 0.784780 Se\n0.715220 0.894849 0.502877 Se\n0.784780 0.105151 0.002877 Se\n0.284780 0.394849 0.997123 Se\n",
"nsites": 28,
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"elements": [
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"Sb",
"Se"
],
"chemical_system": "Rb-Sb-Se",
"density": 3.9311164561557597,
"density_atomic": 0.026943815112514733,
"volume": 1039.199529950556,
"volume_molar": 22.35073516817173,
"formula_full": "Rb12 Sb4 Se12",
"formula_reduced": "Rb3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3383066,
"spacegroup": 198
},
{
"id": "jvasp-8480",
"created_at": "2022-09-04T14:37:05.548332Z",
"updated_at": "2022-09-04T14:37:05.548356Z",
"structure_string": "Fe4 Ge4\n1.0\n4.674160 0.000000 -0.000000\n-0.000000 4.674160 -0.000000\n-0.000000 -0.000000 4.674160\nFe Ge\n4 4\ndirect\n0.133243 0.133243 0.133243 Fe\n0.366757 0.866757 0.633243 Fe\n0.633243 0.366757 0.866757 Fe\n0.866757 0.633243 0.366757 Fe\n0.840521 0.840521 0.840521 Ge\n0.659479 0.159479 0.340521 Ge\n0.340521 0.659479 0.159479 Ge\n0.159479 0.340521 0.659479 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge",
"density": 8.357007540661941,
"density_atomic": 0.07833922365978845,
"volume": 102.11998059544727,
"volume_molar": 7.6872612194281515,
"formula_full": "Fe4 Ge4",
"formula_reduced": "FeGe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3777907249999997,
"spacegroup": 198
},
{
"id": "jvasp-59773",
"created_at": "2022-09-04T14:37:05.764867Z",
"updated_at": "2022-09-04T14:37:05.764889Z",
"structure_string": "Mn12 Ge4 Ir4\n1.0\n6.575578 -0.000000 0.000000\n0.000000 6.575578 0.000000\n-0.000000 -0.000000 6.575578\nMn Ge Ir\n12 4 4\ndirect\n0.121743 0.205650 0.452811 Mn\n0.378258 0.794351 0.952811 Mn\n0.878258 0.705650 0.047189 Mn\n0.705650 0.047189 0.878258 Mn\n0.547189 0.621743 0.294350 Mn\n0.047189 0.878258 0.705650 Mn\n0.621743 0.294350 0.547189 Mn\n0.952811 0.378258 0.794351 Mn\n0.294350 0.547189 0.621743 Mn\n0.205650 0.452811 0.121743 Mn\n0.452811 0.121743 0.205650 Mn\n0.794351 0.952811 0.378258 Mn\n0.941288 0.558713 0.441287 Ge\n0.558713 0.441287 0.941288 Ge\n0.441287 0.941288 0.558713 Ge\n0.058713 0.058713 0.058713 Ge\n0.809393 0.309393 0.190607 Ir\n0.309393 0.190607 0.809393 Ir\n0.190607 0.809393 0.309393 Ir\n0.690607 0.690607 0.690607 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Mn",
"density": 10.037913908162624,
"density_atomic": 0.07034418371227935,
"volume": 284.31632786875,
"volume_molar": 8.560964733959619,
"formula_full": "Mn12 Ge4 Ir4",
"formula_reduced": "Mn3GeIr",
"formula_anonymous": "ABC3",
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"spacegroup": 198
},
{
"id": "jvasp-9441",
"created_at": "2022-09-04T14:37:06.530165Z",
"updated_at": "2022-09-04T14:37:06.530199Z",
"structure_string": "Ni4 As4 S4\n1.0\n5.728522 -0.000000 0.000000\n-0.000000 5.728522 0.000000\n0.000000 -0.000000 5.728522\nNi As S\n4 4 4\ndirect\n0.494155 0.505845 0.005845 Ni\n0.505845 0.005845 0.494155 Ni\n0.994155 0.994155 0.994155 Ni\n0.005845 0.494155 0.505845 Ni\n0.380000 0.120000 0.880000 As\n0.880000 0.380000 0.120000 As\n0.620000 0.620000 0.620000 As\n0.120000 0.880000 0.380000 As\n0.615602 0.884397 0.115603 S\n0.115603 0.615602 0.884397 S\n0.884397 0.115603 0.615602 S\n0.384397 0.384397 0.384397 S\n",
"nsites": 12,
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"elements": [
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"S"
],
"chemical_system": "As-Ni-S",
"density": 5.8539824856320894,
"density_atomic": 0.06383421031005669,
"volume": 187.98697346945127,
"volume_molar": 9.434033460661842,
"formula_full": "Ni4 As4 S4",
"formula_reduced": "NiAsS",
"formula_anonymous": "ABC",
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"spacegroup": 198
},
{
"id": "jvasp-8451",
"created_at": "2022-09-04T14:37:07.867558Z",
"updated_at": "2022-09-04T14:37:07.867586Z",
"structure_string": "Ge4 Rh4\n1.0\n4.974551 0.000000 -0.000000\n-0.000000 4.974551 -0.000000\n0.000000 -0.000000 4.974551\nGe Rh\n4 4\ndirect\n0.168020 0.331980 0.668020 Ge\n0.331980 0.668020 0.168020 Ge\n0.668020 0.168020 0.331980 Ge\n0.831980 0.831980 0.831980 Ge\n0.886070 0.613930 0.386070 Rh\n0.613930 0.386070 0.886070 Rh\n0.386070 0.886070 0.613930 Rh\n0.113930 0.113930 0.113930 Rh\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.471900490203035,
"density_atomic": 0.06498727456577111,
"volume": 123.1010232919294,
"volume_molar": 9.266646124550467,
"formula_full": "Ge4 Rh4",
"formula_reduced": "GeRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.0108644750000002,
"spacegroup": 198
},
{
"id": "jvasp-9414",
"created_at": "2022-09-04T14:37:09.465366Z",
"updated_at": "2022-09-04T14:37:09.465382Z",
"structure_string": "Zr4 S4 O4\n1.0\n5.739448 -0.000000 -0.000000\n0.000000 5.739448 0.000000\n0.000000 -0.000000 5.739448\nZr S O\n4 4 4\ndirect\n0.929476 0.570525 0.429476 Zr\n0.570525 0.429476 0.929476 Zr\n0.429476 0.929476 0.570525 Zr\n0.070524 0.070524 0.070524 Zr\n0.167466 0.667466 0.832534 S\n0.832534 0.167466 0.667466 S\n0.667466 0.832534 0.167466 S\n0.332534 0.332534 0.332534 S\n0.155542 0.844459 0.344458 O\n0.844459 0.344458 0.155542 O\n0.655542 0.655542 0.655542 O\n0.344458 0.155542 0.844459 O\n",
"nsites": 12,
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"elements": [
"Zr",
"S",
"O"
],
"chemical_system": "O-S-Zr",
"density": 4.893433175959238,
"density_atomic": 0.06347034655175353,
"volume": 189.06466802123472,
"volume_molar": 9.488117029721218,
"formula_full": "Zr4 S4 O4",
"formula_reduced": "ZrSO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.640479333333333,
"spacegroup": 198
},
{
"id": "jvasp-8178",
"created_at": "2022-09-04T14:37:11.381823Z",
"updated_at": "2022-09-04T14:37:11.381846Z",
"structure_string": "Fe4 Si4\n1.0\n4.467786 -0.000000 0.000000\n-0.000000 4.467786 -0.000000\n0.000000 0.000000 4.467786\nFe Si\n4 4\ndirect\n0.864609 0.635393 0.364608 Fe\n0.635393 0.364608 0.864609 Fe\n0.364608 0.864609 0.635393 Fe\n0.135392 0.135392 0.135392 Fe\n0.159629 0.340372 0.659629 Si\n0.340372 0.659629 0.159629 Si\n0.659629 0.159629 0.340372 Si\n0.840372 0.840372 0.840372 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.251033270610821,
"density_atomic": 0.08970422495772266,
"volume": 89.1819755844318,
"volume_molar": 6.713330127804145,
"formula_full": "Fe4 Si4",
"formula_reduced": "FeSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.97532705,
"spacegroup": 198
},
{
"id": "jvasp-43470",
"created_at": "2022-09-04T14:37:12.720181Z",
"updated_at": "2022-09-04T14:37:12.720206Z",
"structure_string": "Na12 Co4 O12\n1.0\n7.413195 0.000000 -0.000000\n-0.000000 7.413195 0.000000\n0.000000 -0.000000 7.413195\nNa Co O\n12 4 12\ndirect\n0.042070 0.042070 0.042070 Na\n0.204582 0.295418 0.704582 Na\n0.228501 0.728501 0.771500 Na\n0.271499 0.271499 0.271499 Na\n0.295418 0.704582 0.204582 Na\n0.457931 0.957931 0.542070 Na\n0.542070 0.457931 0.957931 Na\n0.704582 0.204582 0.295418 Na\n0.728501 0.771500 0.228501 Na\n0.771500 0.228501 0.728501 Na\n0.795419 0.795419 0.795419 Na\n0.957931 0.542070 0.457931 Na\n0.018490 0.518490 0.981511 Co\n0.481510 0.481510 0.481510 Co\n0.518490 0.981511 0.018490 Co\n0.981511 0.018490 0.518490 Co\n0.001235 0.226811 0.400489 O\n0.099512 0.998766 0.726812 O\n0.226811 0.400489 0.001235 O\n0.273189 0.599512 0.501235 O\n0.400489 0.001235 0.226811 O\n0.498765 0.773189 0.900489 O\n0.501235 0.273189 0.599512 O\n0.599512 0.501235 0.273189 O\n0.726812 0.099512 0.998766 O\n0.773189 0.900489 0.498765 O\n0.900489 0.498765 0.773189 O\n0.998766 0.726812 0.099512 O\n",
"nsites": 28,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 2.8678761422454597,
"density_atomic": 0.06872927439504392,
"volume": 407.3955420955104,
"volume_molar": 8.762118926770247,
"formula_full": "Na12 Co4 O12",
"formula_reduced": "Na3CoO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.1711654857142857,
"spacegroup": 198
}
]
}